 vasp.4.6.27 26Jun05 complex 
 executed on             LinuxIFC date 2012.08.27  14:41:04
 serial version


--------------------------------------------------------------------------------------------------------


 INCAR:
 POTCAR:   PAW_PBE Pt 05Jan2001                   
 POTCAR:   PAW_PBE H 15Jun2001                    
 POTCAR:   PAW_PBE C 08Apr2002                    
 POTCAR:   PAW_PBE Pt 05Jan2001                   
   VRHFIN =Pt: s1d9                                                             
   LEXCH  = PE                                                                  
   EATOM  =   729.1171 eV,   53.5886 Ry                                         
                                                                                
   TITEL  = PAW_PBE Pt 05Jan2001                                                
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    2.330    partial core radius                                     
   POMASS =  195.080; ZVAL   =   10.000    mass and valenz                      
   RCORE  =    2.500    outmost cutoff radius                                   
   RWIGS  =    2.750; RWIGS  =    1.455    wigner-seitz radius (au A)           
   ENMAX  =  230.283; ENMIN  =  172.712 eV                                      
   RCLOC  =    1.896    cutoff for local pot                                    
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  358.966                                                            
   DEXC   =    -.039                                                            
   RMAX   =    3.038    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    2.590    radius for radial grids                                 
   QCUT   =   -4.114; QGAM   =    8.228    optimization parameters              
                                                                                
   Description                                                                  
     l     E      TYP  RCUT    TYP  RCUT                                        
     2   .000     23  2.500                                                     
     2   .000     23  2.500                                                     
     0   .000     23  2.500                                                     
     0   .000     23  2.500                                                     
     1  -.200     23  2.500                                                     
     1  1.500     23  2.500                                                     
     3   .000      7   .000                                                     
  local pseudopotential read in
  partial core-charges read in
  atomic valenz-charges read in
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           6
   number of lm-projection operators is LMMAX =          18
 
 POTCAR:   PAW_PBE H 15Jun2001                    
   VRHFIN =H: ultrasoft test                                                    
   LEXCH  = PE                                                                  
   EATOM  =    12.4884 eV,     .9179 Ry                                         
                                                                                
   TITEL  = PAW_PBE H 15Jun2001                                                 
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        0    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =     .000    partial core radius                                     
   POMASS =    1.000; ZVAL   =    1.000    mass and valenz                      
   RCORE  =    1.100    outmost cutoff radius                                   
   RWIGS  =     .700; RWIGS  =     .370    wigner-seitz radius (au A)           
   ENMAX  =  250.000; ENMIN  =  200.000 eV                                      
   RCLOC  =     .701    cutoff for local pot                                    
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  400.000                                                            
   RMAX   =    2.174    core radius for proj-oper                               
   RAUG   =    1.200    factor for augmentation sphere                          
   RDEP   =    1.112    radius for radial grids                                 
   QCUT   =   -5.749; QGAM   =   11.498    optimization parameters              
                                                                                
   Description                                                                  
     l     E      TYP  RCUT    TYP  RCUT                                        
     0   .000     23  1.100                                                     
     0   .500     23  1.100                                                     
     1  -.300     23  1.100                                                     
  local pseudopotential read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           3
   number of lm-projection operators is LMMAX =           5
 
 POTCAR:   PAW_PBE C 08Apr2002                    
   VRHFIN =C: s2p2                                                              
   LEXCH  = PE                                                                  
   EATOM  =   147.1560 eV,   10.8157 Ry                                         
                                                                                
   TITEL  = PAW_PBE C 08Apr2002                                                 
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        0    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =     .000    partial core radius                                     
   POMASS =   12.011; ZVAL   =    4.000    mass and valenz                      
   RCORE  =    1.500    outmost cutoff radius                                   
   RWIGS  =    1.630; RWIGS  =     .863    wigner-seitz radius (au A)           
   ENMAX  =  400.000; ENMIN  =  300.000 eV                                      
   ICORE  =        2    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  644.873                                                            
   DEXC   =     .000                                                            
   RMAX   =    2.266    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    1.501    radius for radial grids                                 
   RDEPT  =    1.300    core radius for aug-charge                              
   QCUT   =   -5.516; QGAM   =   11.032    optimization parameters              
                                                                                
   Description                                                                  
     l     E      TYP  RCUT    TYP  RCUT                                        
     0   .000     23  1.200                                                     
     0   .000     23  1.200                                                     
     1   .000     23  1.500                                                     
     1  2.500     23  1.500                                                     
     2   .000      7  1.500                                                     
  local pseudopotential read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8
 
 Optimization of the real space projectors (new method)

 maximal supplied QI-value         = 15.12
 optimisation between [QCUT,QGAM] = [ 11.34, 28.57] = [ 36.00,228.61] Ry 
 Optimized for a Real-space Cutoff    1.41 Angstroem

   l    n(q)    QCUT    max X(q) W(low)/X(q) W(high)/X(q)  e(spline) 
   2     11    11.338     3.643    0.65E-05    0.36E-05    0.31E-06
   2     11    11.338    46.462    0.12E-03    0.24E-03    0.79E-05
   0     12    11.338    13.796    0.17E-04    0.31E-05    0.19E-06
   0     12    11.338    57.669    0.53E-04    0.56E-04    0.54E-05
   1     12    11.338     7.440    0.21E-04    0.40E-05    0.38E-06
   1     12    11.338    10.255    0.89E-04    0.25E-04    0.14E-05
 Optimization of the real space projectors (new method)

 maximal supplied QI-value         = 34.20
 optimisation between [QCUT,QGAM] = [ 11.29, 28.39] = [ 35.68,225.69] Ry 
 Optimized for a Real-space Cutoff    0.83 Angstroem

   l    n(q)    QCUT    max X(q) W(low)/X(q) W(high)/X(q)  e(spline) 
   0      7    11.287     4.436    0.56E-04    0.25E-04    0.12E-07
   0      7    11.287    16.131    0.35E-03    0.26E-04    0.83E-07
   1      6    11.287     4.654    0.14E-03    0.33E-03    0.23E-07
 Optimization of the real space projectors (new method)

 maximal supplied QI-value         = 25.13
 optimisation between [QCUT,QGAM] = [ 11.31, 28.40] = [ 35.82,225.87] Ry 
 Optimized for a Real-space Cutoff    0.93 Angstroem

   l    n(q)    QCUT    max X(q) W(low)/X(q) W(high)/X(q)  e(spline) 
   0      8    11.310     5.582    0.36E-04    0.13E-04    0.14E-07
   0      8    11.310    69.432    0.28E-03    0.21E-03    0.12E-06
   1      7    11.310     2.780    0.37E-04    0.49E-04    0.24E-07
   1      7    11.310     4.549    0.27E-03    0.38E-03    0.88E-07
 PAW_PBE Pt 05Jan2001                   :
 energy of atom  1       EATOM= -729.1171
 kinetic energy error for atom=    0.0039 (will be added to EATOM!!)
 PAW_PBE H 15Jun2001                    :
 energy of atom  2       EATOM=  -12.4884
 kinetic energy error for atom=    0.0020 (will be added to EATOM!!)
 PAW_PBE C 08Apr2002                    :
 energy of atom  3       EATOM= -147.1560
 kinetic energy error for atom=    0.0076 (will be added to EATOM!!)
 
 EXHCAR: internal setup
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000
 
 POSCAR: g55ptB_c_par                            
  positions in direct lattice
  velocities in cartesian coordinates
 


--------------------------------------------------------------------------------------------------------


 ion  position               nearest neighbor table
   1  0.433  0.567  0.614-   3 1.55   2 1.55  41 2.40  17 2.40
   2  0.391  0.609  0.677-   1 1.55
   3  0.475  0.525  0.677-   1 1.55
   4  1.000  0.000  0.496-  53 1.42  29 1.42  33 1.43
   5  1.000  0.200  0.496-  49 1.42  30 1.42  29 1.43
   6  1.000  0.400  0.497-  50 1.42  31 1.42  30 1.43
   7  1.000  0.600  0.497-  51 1.42  32 1.42  31 1.43
   8  1.000  0.800  0.497-  52 1.42  33 1.42  32 1.43
   9  0.200  0.000  0.497-  34 1.42  33 1.42  38 1.43
  10  0.200  0.200  0.496-  35 1.42  29 1.42  34 1.43
  11  0.199  0.399  0.497-  30 1.42  36 1.43  35 1.43
  12  0.200  0.600  0.498-  31 1.42  37 1.42  36 1.43
  13  0.200  0.800  0.497-  38 1.42  32 1.42  37 1.43
  14  0.400  0.000  0.497-  39 1.42  38 1.42  43 1.43
  15  0.400  0.200  0.497-  40 1.42  34 1.42  39 1.43
  16  0.400  0.399  0.499-  35 1.43  40 1.43  41 1.43
  17  0.400  0.600  0.499-  42 1.43  36 1.43  41 1.44   1 2.40
  18  0.400  0.800  0.498-  43 1.42  37 1.42  42 1.43
  19  0.600  0.000  0.497-  44 1.42  43 1.42  48 1.43
  20  0.600  0.200  0.497-  39 1.42  45 1.42  44 1.43
  21  0.600  0.400  0.498-  46 1.42  40 1.42  45 1.43
  22  0.601  0.600  0.499-  47 1.43  46 1.43  41 1.43
  23  0.601  0.801  0.497-  48 1.42  42 1.43  47 1.43
  24  0.800  0.000  0.496-  49 1.42  48 1.42  53 1.43
  25  0.800  0.200  0.496-  44 1.42  50 1.42  49 1.43
  26  0.800  0.400  0.497-  51 1.42  45 1.42  50 1.43
  27  0.800  0.600  0.497-  46 1.42  52 1.42  51 1.43
  28  0.800  0.800  0.496-  47 1.42  53 1.42  52 1.43
  29  0.067  0.133  0.496-   4 1.42  10 1.42   5 1.43
  30  0.067  0.333  0.496-  11 1.42   5 1.42   6 1.43
  31  0.067  0.533  0.497-  12 1.42   6 1.42   7 1.43
  32  0.067  0.733  0.497-   7 1.42  13 1.42   8 1.43
  33  0.067  0.933  0.496-   8 1.42   9 1.42   4 1.43
  34  0.267  0.133  0.497-   9 1.42  15 1.42  10 1.43
  35  0.266  0.333  0.497-  10 1.42  16 1.43  11 1.43
  36  0.266  0.533  0.499-  11 1.43  12 1.43  17 1.43
  37  0.267  0.733  0.498-  12 1.42  18 1.42  13 1.43
  38  0.267  0.933  0.497-  14 1.42  13 1.42   9 1.43
  39  0.467  0.133  0.497-  14 1.42  20 1.42  15 1.43
  40  0.467  0.333  0.498-  15 1.42  21 1.42  16 1.43
  41  0.467  0.533  0.499-  16 1.43  22 1.43  17 1.44   1 2.40
  42  0.467  0.734  0.499-  23 1.43  18 1.43  17 1.43
  43  0.467  0.933  0.497-  18 1.42  19 1.42  14 1.43
  44  0.667  0.133  0.497-  19 1.42  25 1.42  20 1.43
  45  0.667  0.333  0.497-  26 1.42  20 1.42  21 1.43
  46  0.667  0.533  0.498-  27 1.42  21 1.42  22 1.43
  47  0.667  0.734  0.497-  28 1.42  22 1.43  23 1.43
  48  0.667  0.933  0.496-  23 1.42  24 1.42  19 1.43
  49  0.867  0.133  0.496-   5 1.42  24 1.42  25 1.43
  50  0.867  0.333  0.497-   6 1.42  25 1.42  26 1.43
  51  0.867  0.533  0.497-   7 1.42  26 1.42  27 1.43
  52  0.867  0.733  0.497-   8 1.42  27 1.42  28 1.43
  53  0.867  0.933  0.496-   4 1.42  28 1.42  24 1.43
 
  LATTYP: Found a base centered orthorhombic cell.
 ALAT       =    12.3410242729
 B/A-ratio  =     1.7345143427
 C/A-ratio  =     1.6183909759
  
  Lattice vectors:
  
 A1 = (  12.3541890024,  -0.0075967776,   0.0000000000)
 A2 = (  -6.1836801477,  10.6952392013,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,  19.9726023169)
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

Analysis of symmetry for initial positions (statically):

 Routine SETGRP: Setting up the symmetry group for a 
 base centered orthorhombic supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of  8 trial point group operations.


The static configuration has the point symmetry C_1h.
 The point group associated with its full space group is C_2v.

Analysis of symmetry for dynamics (positions and initial velocities):

 Subroutine DYNSYM returns: Found  4 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of  4 trial space group operations
 (whereof  2 operations were pure point group operations)
 and found also     1 'primitive' translations


The dynamic configuration has the point symmetry C_1h.
 The point group associated with its full space group is C_2v.

Analysis of constrained symmetry for selective dynamics:

 Subroutine DYNSYM returns: Found  4 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of  4 trial space group operations
 (whereof  2 operations were pure point group operations)
 and found also     1 'primitive' translations


The constrained configuration has the point symmetry C_1h.
 The point group associated with its full space group is C_2v.

Analysis of magnetic symmetry:

 Subroutine MAGSYM returns: Found  4 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of  4 trial space group operations
 (whereof  2 operations were pure point group operations)
 and found also     1 'primitive' translations


The magnetic configuration has the point symmetry C_1h.
 The point group associated with its full space group is C_2v.
 
 
 KPOINTS: K-Points                                

Automatic generation of k-mesh.
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found      9 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.200000  0.000000  0.000000      4.000000
  0.400000  0.000000  0.000000      4.000000
  0.200000  0.200000  0.000000      2.000000
  0.400000  0.200000  0.000000      4.000000
 -0.400000  0.200000  0.000000      4.000000
 -0.200000  0.200000  0.000000      2.000000
  0.400000  0.400000  0.000000      2.000000
 -0.400000  0.400000  0.000000      2.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.016195  0.009363  0.000000      4.000000
  0.032389  0.018727  0.000000      4.000000
  0.016206  0.028070  0.000000      2.000000
  0.032401  0.037433  0.000000      4.000000
 -0.032378 -0.000020  0.000000      4.000000
 -0.016183  0.009343  0.000000      2.000000
  0.032412  0.056140  0.000000      2.000000
 -0.032366  0.018687  0.000000      2.000000
 
 TETIRR: Found     39 inequivalent tetrahedra from      150


--------------------------------------------------------------------------------------------------------




 Dimension of arrays:
   k-Points           NKPTS =      9   number of bands    NBANDS=    160
   number of dos      NEDOS =    301   number of ions     NIONS =     53
   non local maximal  LDIM  =      6   non local SUM 2l+1 LMDIM =     18
   total plane-waves  NPLWV = ******
   max r-space proj   IRMAX =   5439   max aug-charges    IRDMAX=  12798
   dimension x,y,z NGX =    90 NGY =   90 NGZ =  150
   dimension x,y,z NGXF=   140 NGYF=  140 NGZF=  224
   support grid    NGXF=   140 NGYF=  140 NGZF=  224
   ions per type =               1   2  50
 NGX,Y,Z   is equivalent  to a cutoff of  12.11, 12.11, 12.49 a.u.
 NGXF,Y,Z  is equivalent  to a cutoff of  18.84, 18.84, 18.65 a.u.


 I would recommend the setting:
   dimension x,y,z NGX =    90 NGY =   90 NGZ =  146
 SYSTEM =  g55pt                                   
 POSCAR =  g55ptB_c_par                            

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = high      medium, high low
   ISTART =      1    job   : 0-new  1-cont  2-samecut
   ICHARG =      0    charge: 1-file 2-atom 10-const
   ISPIN  =      2    spin polarized calculation?
   LNONCOLLINEAR =      F non collinear calculations
   LSORBIT =      F    spin-orbit coupling
   INIWAV =      1    electr: 0-lowe 1-rand  2-diag
   LASPH  =      F    aspherical Exc in radial PAW
   METAGGA=      F    non-selfconsistent MetaGGA calc.

 Electronic Relaxation 1
   ENCUT  =  500.0 eV  36.75 Ry    6.06 a.u.  22.52 22.52 36.41*2*pi/ulx,y,z
   ENINI  =  500.0     initial cutoff
   ENAUG  =  644.9 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  2; NELMDL=  0     # of ELM steps 
   EDIFF  = 0.1E-03   stopping-criterion for ELM
   LREAL  =      T    real-space projection
   LCOMPAT=      F    compatible to vasp.4.4
   LREAL_COMPAT= F    compatible to vasp.4.5.1-3
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    2 max onsite mixed and CHGCAR
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   ROPT   =   -0.00040  -0.00040  -0.00040
 Ionic relaxation
   EDIFFG = -.1E-01   stopping-criterion for IOM
   NSW    =    200    number of steps for IOM
   NBLOCK =      1;   KBLOCK =    200    inner block; outer block 
   IBRION =      2    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      1    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      4    stress and relaxation
   IWAVPR =     11    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      2    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  =   0.50    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps =****** mass=  -0.349E-26a.u.
   NPACO  =    256;   APACO  = 16.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS = 195.08  1.00 12.01
  Ionic Valenz
   ZVAL   =  10.00  1.00  4.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00 -1.00 -1.00
   NELECT =     212.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

 DOS related values:
   EMIN   =  10.00;   EMAX   =-10.00  energy-range for DOS
   ISMEAR =    -5;   SIGMA  =   0.20  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     38    algorithm
   LDIAG  =      T    sub-space diagonalisation
   IMIX   =      4    mixing-type and parameters
     AMIX     =   0.40;   BMIX     =  1.00
     AMIX_MAG =   1.60;   BMIX_MAG =  1.00
     AMIN     =   0.10
     WC   =   100.;   INIMIX=   1;  MIXPRE=   1

 Intra band minimization:
   WEIMIN = 0.0010     energy-eigenvalue tresh-hold
   EBREAK =  0.16E-06  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.10     timestep for ELM

  volume/ion in A,a.u.               =      49.77       335.90
  Fermi-wavevector in a.u.,eV,Ry     =   0.706467  6.790606  0.499095

 Second variation
   LSECVAR=     F    do a second variation
 
 Write flags
   LWAVE  =      T    write WAVECAR
   LCHARG =      T    write CHGCAR
   LVTOT  =      F    write LOCPOT, local potential
   LELF   =      F    write electronic localiz. function (ELF)
   LORBIT =     11    0 simple, 1 ext, 2 COOP (PROOUT)


 Dipole corrections
   IDIPOL =      0    1-x, 2-y, 3-z
   LDIPOL =      F    correct potential



--------------------------------------------------------------------------------------------------------


 conjugate gradient relaxation of ions
   using selective dynamics as specified on POSCAR
 charge density will be updated during run
 spin polarized calculation
 Variant of blocked Davidson
 Davidson routine will perform the subspace rotation
 performe sub-space diagonalisation
    after iterative eigenvector-optimisation
 modified Broyden-mixing scheme, WC =      100.0
 initial mixing is a Kerker type mixing with AMIX =  0.4000 and BMIX =      1.0000
 Hartree-type preconditioning will be used
 using additional bands           54
 real space projection scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces 
   (improved forces if not selfconsistent)
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Fermi weights with tetrahedron method with Bloechl corrections


--------------------------------------------------------------------------------------------------------


  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.354189002 -0.007596778  0.000000000     0.080972992  0.046816259  0.000000000
    -6.183680148 10.695239201  0.000000000     0.000057515  0.093532798  0.000000000
     0.000000000  0.000000000 19.972602317     0.000000000  0.000000000  0.050068588

  length of vectors
    12.354191338 12.354191262 19.972602317     0.093532816  0.093532816  0.050068588


 
 old parameters found on file WAVECAR:
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.353805363 -0.005178996  0.000000000     0.080966334  0.046791270  0.000000000
    -6.181394468 10.696115850  0.000000000     0.000039203  0.093514538  0.000000000
     0.000000000  0.000000000 19.969323162     0.000000000  0.000000000  0.050076810

  length of vectors

 
 k-points in units of 2pi/SCALE and weight: K-Points                                
   0.00000000  0.00000000  0.00000000       0.040
   0.01619460  0.00936325  0.00000000       0.160
   0.03238920  0.01872650  0.00000000       0.160
   0.01620610  0.02806981  0.00000000       0.080
   0.03240070  0.03743306  0.00000000       0.160
  -0.03237769 -0.00001994  0.00000000       0.160
  -0.01618310  0.00934331  0.00000000       0.080
   0.03241220  0.05613962  0.00000000       0.080
  -0.03236619  0.01868662  0.00000000       0.080
 
 k-points in reciprocal lattice and weights: K-Points                                
   0.00000000  0.00000000  0.00000000       0.040
   0.20000000  0.00000000  0.00000000       0.160
   0.40000000  0.00000000  0.00000000       0.160
   0.20000000  0.20000000  0.00000000       0.080
   0.40000000  0.20000000  0.00000000       0.160
  -0.40000000  0.20000000  0.00000000       0.160
  -0.20000000  0.20000000  0.00000000       0.080
   0.40000000  0.40000000  0.00000000       0.080
  -0.40000000  0.40000000  0.00000000       0.080
 
 position of ions in fractional coordinates (direct lattice) 
   0.43333334  0.56666669  0.61353196
   0.39135626  0.60864386  0.67658794
   0.47531041  0.52468953  0.67658794
   0.99996764  0.00003236  0.49587307
   0.99986268  0.19988986  0.49581183
   0.99985257  0.40001810  0.49681651
   0.99992758  0.60004886  0.49721058
   0.99998131  0.80003877  0.49672483
   0.19996125  0.00001869  0.49672483
   0.19983573  0.19988170  0.49629108
   0.19941526  0.39946431  0.49692929
   0.19965109  0.60008078  0.49802336
   0.19994819  0.80005182  0.49728716
   0.39995117  0.00007242  0.49721058
   0.39989852  0.19985069  0.49736221
   0.39960144  0.39923376  0.49876644
   0.39964886  0.60035117  0.49908296
   0.39991925  0.80034893  0.49802336
   0.59998193  0.00014743  0.49681651
   0.59993834  0.20004542  0.49712882
   0.59999180  0.40000823  0.49775533
   0.60076627  0.60039859  0.49876644
   0.60053572  0.80058475  0.49692929
   0.80011015  0.00013732  0.49581183
   0.79995172  0.20004830  0.49636968
   0.79995459  0.40006169  0.49712882
   0.80014933  0.60010151  0.49736221
   0.80011832  0.80016429  0.49629108
   0.06655653  0.13319602  0.49581183
   0.06654836  0.33316907  0.49629108
   0.06651736  0.53323188  0.49736221
   0.06671209  0.73327166  0.49712882
   0.06671497  0.93328504  0.49636968
   0.26668477  0.13318591  0.49681651
   0.26613099  0.33274860  0.49692929
   0.26590043  0.53293479  0.49876644
   0.26667491  0.73332512  0.49775533
   0.26672837  0.93328792  0.49712882
   0.46671550  0.13326092  0.49721058
   0.46674742  0.33298443  0.49802336
   0.46701781  0.53298222  0.49908296
   0.46706524  0.73409960  0.49876644
   0.46676815  0.93348265  0.49736221
   0.66670544  0.13331465  0.49672483
   0.66671850  0.33328153  0.49728716
   0.66701560  0.53325261  0.49802336
   0.66725143  0.73386904  0.49692929
   0.66683096  0.93345164  0.49629108
   0.86669903  0.13330098  0.49587307
   0.86668536  0.33329459  0.49672483
   0.86673910  0.53328453  0.49721058
   0.86681411  0.73331526  0.49681651
   0.86680400  0.93344348  0.49581183
 
 position of ions in cartesian coordinates  (Angst):
   1.84939638  6.05734389 12.25382992
   1.07123026  6.50661862 13.51322196
   2.62756249  5.60806915 13.51322196
  12.35358917 -0.00725047  9.90387563
  11.11643752  2.13027418  9.90265247
   9.87878362  4.27069356  9.92271861
   8.64278408  6.41006986  9.93058926
   7.40677429  8.54900934  9.92088752
   2.47024350 -0.00131919  9.92088752
   1.23280389  2.13626444  9.91222446
  -0.00654572  4.27085147  9.92497102
  -1.24418034  6.41649076  9.94682244
  -2.47706677  8.55522663  9.93211869
   4.94062452 -0.00226378  9.93058926
   3.70460918  2.13441298  9.93361754
   2.46801784  4.26686485  9.96166378
   1.22495796  6.41786331  9.96798552
  -0.00842376  8.55688514  9.94682244
   7.41137853 -0.00298109  9.92271861
   6.17473468  2.13497606  9.92895623
   4.93888914  4.27362570  9.94146927
   3.70930723  6.41684266  9.96166378
   2.46857170  8.55788331  9.92497102
   9.88386287 -0.00460957  9.90265247
   8.64572000  2.13348735  9.91379413
   7.40893666  4.27267843  9.92895623
   6.17436022  6.41215062  9.93361754
   4.93685293  8.55187012  9.91222446
  -0.00138961  1.42405766  9.90265247
  -1.23805991  3.56281733  9.91222446
  -2.47556738  5.70253715  9.93361754
  -3.71014364  7.84200902  9.92895623
  -4.94692689  9.98119994  9.91379413
   2.47109501  1.42242918  9.92271861
   1.23022161  3.55680414  9.92497102
  -0.01051410  5.69784511  9.96166378
  -1.24009583  7.84106175  9.94146927
  -2.47594128  9.97971123  9.92895623
   4.94184865  1.42171187  9.93058926
   3.70721669  3.55780231  9.94682244
   2.47383479  5.69682446  9.96798552
   1.23077510  7.84782260  9.96166378
  -0.00581615  9.98027431  9.93361754
   7.41222986  1.42076728  9.92088752
   6.17585989  3.55946082  9.93211869
   4.94297328  5.69819702  9.94682244
   3.70533885  7.84383599  9.92497102
   2.46598932  9.97842285  9.91222446
   9.88307301  1.41910178  9.90387563
   8.64620765  3.55808134  9.92088752
   7.41019767  5.69702114  9.93058926
   6.17419832  7.83639711  9.92271861
   4.93654451  9.97681634  9.90265247
 


--------------------------------------------------------------------------------------------------------


 k-point  1 :  0.00000.00000.0000  plane waves:  66977
 k-point  2 :  0.20000.00000.0000  plane waves:  67026
 k-point  3 :  0.40000.00000.0000  plane waves:  66981
 k-point  4 :  0.20000.20000.0000  plane waves:  66963
 k-point  5 :  0.40000.20000.0000  plane waves:  66934
 k-point  6 :  -.40000.20000.0000  plane waves:  66964
 k-point  7 :  -.20000.20000.0000  plane waves:  67051
 k-point  8 :  0.40000.40000.0000  plane waves:  66946
 k-point  9 :  -.40000.40000.0000  plane waves:  66977

 maximum number of plane-waves:  67051
 maximal index in each direction: 
   IXMAX= 22   IYMAX= 22   IZMAX= 36
   IXMIN=-22   IYMIN=-22   IZMIN=-36

 NGX is ok and might be reduce to  90
 NGY is ok and might be reduce to  90
 NGZ is ok and might be reduce to 146
 For storing wavefunctions 3086.43 MBYTES are necessary
 For predicting wavefunctions  776.34 MBYTES are necessary
Broyden mixing: mesh for mixing (old mesh)
   NGX = 45   NGY = 45   NGZ = 73
  (NGX  =140   NGY  =140   NGZ  =224)
 gives a total of 147825 points
 charge density for first step will be calculated from the start-wavefunctions


--------------------------------------------------------------------------------------------------------


 Maximum index for non-local projection operator         5235
 Maximum index for augmentation-charges        12228 (set IRDMAX)


--------------------------------------------------------------------------------------------------------


 initial charge from wavefunction
 First call to EWALD:  gamma=   0.128
 Maximum number of real-space cells 3x 3x 2
 Maximum number of reciprocal cells 3x 3x 4

    FEWALD:  VPU time    0.01: CPU time    0.01


----------------------------------------- Iteration    1(   1)  ---------------------------------------


    POTLOK:  VPU time    7.77: CPU time    7.77
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1532.70: CPU time  781.60
 BZINTS: Fermi energy: -3.115678;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.69: CPU time   45.69
    MIXING:  VPU time    0.14: CPU time    0.13
    ------------------------------------------
      LOOP:  VPU time 1631.65: CPU time  835.51

 eigenvalue-minimisations  :  6384
 total energy-change (2. order) :-0.4705640E+03  (-0.3744063E+02)
 number of electron  212.0000059 magnetization    0.0000000
 augmentation part     7.9177306 magnetization    0.0000005

 Broyden mixing:
  rms(total) = 0.36823E-01    rms(broyden)= 0.36799E-01
  rms(prec ) = 0.39868E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34047.69941277
  -1/2 Hartree   DENC   =    -40937.93902516
  -V(xc)+E(xc)   XCENC  =       726.42779380
  PAW double counting   =      4074.53170973    -4113.22801960
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2473.49576854
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -470.56404341 eV

  energy without entropy =     -470.56404341  energy(sigma->0) =     -470.56404341


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   2)  ---------------------------------------


    POTLOK:  VPU time    7.74: CPU time    7.74
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1609.50: CPU time  820.78
 BZINTS: Fermi energy: -3.196811;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.71: CPU time   45.98
    MIXING:  VPU time    0.13: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1708.43: CPU time  874.97

 eigenvalue-minimisations  :  6848
 total energy-change (2. order) :-0.1122465E+01  (-0.1124425E+01)
 number of electron  212.0000059 magnetization    0.0000000
 augmentation part     7.9462813 magnetization    0.0000002

 Broyden mixing:
  rms(total) = 0.23817E-01    rms(broyden)= 0.23791E-01
  rms(prec ) = 0.25074E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.6572
  0.6572

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34047.69941277
  -1/2 Hartree   DENC   =    -40934.99563097
  -V(xc)+E(xc)   XCENC  =       726.29335325
  PAW double counting   =      4075.57265815    -4114.05515330
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2477.64100205
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.68650854 eV

  energy without entropy =     -471.68650854  energy(sigma->0) =     -471.68650854


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   3)  ---------------------------------------


    POTLOK:  VPU time    7.72: CPU time    7.73
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1897.73: CPU time  968.02
 BZINTS: Fermi energy: -3.170835;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.81: CPU time   46.82
    MIXING:  VPU time    0.15: CPU time    0.15
    ------------------------------------------
      LOOP:  VPU time 1996.77: CPU time 1023.03

 eigenvalue-minimisations  :  8448
 total energy-change (2. order) :-0.3530429E-01  (-0.3600161E-01)
 number of electron  212.0000059 magnetization    0.0000000
 augmentation part     7.9549084 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.16933E-01    rms(broyden)= 0.16929E-01
  rms(prec ) = 0.17815E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1918
  1.1918  1.1918

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34047.69941277
  -1/2 Hartree   DENC   =    -40935.81507955
  -V(xc)+E(xc)   XCENC  =       726.33921856
  PAW double counting   =      4079.93739615    -4118.38327497
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2476.93933939
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72181283 eV

  energy without entropy =     -471.72181283  energy(sigma->0) =     -471.72181283


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   4)  ---------------------------------------


    POTLOK:  VPU time    7.74: CPU time    7.74
    SETDIJ:  VPU time    0.29: CPU time    0.28
    EDDAV :  VPU time 1629.96: CPU time  831.42
 BZINTS: Fermi energy: -3.139974;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.61: CPU time   45.65
    MIXING:  VPU time    0.16: CPU time    0.15
    ------------------------------------------
      LOOP:  VPU time 1728.82: CPU time  885.29

 eigenvalue-minimisations  :  6960
 total energy-change (2. order) :-0.8302376E-04  (-0.7383252E-03)
 number of electron  212.0000059 magnetization    0.0000000
 augmentation part     7.9547831 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.66292E-02    rms(broyden)= 0.66291E-02
  rms(prec ) = 0.69443E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3947
  2.2883  0.9479  0.9479

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34047.69941277
  -1/2 Hartree   DENC   =    -40937.37164837
  -V(xc)+E(xc)   XCENC  =       726.41267050
  PAW double counting   =      4086.28817699    -4124.69327421
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2475.49708713
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72189585 eV

  energy without entropy =     -471.72189585  energy(sigma->0) =     -471.72189585


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   5)  ---------------------------------------


    POTLOK:  VPU time    7.74: CPU time    7.74
    SETDIJ:  VPU time    0.29: CPU time    0.28
    EDDAV :  VPU time 1572.77: CPU time  801.51
 BZINTS: Fermi energy: -3.145928;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1580.86: CPU time  809.57

 eigenvalue-minimisations  :  6648
 total energy-change (2. order) : 0.1760212E-04  (-0.6313291E-04)
 number of electron  212.0000059 magnetization    0.0000000
 augmentation part     7.9547831 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34047.69941277
  -1/2 Hartree   DENC   =    -40938.36916530
  -V(xc)+E(xc)   XCENC  =       726.45877751
  PAW double counting   =      4090.83757957    -4129.19756804
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.59076835
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72187825 eV

  energy without entropy =     -471.72187825  energy(sigma->0) =     -471.72187825


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2241       2 -39.5332       3 -39.5332       4 -58.3180       5 -58.3211
       6 -58.3235       7 -58.3171       8 -58.3183       9 -58.3183      10 -58.3245
      11 -58.3905      12 -58.3534      13 -58.3260      14 -58.3171      15 -58.3275
      16 -58.5452      17 -58.7306      18 -58.3535      19 -58.3235      20 -58.3221
      21 -58.3589      22 -58.5453      23 -58.3905      24 -58.3211      25 -58.3265
      26 -58.3221      27 -58.3275      28 -58.3245      29 -58.3209      30 -58.3244
      31 -58.3274      32 -58.3220      33 -58.3264      34 -58.3234      35 -58.3904
      36 -58.5452      37 -58.3588      38 -58.3220      39 -58.3170      40 -58.3533
      41 -58.7305      42 -58.5452      43 -58.3274      44 -58.3182      45 -58.3258
      46 -58.3533      47 -58.3905      48 -58.3244      49 -58.3178      50 -58.3182
      51 -58.3170      52 -58.3235      53 -58.3210
 
 
 
 E-fermi :  -3.1459     XC(G=0):  -2.3557     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4214      1.00000
      2     -21.5986      1.00000
      3     -21.4774      1.00000
      4     -21.4677      1.00000
      5     -21.4368      1.00000
      6     -21.4350      1.00000
      7     -21.4251      1.00000
      8     -19.7037      1.00000
      9     -19.6510      1.00000
     10     -19.6225      1.00000
     11     -19.6176      1.00000
     12     -19.6089      1.00000
     13     -19.6078      1.00000
     14     -18.7857      1.00000
     15     -18.7570      1.00000
     16     -18.7280      1.00000
     17     -18.7194      1.00000
     18     -18.7186      1.00000
     19     -18.7087      1.00000
     20     -16.6258      1.00000
     21     -16.6223      1.00000
     22     -16.5946      1.00000
     23     -16.5690      1.00000
     24     -16.5545      1.00000
     25     -16.5452      1.00000
     26     -15.6100      1.00000
     27     -15.6065      1.00000
     28     -15.5933      1.00000
     29     -15.5710      1.00000
     30     -15.5685      1.00000
     31     -15.5381      1.00000
     32     -14.2579      1.00000
     33     -14.2480      1.00000
     34     -14.2398      1.00000
     35     -14.2356      1.00000
     36     -14.2199      1.00000
     37     -14.2170      1.00000
     38     -11.8985      1.00000
     39     -11.8880      1.00000
     40     -11.8860      1.00000
     41     -11.8554      1.00000
     42     -11.8478      1.00000
     43     -11.8356      1.00000
     44     -11.7686      1.00000
     45     -11.7648      1.00000
     46     -11.7342      1.00000
     47     -11.7268      1.00000
     48     -11.7215      1.00000
     49     -11.7211      1.00000
     50     -10.6728      1.00000
     51     -10.3920      1.00000
     52     -10.3847      1.00000
     53     -10.3830      1.00000
     54     -10.3639      1.00000
     55     -10.3479      1.00000
     56     -10.3466      1.00000
     57      -9.9011      1.00000
     58      -9.4493      1.00000
     59      -9.4014      1.00000
     60      -9.3599      1.00000
     61      -9.3578      1.00000
     62      -9.3503      1.00000
     63      -9.1429      1.00000
     64      -9.1232      1.00000
     65      -9.1182      1.00000
     66      -9.0873      1.00000
     67      -9.0725      1.00000
     68      -9.0714      1.00000
     69      -9.0688      1.00000
     70      -9.0673      1.00000
     71      -9.0606      1.00000
     72      -9.0405      1.00000
     73      -9.0277      1.00000
     74      -9.0268      1.00000
     75      -8.1258      1.00000
     76      -7.7527      1.00000
     77      -7.4729      1.00000
     78      -7.4647      1.00000
     79      -7.4564      1.00000
     80      -7.4356      1.00000
     81      -7.4218      1.00000
     82      -7.4059      1.00000
     83      -7.3065      1.00000
     84      -7.2741      1.00000
     85      -7.2539      1.00000
     86      -7.2478      1.00000
     87      -7.1444      1.00000
     88      -7.0510      1.00000
     89      -6.4419      1.00000
     90      -6.4079      1.00000
     91      -6.3922      1.00000
     92      -6.3728      1.00000
     93      -6.3598      1.00000
     94      -6.3379      1.00000
     95      -5.9819      1.00000
     96      -5.9389      1.00000
     97      -4.8040      1.00000
     98      -4.5480      1.00000
     99      -4.5004      1.00000
    100      -4.4661      1.00000
    101      -4.3955      1.00000
    102      -4.3757      1.00000
    103      -4.2644      1.00000
    104      -4.1883      1.00000
    105      -3.7415      1.00000
    106      -3.4811      1.00000
    107      -1.8767      0.00000
    108      -1.6581      0.00000
    109      -1.6264      0.00000
    110      -1.6044      0.00000
    111      -1.5819      0.00000
    112      -1.5668      0.00000
    113      -0.4348      0.00000
    114       0.1496      0.00000
    115       0.1831      0.00000
    116       0.2458      0.00000
    117       0.2649      0.00000
    118       0.2716      0.00000
    119       0.4739      0.00000
    120       0.5439      0.00000
    121       1.2467      0.00000
    122       1.2904      0.00000
    123       1.5281      0.00000
    124       1.7612      0.00000
    125       1.7614      0.00000
    126       1.7650      0.00000
    127       1.7903      0.00000
    128       1.8235      0.00000
    129       1.9415      0.00000
    130       1.9679      0.00000
    131       1.9749      0.00000
    132       1.9781      0.00000
    133       1.9942      0.00000
    134       2.0768      0.00000
    135       2.2529      0.00000
    136       2.3490      0.00000
    137       2.5858      0.00000
    138       2.5962      0.00000
    139       2.6056      0.00000
    140       2.7234      0.00000
    141       2.9343      0.00000
    142       3.0517      0.00000
    143       3.0605      0.00000
    144       3.0636      0.00000
    145       3.0655      0.00000
    146       3.0765      0.00000
    147       3.0924      0.00000
    148       3.2713      0.00000
    149       3.4352      0.00000
    150       3.5089      0.00000
    151       3.8372      0.00000
    152       3.9373      0.00000
    153       3.9431      0.00000
    154       3.9581      0.00000
    155       3.9689      0.00000
    156       3.9994      0.00000
    157       4.1852      0.00000
    158       4.2591      0.00000
    159       4.2728      0.00000
    160       4.2760      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3847      1.00000
      2     -21.8256      1.00000
      3     -21.6339      1.00000
      4     -21.6062      1.00000
      5     -21.2706      1.00000
      6     -21.2309      1.00000
      7     -21.0516      1.00000
      8     -20.1635      1.00000
      9     -20.1248      1.00000
     10     -19.6074      1.00000
     11     -19.5959      1.00000
     12     -19.4115      1.00000
     13     -19.0851      1.00000
     14     -19.0618      1.00000
     15     -19.0440      1.00000
     16     -19.0368      1.00000
     17     -18.3623      1.00000
     18     -18.3482      1.00000
     19     -18.0118      1.00000
     20     -17.0629      1.00000
     21     -17.0232      1.00000
     22     -16.9548      1.00000
     23     -16.9304      1.00000
     24     -16.4792      1.00000
     25     -16.4634      1.00000
     26     -15.6157      1.00000
     27     -15.5970      1.00000
     28     -15.2471      1.00000
     29     -15.2299      1.00000
     30     -15.1847      1.00000
     31     -15.1024      1.00000
     32     -15.0725      1.00000
     33     -14.6987      1.00000
     34     -14.6926      1.00000
     35     -13.7242      1.00000
     36     -13.7211      1.00000
     37     -13.2351      1.00000
     38     -12.6221      1.00000
     39     -12.5848      1.00000
     40     -12.4528      1.00000
     41     -12.4491      1.00000
     42     -12.1022      1.00000
     43     -12.0966      1.00000
     44     -11.7159      1.00000
     45     -11.6846      1.00000
     46     -11.2472      1.00000
     47     -11.2255      1.00000
     48     -11.0155      1.00000
     49     -11.0065      1.00000
     50     -10.9237      1.00000
     51     -10.8984      1.00000
     52     -10.6278      1.00000
     53     -10.1602      1.00000
     54     -10.1567      1.00000
     55     -10.0937      1.00000
     56      -9.9960      1.00000
     57      -9.7020      1.00000
     58      -9.6881      1.00000
     59      -9.6481      1.00000
     60      -9.5951      1.00000
     61      -9.5736      1.00000
     62      -9.5599      1.00000
     63      -9.3059      1.00000
     64      -9.2998      1.00000
     65      -9.2723      1.00000
     66      -9.2378      1.00000
     67      -9.1341      1.00000
     68      -9.1143      1.00000
     69      -9.1108      1.00000
     70      -8.9352      1.00000
     71      -8.8731      1.00000
     72      -8.6010      1.00000
     73      -8.5875      1.00000
     74      -8.2334      1.00000
     75      -8.1067      1.00000
     76      -7.9137      1.00000
     77      -7.8622      1.00000
     78      -7.7747      1.00000
     79      -7.7525      1.00000
     80      -7.6864      1.00000
     81      -7.5646      1.00000
     82      -7.3470      1.00000
     83      -7.3272      1.00000
     84      -7.2049      1.00000
     85      -7.1247      1.00000
     86      -7.0269      1.00000
     87      -7.0078      1.00000
     88      -6.6996      1.00000
     89      -6.6815      1.00000
     90      -6.6353      1.00000
     91      -6.5998      1.00000
     92      -6.1318      1.00000
     93      -6.0536      1.00000
     94      -6.0276      1.00000
     95      -6.0171      1.00000
     96      -5.7739      1.00000
     97      -4.9691      1.00000
     98      -4.8457      1.00000
     99      -4.7454      1.00000
    100      -4.6713      1.00000
    101      -4.4697      1.00000
    102      -4.2053      1.00000
    103      -4.1908      1.00000
    104      -4.1271      1.00000
    105      -3.7331      1.00000
    106      -3.4917      1.00000
    107      -1.8778      0.00000
    108      -1.7924      0.00000
    109      -1.5359      0.00000
    110      -1.3673      0.00000
    111      -1.3331      0.00000
    112      -1.2954      0.00000
    113      -0.7301      0.00000
    114      -0.3838      0.00000
    115      -0.2446      0.00000
    116       0.0325      0.00000
    117       0.5532      0.00000
    118       0.6997      0.00000
    119       0.7414      0.00000
    120       1.0484      0.00000
    121       1.0822      0.00000
    122       1.1490      0.00000
    123       1.2219      0.00000
    124       1.3721      0.00000
    125       1.5178      0.00000
    126       1.5708      0.00000
    127       1.7082      0.00000
    128       1.8111      0.00000
    129       1.8547      0.00000
    130       1.8796      0.00000
    131       2.0881      0.00000
    132       2.1816      0.00000
    133       2.2325      0.00000
    134       2.2948      0.00000
    135       2.5092      0.00000
    136       2.5761      0.00000
    137       2.6263      0.00000
    138       2.7735      0.00000
    139       2.7878      0.00000
    140       2.8133      0.00000
    141       2.8486      0.00000
    142       2.8890      0.00000
    143       2.9376      0.00000
    144       3.0612      0.00000
    145       3.1496      0.00000
    146       3.2914      0.00000
    147       3.3702      0.00000
    148       3.4174      0.00000
    149       3.4650      0.00000
    150       3.6051      0.00000
    151       3.6378      0.00000
    152       3.6591      0.00000
    153       3.7125      0.00000
    154       3.9058      0.00000
    155       3.9457      0.00000
    156       4.0083      0.00000
    157       4.0508      0.00000
    158       4.2351      0.00000
    159       4.2496      0.00000
    160       4.2667      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2787      1.00000
      2     -22.0730      1.00000
      3     -21.7125      1.00000
      4     -21.6807      1.00000
      5     -20.9753      1.00000
      6     -20.9345      1.00000
      7     -20.6075      1.00000
      8     -20.5705      1.00000
      9     -20.5640      1.00000
     10     -20.0271      1.00000
     11     -19.5023      1.00000
     12     -19.4900      1.00000
     13     -19.3065      1.00000
     14     -19.2991      1.00000
     15     -18.4431      1.00000
     16     -18.4054      1.00000
     17     -17.9244      1.00000
     18     -17.9090      1.00000
     19     -17.7564      1.00000
     20     -17.7196      1.00000
     21     -17.4415      1.00000
     22     -17.4223      1.00000
     23     -17.3306      1.00000
     24     -16.4702      1.00000
     25     -16.4653      1.00000
     26     -15.9698      1.00000
     27     -15.4150      1.00000
     28     -15.4032      1.00000
     29     -15.0969      1.00000
     30     -15.0889      1.00000
     31     -14.8453      1.00000
     32     -14.8349      1.00000
     33     -14.2948      1.00000
     34     -14.2574      1.00000
     35     -13.4426      1.00000
     36     -13.4039      1.00000
     37     -13.1744      1.00000
     38     -13.1703      1.00000
     39     -12.9820      1.00000
     40     -12.9769      1.00000
     41     -12.6085      1.00000
     42     -12.6044      1.00000
     43     -12.1977      1.00000
     44     -11.5749      1.00000
     45     -11.5400      1.00000
     46     -11.3087      1.00000
     47     -11.2831      1.00000
     48     -11.1429      1.00000
     49     -10.6812      1.00000
     50     -10.6655      1.00000
     51     -10.5507      1.00000
     52     -10.3199      1.00000
     53     -10.3154      1.00000
     54     -10.1655      1.00000
     55     -10.1259      1.00000
     56     -10.1089      1.00000
     57      -9.7966      1.00000
     58      -9.7624      1.00000
     59      -9.7539      1.00000
     60      -9.7022      1.00000
     61      -9.6938      1.00000
     62      -9.6599      1.00000
     63      -9.3557      1.00000
     64      -9.3517      1.00000
     65      -9.3173      1.00000
     66      -9.0374      1.00000
     67      -8.9676      1.00000
     68      -8.9353      1.00000
     69      -8.7976      1.00000
     70      -8.5948      1.00000
     71      -8.5550      1.00000
     72      -8.3967      1.00000
     73      -8.3601      1.00000
     74      -8.3217      1.00000
     75      -8.3018      1.00000
     76      -8.2548      1.00000
     77      -8.2483      1.00000
     78      -8.2346      1.00000
     79      -7.8996      1.00000
     80      -7.6499      1.00000
     81      -7.5507      1.00000
     82      -7.3982      1.00000
     83      -7.3595      1.00000
     84      -7.2398      1.00000
     85      -7.0962      1.00000
     86      -7.0426      1.00000
     87      -6.9319      1.00000
     88      -6.8527      1.00000
     89      -6.6064      1.00000
     90      -6.5703      1.00000
     91      -6.2615      1.00000
     92      -6.0383      1.00000
     93      -5.9475      1.00000
     94      -5.6555      1.00000
     95      -5.6361      1.00000
     96      -5.4573      1.00000
     97      -5.3082      1.00000
     98      -5.2779      1.00000
     99      -5.2115      1.00000
    100      -5.2007      1.00000
    101      -4.5121      1.00000
    102      -4.2101      1.00000
    103      -4.0694      1.00000
    104      -3.9986      1.00000
    105      -3.6989      1.00000
    106      -3.5027      1.00000
    107      -1.9411      0.00000
    108      -1.8883      0.00000
    109      -1.3507      0.00000
    110      -1.0961      0.00000
    111      -1.0468      0.00000
    112      -0.8113      0.00000
    113      -0.6679      0.00000
    114      -0.6594      0.00000
    115      -0.6152      0.00000
    116      -0.1150      0.00000
    117       0.2093      0.00000
    118       0.3212      0.00000
    119       0.6899      0.00000
    120       0.8887      0.00000
    121       1.1255      0.00000
    122       1.1964      0.00000
    123       1.3231      0.00000
    124       1.4151      0.00000
    125       1.5518      0.00000
    126       1.5747      0.00000
    127       1.6674      0.00000
    128       1.8065      0.00000
    129       1.8812      0.00000
    130       2.0426      0.00000
    131       2.1022      0.00000
    132       2.3147      0.00000
    133       2.3497      0.00000
    134       2.3864      0.00000
    135       2.5459      0.00000
    136       2.6234      0.00000
    137       2.7203      0.00000
    138       2.7457      0.00000
    139       2.8114      0.00000
    140       2.8796      0.00000
    141       3.0424      0.00000
    142       3.0494      0.00000
    143       3.1661      0.00000
    144       3.2522      0.00000
    145       3.3430      0.00000
    146       3.3993      0.00000
    147       3.4226      0.00000
    148       3.5673      0.00000
    149       3.5832      0.00000
    150       3.5971      0.00000
    151       3.6614      0.00000
    152       3.7125      0.00000
    153       3.7791      0.00000
    154       3.7942      0.00000
    155       3.7960      0.00000
    156       3.8763      0.00000
    157       3.9090      0.00000
    158       3.9799      0.00000
    159       4.2151      0.00000
    160       4.3255      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3126      1.00000
      2     -21.9583      1.00000
      3     -21.8887      1.00000
      4     -21.3776      1.00000
      5     -21.3485      1.00000
      6     -20.8342      1.00000
      7     -20.7684      1.00000
      8     -20.6176      1.00000
      9     -20.0763      1.00000
     10     -20.0712      1.00000
     11     -19.7120      1.00000
     12     -19.6875      1.00000
     13     -18.9941      1.00000
     14     -18.9889      1.00000
     15     -18.6444      1.00000
     16     -18.6279      1.00000
     17     -18.4528      1.00000
     18     -17.6653      1.00000
     19     -17.6157      1.00000
     20     -17.6123      1.00000
     21     -17.5694      1.00000
     22     -17.1286      1.00000
     23     -17.1050      1.00000
     24     -16.9826      1.00000
     25     -16.0232      1.00000
     26     -15.9081      1.00000
     27     -15.5878      1.00000
     28     -15.5877      1.00000
     29     -15.2607      1.00000
     30     -14.8724      1.00000
     31     -14.8442      1.00000
     32     -14.5716      1.00000
     33     -14.5286      1.00000
     34     -14.1652      1.00000
     35     -14.1510      1.00000
     36     -13.1692      1.00000
     37     -13.0988      1.00000
     38     -13.0226      1.00000
     39     -13.0115      1.00000
     40     -12.7063      1.00000
     41     -12.7027      1.00000
     42     -12.3440      1.00000
     43     -12.3122      1.00000
     44     -11.6312      1.00000
     45     -11.6185      1.00000
     46     -11.5541      1.00000
     47     -10.9467      1.00000
     48     -10.9126      1.00000
     49     -10.6347      1.00000
     50     -10.6304      1.00000
     51     -10.5479      1.00000
     52     -10.5064      1.00000
     53     -10.5047      1.00000
     54     -10.4610      1.00000
     55     -10.3552      1.00000
     56     -10.0962      1.00000
     57      -9.8998      1.00000
     58      -9.6048      1.00000
     59      -9.5519      1.00000
     60      -9.4525      1.00000
     61      -9.4133      1.00000
     62      -9.4056      1.00000
     63      -9.3793      1.00000
     64      -9.3785      1.00000
     65      -9.2871      1.00000
     66      -9.1609      1.00000
     67      -9.1367      1.00000
     68      -9.0947      1.00000
     69      -8.8665      1.00000
     70      -8.8602      1.00000
     71      -8.8111      1.00000
     72      -8.5910      1.00000
     73      -8.4737      1.00000
     74      -8.1943      1.00000
     75      -8.1578      1.00000
     76      -8.0056      1.00000
     77      -7.9696      1.00000
     78      -7.8601      1.00000
     79      -7.8494      1.00000
     80      -7.7032      1.00000
     81      -7.6982      1.00000
     82      -7.6215      1.00000
     83      -7.4484      1.00000
     84      -7.2947      1.00000
     85      -7.2534      1.00000
     86      -6.9108      1.00000
     87      -6.8947      1.00000
     88      -6.5879      1.00000
     89      -6.5512      1.00000
     90      -6.4295      1.00000
     91      -6.2656      1.00000
     92      -6.2447      1.00000
     93      -6.1856      1.00000
     94      -6.0117      1.00000
     95      -5.5392      1.00000
     96      -5.4779      1.00000
     97      -5.3390      1.00000
     98      -5.2064      1.00000
     99      -5.0033      1.00000
    100      -4.7336      1.00000
    101      -4.6819      1.00000
    102      -4.3912      1.00000
    103      -4.2050      1.00000
    104      -3.8805      1.00000
    105      -3.5644      1.00000
    106      -3.5143      1.00000
    107      -2.2362      0.00000
    108      -1.4626      0.00000
    109      -1.3568      0.00000
    110      -1.2378      0.00000
    111      -1.1061      0.00000
    112      -0.9576      0.00000
    113      -0.8791      0.00000
    114      -0.8206      0.00000
    115      -0.1448      0.00000
    116       0.1172      0.00000
    117       0.2417      0.00000
    118       0.3660      0.00000
    119       0.6473      0.00000
    120       0.8358      0.00000
    121       0.9355      0.00000
    122       1.0663      0.00000
    123       1.2242      0.00000
    124       1.4466      0.00000
    125       1.5374      0.00000
    126       1.7600      0.00000
    127       1.7879      0.00000
    128       1.8751      0.00000
    129       1.9573      0.00000
    130       2.0322      0.00000
    131       2.1610      0.00000
    132       2.1846      0.00000
    133       2.4031      0.00000
    134       2.4374      0.00000
    135       2.5252      0.00000
    136       2.6014      0.00000
    137       2.6353      0.00000
    138       2.6889      0.00000
    139       2.7760      0.00000
    140       2.8368      0.00000
    141       2.9384      0.00000
    142       3.0727      0.00000
    143       3.1986      0.00000
    144       3.1991      0.00000
    145       3.2397      0.00000
    146       3.3119      0.00000
    147       3.3217      0.00000
    148       3.4543      0.00000
    149       3.4885      0.00000
    150       3.6780      0.00000
    151       3.7039      0.00000
    152       3.7074      0.00000
    153       3.8510      0.00000
    154       3.9114      0.00000
    155       3.9407      0.00000
    156       3.9976      0.00000
    157       4.0439      0.00000
    158       4.0538      0.00000
    159       4.0751      0.00000
    160       4.2378      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2057      1.00000
      2     -22.1126      1.00000
      3     -21.9524      1.00000
      4     -21.4007      1.00000
      5     -21.0454      1.00000
      6     -21.0092      1.00000
      7     -20.4970      1.00000
      8     -20.4573      1.00000
      9     -20.2896      1.00000
     10     -20.2703      1.00000
     11     -19.9555      1.00000
     12     -19.8897      1.00000
     13     -18.8821      1.00000
     14     -18.8133      1.00000
     15     -18.3478      1.00000
     16     -18.3008      1.00000
     17     -18.1526      1.00000
     18     -18.1319      1.00000
     19     -17.8224      1.00000
     20     -17.7839      1.00000
     21     -17.2600      1.00000
     22     -17.2385      1.00000
     23     -17.1532      1.00000
     24     -17.1354      1.00000
     25     -16.1150      1.00000
     26     -15.8829      1.00000
     27     -15.8649      1.00000
     28     -15.8401      1.00000
     29     -15.2247      1.00000
     30     -14.5557      1.00000
     31     -14.5267      1.00000
     32     -14.2692      1.00000
     33     -13.9694      1.00000
     34     -13.9531      1.00000
     35     -13.8310      1.00000
     36     -13.8028      1.00000
     37     -13.6099      1.00000
     38     -13.5663      1.00000
     39     -13.3676      1.00000
     40     -12.6373      1.00000
     41     -12.1777      1.00000
     42     -12.1298      1.00000
     43     -12.0682      1.00000
     44     -12.0135      1.00000
     45     -11.6706      1.00000
     46     -11.6568      1.00000
     47     -11.1430      1.00000
     48     -11.1201      1.00000
     49     -10.7943      1.00000
     50     -10.7305      1.00000
     51     -10.5266      1.00000
     52     -10.2047      1.00000
     53     -10.2033      1.00000
     54     -10.1606      1.00000
     55     -10.0190      1.00000
     56     -10.0017      1.00000
     57      -9.9909      1.00000
     58      -9.8016      1.00000
     59      -9.7929      1.00000
     60      -9.7793      1.00000
     61      -9.7525      1.00000
     62      -9.4564      1.00000
     63      -9.4158      1.00000
     64      -9.0805      1.00000
     65      -9.0729      1.00000
     66      -9.0423      1.00000
     67      -8.9471      1.00000
     68      -8.8740      1.00000
     69      -8.7109      1.00000
     70      -8.6954      1.00000
     71      -8.5655      1.00000
     72      -8.5422      1.00000
     73      -8.4953      1.00000
     74      -8.4718      1.00000
     75      -8.4364      1.00000
     76      -8.2598      1.00000
     77      -8.1204      1.00000
     78      -8.0395      1.00000
     79      -7.9275      1.00000
     80      -7.8626      1.00000
     81      -7.6152      1.00000
     82      -7.5431      1.00000
     83      -7.4836      1.00000
     84      -7.2706      1.00000
     85      -7.0071      1.00000
     86      -6.9303      1.00000
     87      -6.8940      1.00000
     88      -6.5298      1.00000
     89      -6.4778      1.00000
     90      -6.4616      1.00000
     91      -6.4162      1.00000
     92      -5.9777      1.00000
     93      -5.8926      1.00000
     94      -5.7777      1.00000
     95      -5.7681      1.00000
     96      -5.4260      1.00000
     97      -5.3278      1.00000
     98      -5.2206      1.00000
     99      -5.2128      1.00000
    100      -5.2032      1.00000
    101      -4.6990      1.00000
    102      -4.4266      1.00000
    103      -4.2118      1.00000
    104      -3.8395      1.00000
    105      -3.5331      1.00000
    106      -3.2862      1.00000
    107      -2.5221      0.00000
    108      -1.4681      0.00000
    109      -1.2623      0.00000
    110      -1.2080      0.00000
    111      -1.1656      0.00000
    112      -0.7301      0.00000
    113      -0.5080      0.00000
    114      -0.4220      0.00000
    115      -0.3376      0.00000
    116      -0.1550      0.00000
    117      -0.0111      0.00000
    118       0.1888      0.00000
    119       0.5640      0.00000
    120       0.6113      0.00000
    121       0.7898      0.00000
    122       0.9102      0.00000
    123       1.1273      0.00000
    124       1.4839      0.00000
    125       1.6336      0.00000
    126       1.8422      0.00000
    127       1.9220      0.00000
    128       2.0980      0.00000
    129       2.1111      0.00000
    130       2.1231      0.00000
    131       2.1823      0.00000
    132       2.2765      0.00000
    133       2.3256      0.00000
    134       2.4642      0.00000
    135       2.5735      0.00000
    136       2.6534      0.00000
    137       2.8455      0.00000
    138       2.8626      0.00000
    139       2.8880      0.00000
    140       3.0079      0.00000
    141       3.0320      0.00000
    142       3.1341      0.00000
    143       3.1704      0.00000
    144       3.2265      0.00000
    145       3.2733      0.00000
    146       3.2751      0.00000
    147       3.2934      0.00000
    148       3.3393      0.00000
    149       3.4030      0.00000
    150       3.4272      0.00000
    151       3.5364      0.00000
    152       3.6078      0.00000
    153       3.6942      0.00000
    154       3.7095      0.00000
    155       3.7743      0.00000
    156       3.8822      0.00000
    157       3.9381      0.00000
    158       4.0056      0.00000
    159       4.1472      0.00000
    160       4.2343      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3126      1.00000
      2     -21.9597      1.00000
      3     -21.8875      1.00000
      4     -21.3797      1.00000
      5     -21.3432      1.00000
      6     -20.8362      1.00000
      7     -20.7698      1.00000
      8     -20.6223      1.00000
      9     -20.0847      1.00000
     10     -20.0556      1.00000
     11     -19.7159      1.00000
     12     -19.6865      1.00000
     13     -19.0068      1.00000
     14     -18.9745      1.00000
     15     -18.6437      1.00000
     16     -18.6110      1.00000
     17     -18.4612      1.00000
     18     -17.6593      1.00000
     19     -17.6538      1.00000
     20     -17.6107      1.00000
     21     -17.5796      1.00000
     22     -17.1351      1.00000
     23     -17.0931      1.00000
     24     -16.9540      1.00000
     25     -15.9967      1.00000
     26     -15.9287      1.00000
     27     -15.5944      1.00000
     28     -15.5698      1.00000
     29     -15.2906      1.00000
     30     -14.8702      1.00000
     31     -14.8231      1.00000
     32     -14.5799      1.00000
     33     -14.5365      1.00000
     34     -14.1646      1.00000
     35     -14.1582      1.00000
     36     -13.1534      1.00000
     37     -13.0910      1.00000
     38     -13.0301      1.00000
     39     -13.0164      1.00000
     40     -12.7184      1.00000
     41     -12.6948      1.00000
     42     -12.3360      1.00000
     43     -12.3078      1.00000
     44     -11.6380      1.00000
     45     -11.6201      1.00000
     46     -11.5759      1.00000
     47     -10.9406      1.00000
     48     -10.9222      1.00000
     49     -10.6675      1.00000
     50     -10.5879      1.00000
     51     -10.5702      1.00000
     52     -10.4994      1.00000
     53     -10.4803      1.00000
     54     -10.4298      1.00000
     55     -10.3570      1.00000
     56     -10.1005      1.00000
     57      -9.8942      1.00000
     58      -9.6097      1.00000
     59      -9.5524      1.00000
     60      -9.4516      1.00000
     61      -9.4140      1.00000
     62      -9.4095      1.00000
     63      -9.3851      1.00000
     64      -9.3625      1.00000
     65      -9.2637      1.00000
     66      -9.1742      1.00000
     67      -9.1417      1.00000
     68      -9.1259      1.00000
     69      -8.8645      1.00000
     70      -8.8579      1.00000
     71      -8.8008      1.00000
     72      -8.5964      1.00000
     73      -8.5263      1.00000
     74      -8.1955      1.00000
     75      -8.1734      1.00000
     76      -8.0730      1.00000
     77      -7.8557      1.00000
     78      -7.8395      1.00000
     79      -7.8137      1.00000
     80      -7.7194      1.00000
     81      -7.6919      1.00000
     82      -7.5930      1.00000
     83      -7.5325      1.00000
     84      -7.3453      1.00000
     85      -7.1700      1.00000
     86      -6.9156      1.00000
     87      -6.8849      1.00000
     88      -6.5822      1.00000
     89      -6.5579      1.00000
     90      -6.3990      1.00000
     91      -6.2958      1.00000
     92      -6.2400      1.00000
     93      -6.2112      1.00000
     94      -6.0087      1.00000
     95      -5.5267      1.00000
     96      -5.4838      1.00000
     97      -5.3179      1.00000
     98      -5.2174      1.00000
     99      -5.0384      1.00000
    100      -4.7156      1.00000
    101      -4.6799      1.00000
    102      -4.4280      1.00000
    103      -4.1953      1.00000
    104      -3.8464      1.00000
    105      -3.6317      1.00000
    106      -3.4152      1.00000
    107      -2.3056      0.00000
    108      -1.5215      0.00000
    109      -1.2851      0.00000
    110      -1.2562      0.00000
    111      -1.0430      0.00000
    112      -0.9650      0.00000
    113      -0.8676      0.00000
    114      -0.7946      0.00000
    115      -0.2671      0.00000
    116       0.1948      0.00000
    117       0.2377      0.00000
    118       0.3581      0.00000
    119       0.6882      0.00000
    120       0.8898      0.00000
    121       0.9145      0.00000
    122       1.0393      0.00000
    123       1.1640      0.00000
    124       1.5036      0.00000
    125       1.5474      0.00000
    126       1.7083      0.00000
    127       1.7737      0.00000
    128       1.8293      0.00000
    129       1.9516      0.00000
    130       1.9713      0.00000
    131       2.1766      0.00000
    132       2.2553      0.00000
    133       2.4054      0.00000
    134       2.4361      0.00000
    135       2.5268      0.00000
    136       2.5884      0.00000
    137       2.6120      0.00000
    138       2.6887      0.00000
    139       2.7560      0.00000
    140       2.8711      0.00000
    141       3.0276      0.00000
    142       3.0712      0.00000
    143       3.1822      0.00000
    144       3.2350      0.00000
    145       3.2408      0.00000
    146       3.2923      0.00000
    147       3.3392      0.00000
    148       3.4381      0.00000
    149       3.5078      0.00000
    150       3.6874      0.00000
    151       3.7096      0.00000
    152       3.7166      0.00000
    153       3.8253      0.00000
    154       3.8849      0.00000
    155       3.9240      0.00000
    156       3.9829      0.00000
    157       4.0105      0.00000
    158       4.0338      0.00000
    159       4.0687      0.00000
    160       4.1056      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3847      1.00000
      2     -21.8268      1.00000
      3     -21.6360      1.00000
      4     -21.6013      1.00000
      5     -21.2738      1.00000
      6     -21.2273      1.00000
      7     -21.0540      1.00000
      8     -20.1687      1.00000
      9     -20.1231      1.00000
     10     -19.6100      1.00000
     11     -19.5825      1.00000
     12     -19.4170      1.00000
     13     -19.0927      1.00000
     14     -19.0512      1.00000
     15     -19.0473      1.00000
     16     -19.0360      1.00000
     17     -18.3616      1.00000
     18     -18.3408      1.00000
     19     -18.0240      1.00000
     20     -17.0800      1.00000
     21     -17.0335      1.00000
     22     -16.9450      1.00000
     23     -16.9292      1.00000
     24     -16.4598      1.00000
     25     -16.4485      1.00000
     26     -15.6099      1.00000
     27     -15.6095      1.00000
     28     -15.2636      1.00000
     29     -15.2509      1.00000
     30     -15.1849      1.00000
     31     -15.0899      1.00000
     32     -15.0557      1.00000
     33     -14.6965      1.00000
     34     -14.6948      1.00000
     35     -13.7266      1.00000
     36     -13.7256      1.00000
     37     -13.2336      1.00000
     38     -12.6166      1.00000
     39     -12.5713      1.00000
     40     -12.4496      1.00000
     41     -12.4437      1.00000
     42     -12.1208      1.00000
     43     -12.1147      1.00000
     44     -11.7185      1.00000
     45     -11.6799      1.00000
     46     -11.2362      1.00000
     47     -11.2144      1.00000
     48     -11.0188      1.00000
     49     -11.0066      1.00000
     50     -10.9323      1.00000
     51     -10.9034      1.00000
     52     -10.6343      1.00000
     53     -10.1605      1.00000
     54     -10.1347      1.00000
     55     -10.0802      1.00000
     56      -9.9887      1.00000
     57      -9.7057      1.00000
     58      -9.6986      1.00000
     59      -9.6679      1.00000
     60      -9.5898      1.00000
     61      -9.5663      1.00000
     62      -9.5494      1.00000
     63      -9.3143      1.00000
     64      -9.3026      1.00000
     65      -9.2809      1.00000
     66      -9.2372      1.00000
     67      -9.1194      1.00000
     68      -9.1120      1.00000
     69      -9.1098      1.00000
     70      -8.9398      1.00000
     71      -8.8719      1.00000
     72      -8.6156      1.00000
     73      -8.5972      1.00000
     74      -8.2699      1.00000
     75      -8.0946      1.00000
     76      -7.8712      1.00000
     77      -7.8442      1.00000
     78      -7.7907      1.00000
     79      -7.7667      1.00000
     80      -7.7581      1.00000
     81      -7.4516      1.00000
     82      -7.3249      1.00000
     83      -7.3120      1.00000
     84      -7.2566      1.00000
     85      -7.1534      1.00000
     86      -7.0262      1.00000
     87      -6.9932      1.00000
     88      -6.7092      1.00000
     89      -6.6831      1.00000
     90      -6.6369      1.00000
     91      -6.5929      1.00000
     92      -6.1003      1.00000
     93      -6.0707      1.00000
     94      -6.0366      1.00000
     95      -6.0318      1.00000
     96      -5.7662      1.00000
     97      -4.9724      1.00000
     98      -4.8354      1.00000
     99      -4.7229      1.00000
    100      -4.6900      1.00000
    101      -4.4842      1.00000
    102      -4.3504      1.00000
    103      -4.1026      1.00000
    104      -4.0505      1.00000
    105      -3.7559      1.00000
    106      -3.4680      1.00000
    107      -1.9685      0.00000
    108      -1.7886      0.00000
    109      -1.4855      0.00000
    110      -1.3637      0.00000
    111      -1.3267      0.00000
    112      -1.2786      0.00000
    113      -0.6706      0.00000
    114      -0.4752      0.00000
    115      -0.2438      0.00000
    116       0.0471      0.00000
    117       0.5845      0.00000
    118       0.6818      0.00000
    119       0.7617      0.00000
    120       1.0233      0.00000
    121       1.0990      0.00000
    122       1.1778      0.00000
    123       1.2495      0.00000
    124       1.3345      0.00000
    125       1.4207      0.00000
    126       1.5879      0.00000
    127       1.7604      0.00000
    128       1.8299      0.00000
    129       1.8449      0.00000
    130       1.8773      0.00000
    131       2.0360      0.00000
    132       2.2039      0.00000
    133       2.2318      0.00000
    134       2.2648      0.00000
    135       2.4770      0.00000
    136       2.6172      0.00000
    137       2.6290      0.00000
    138       2.7415      0.00000
    139       2.7854      0.00000
    140       2.8340      0.00000
    141       2.8435      0.00000
    142       2.8624      0.00000
    143       2.9407      0.00000
    144       3.0581      0.00000
    145       3.2880      0.00000
    146       3.3489      0.00000
    147       3.3968      0.00000
    148       3.4117      0.00000
    149       3.4223      0.00000
    150       3.5777      0.00000
    151       3.6314      0.00000
    152       3.6799      0.00000
    153       3.7210      0.00000
    154       3.8933      0.00000
    155       3.9111      0.00000
    156       3.9450      0.00000
    157       4.0952      0.00000
    158       4.1909      0.00000
    159       4.2619      0.00000
    160       4.3754      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2053      1.00000
      2     -22.1142      1.00000
      3     -21.9513      1.00000
      4     -21.3988      1.00000
      5     -21.0423      1.00000
      6     -21.0142      1.00000
      7     -20.4918      1.00000
      8     -20.4622      1.00000
      9     -20.2851      1.00000
     10     -20.2835      1.00000
     11     -19.9501      1.00000
     12     -19.8865      1.00000
     13     -18.8754      1.00000
     14     -18.8073      1.00000
     15     -18.3412      1.00000
     16     -18.3210      1.00000
     17     -18.1456      1.00000
     18     -18.1383      1.00000
     19     -17.8188      1.00000
     20     -17.7997      1.00000
     21     -17.2487      1.00000
     22     -17.2304      1.00000
     23     -17.1812      1.00000
     24     -17.1233      1.00000
     25     -16.0959      1.00000
     26     -15.8816      1.00000
     27     -15.8708      1.00000
     28     -15.8216      1.00000
     29     -15.2522      1.00000
     30     -14.5459      1.00000
     31     -14.5277      1.00000
     32     -14.2966      1.00000
     33     -13.9701      1.00000
     34     -13.9454      1.00000
     35     -13.8153      1.00000
     36     -13.7925      1.00000
     37     -13.6107      1.00000
     38     -13.5843      1.00000
     39     -13.3619      1.00000
     40     -12.6233      1.00000
     41     -12.1750      1.00000
     42     -12.1476      1.00000
     43     -12.0706      1.00000
     44     -12.0232      1.00000
     45     -11.6634      1.00000
     46     -11.6588      1.00000
     47     -11.1318      1.00000
     48     -11.1211      1.00000
     49     -10.7881      1.00000
     50     -10.7314      1.00000
     51     -10.5342      1.00000
     52     -10.2116      1.00000
     53     -10.2057      1.00000
     54     -10.1671      1.00000
     55     -10.0189      1.00000
     56      -9.9894      1.00000
     57      -9.9851      1.00000
     58      -9.8057      1.00000
     59      -9.7979      1.00000
     60      -9.7570      1.00000
     61      -9.7485      1.00000
     62      -9.4482      1.00000
     63      -9.4124      1.00000
     64      -9.0803      1.00000
     65      -9.0399      1.00000
     66      -9.0223      1.00000
     67      -8.9897      1.00000
     68      -8.8987      1.00000
     69      -8.7135      1.00000
     70      -8.7049      1.00000
     71      -8.5602      1.00000
     72      -8.5504      1.00000
     73      -8.4806      1.00000
     74      -8.4690      1.00000
     75      -8.4614      1.00000
     76      -8.3088      1.00000
     77      -8.0979      1.00000
     78      -8.0896      1.00000
     79      -7.9080      1.00000
     80      -7.8253      1.00000
     81      -7.5938      1.00000
     82      -7.5588      1.00000
     83      -7.4356      1.00000
     84      -7.3182      1.00000
     85      -6.9805      1.00000
     86      -6.9081      1.00000
     87      -6.8621      1.00000
     88      -6.5432      1.00000
     89      -6.5177      1.00000
     90      -6.4843      1.00000
     91      -6.4101      1.00000
     92      -5.9340      1.00000
     93      -5.9153      1.00000
     94      -5.7884      1.00000
     95      -5.7723      1.00000
     96      -5.3782      1.00000
     97      -5.3660      1.00000
     98      -5.2436      1.00000
     99      -5.2108      1.00000
    100      -5.1908      1.00000
    101      -4.7100      1.00000
    102      -4.4446      1.00000
    103      -4.1910      1.00000
    104      -3.8250      1.00000
    105      -3.5665      1.00000
    106      -3.2067      1.00000
    107      -2.5849      0.00000
    108      -1.4775      0.00000
    109      -1.2511      0.00000
    110      -1.2026      0.00000
    111      -1.1931      0.00000
    112      -0.6458      0.00000
    113      -0.5460      0.00000
    114      -0.4145      0.00000
    115      -0.3517      0.00000
    116      -0.0757      0.00000
    117      -0.0569      0.00000
    118       0.1269      0.00000
    119       0.5784      0.00000
    120       0.6141      0.00000
    121       0.8541      0.00000
    122       0.9763      0.00000
    123       1.0051      0.00000
    124       1.4912      0.00000
    125       1.6802      0.00000
    126       1.7459      0.00000
    127       1.8563      0.00000
    128       2.1140      0.00000
    129       2.1225      0.00000
    130       2.1787      0.00000
    131       2.1976      0.00000
    132       2.2411      0.00000
    133       2.3377      0.00000
    134       2.4865      0.00000
    135       2.5068      0.00000
    136       2.6605      0.00000
    137       2.8477      0.00000
    138       2.8549      0.00000
    139       2.9492      0.00000
    140       3.0030      0.00000
    141       3.0438      0.00000
    142       3.1278      0.00000
    143       3.1838      0.00000
    144       3.2378      0.00000
    145       3.2458      0.00000
    146       3.2766      0.00000
    147       3.2918      0.00000
    148       3.3461      0.00000
    149       3.3942      0.00000
    150       3.5314      0.00000
    151       3.5544      0.00000
    152       3.6388      0.00000
    153       3.6455      0.00000
    154       3.6885      0.00000
    155       3.7091      0.00000
    156       3.8917      0.00000
    157       3.9609      0.00000
    158       4.0566      0.00000
    159       4.0832      0.00000
    160       4.1719      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2786      1.00000
      2     -22.0741      1.00000
      3     -21.7145      1.00000
      4     -21.6757      1.00000
      5     -20.9783      1.00000
      6     -20.9312      1.00000
      7     -20.6076      1.00000
      8     -20.5778      1.00000
      9     -20.5625      1.00000
     10     -20.0321      1.00000
     11     -19.5066      1.00000
     12     -19.4752      1.00000
     13     -19.3045      1.00000
     14     -19.2906      1.00000
     15     -18.4510      1.00000
     16     -18.4086      1.00000
     17     -17.9228      1.00000
     18     -17.9015      1.00000
     19     -17.7700      1.00000
     20     -17.7258      1.00000
     21     -17.4369      1.00000
     22     -17.4174      1.00000
     23     -17.3546      1.00000
     24     -16.4557      1.00000
     25     -16.4463      1.00000
     26     -15.9549      1.00000
     27     -15.4087      1.00000
     28     -15.4074      1.00000
     29     -15.0931      1.00000
     30     -15.0904      1.00000
     31     -14.8732      1.00000
     32     -14.8598      1.00000
     33     -14.2902      1.00000
     34     -14.2460      1.00000
     35     -13.4374      1.00000
     36     -13.3929      1.00000
     37     -13.1796      1.00000
     38     -13.1772      1.00000
     39     -12.9748      1.00000
     40     -12.9651      1.00000
     41     -12.6195      1.00000
     42     -12.6164      1.00000
     43     -12.1955      1.00000
     44     -11.5779      1.00000
     45     -11.5367      1.00000
     46     -11.3141      1.00000
     47     -11.2838      1.00000
     48     -11.1406      1.00000
     49     -10.6866      1.00000
     50     -10.6549      1.00000
     51     -10.5438      1.00000
     52     -10.3246      1.00000
     53     -10.3166      1.00000
     54     -10.1725      1.00000
     55     -10.1163      1.00000
     56     -10.1033      1.00000
     57      -9.8079      1.00000
     58      -9.7495      1.00000
     59      -9.7493      1.00000
     60      -9.6999      1.00000
     61      -9.6953      1.00000
     62      -9.6416      1.00000
     63      -9.3490      1.00000
     64      -9.3479      1.00000
     65      -9.3116      1.00000
     66      -9.0262      1.00000
     67      -8.9700      1.00000
     68      -8.9656      1.00000
     69      -8.7729      1.00000
     70      -8.5903      1.00000
     71      -8.5877      1.00000
     72      -8.4268      1.00000
     73      -8.3504      1.00000
     74      -8.3322      1.00000
     75      -8.3111      1.00000
     76      -8.2785      1.00000
     77      -8.2720      1.00000
     78      -8.2412      1.00000
     79      -7.9213      1.00000
     80      -7.7350      1.00000
     81      -7.3608      1.00000
     82      -7.3296      1.00000
     83      -7.3262      1.00000
     84      -7.2068      1.00000
     85      -7.1509      1.00000
     86      -7.0561      1.00000
     87      -6.9515      1.00000
     88      -6.8964      1.00000
     89      -6.6291      1.00000
     90      -6.5416      1.00000
     91      -6.2906      1.00000
     92      -6.0029      1.00000
     93      -5.9683      1.00000
     94      -5.6692      1.00000
     95      -5.6419      1.00000
     96      -5.3981      1.00000
     97      -5.3337      1.00000
     98      -5.3031      1.00000
     99      -5.2111      1.00000
    100      -5.1975      1.00000
    101      -4.5142      1.00000
    102      -4.3384      1.00000
    103      -3.9853      1.00000
    104      -3.8791      1.00000
    105      -3.7917      1.00000
    106      -3.4440      1.00000
    107      -2.0562      0.00000
    108      -1.8837      0.00000
    109      -1.2257      0.00000
    110      -1.1676      0.00000
    111      -1.0446      0.00000
    112      -0.7783      0.00000
    113      -0.6711      0.00000
    114      -0.6673      0.00000
    115      -0.6006      0.00000
    116      -0.1032      0.00000
    117       0.2278      0.00000
    118       0.2427      0.00000
    119       0.7669      0.00000
    120       0.9785      0.00000
    121       1.0680      0.00000
    122       1.2303      0.00000
    123       1.2428      0.00000
    124       1.3381      0.00000
    125       1.5634      0.00000
    126       1.5699      0.00000
    127       1.6849      0.00000
    128       1.8052      0.00000
    129       1.9400      0.00000
    130       1.9429      0.00000
    131       2.0654      0.00000
    132       2.2797      0.00000
    133       2.3368      0.00000
    134       2.4111      0.00000
    135       2.5412      0.00000
    136       2.6219      0.00000
    137       2.7576      0.00000
    138       2.8147      0.00000
    139       2.8365      0.00000
    140       2.8647      0.00000
    141       3.0450      0.00000
    142       3.0931      0.00000
    143       3.1434      0.00000
    144       3.2144      0.00000
    145       3.3556      0.00000
    146       3.3973      0.00000
    147       3.5044      0.00000
    148       3.5332      0.00000
    149       3.5805      0.00000
    150       3.6151      0.00000
    151       3.6291      0.00000
    152       3.7274      0.00000
    153       3.7290      0.00000
    154       3.7604      0.00000
    155       3.8053      0.00000
    156       3.8557      0.00000
    157       4.0082      0.00000
    158       4.0825      0.00000
    159       4.1687      0.00000
    160       4.2530      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4214      1.00000
      2     -21.5986      1.00000
      3     -21.4774      1.00000
      4     -21.4677      1.00000
      5     -21.4368      1.00000
      6     -21.4350      1.00000
      7     -21.4251      1.00000
      8     -19.7037      1.00000
      9     -19.6510      1.00000
     10     -19.6225      1.00000
     11     -19.6176      1.00000
     12     -19.6089      1.00000
     13     -19.6078      1.00000
     14     -18.7857      1.00000
     15     -18.7570      1.00000
     16     -18.7280      1.00000
     17     -18.7194      1.00000
     18     -18.7186      1.00000
     19     -18.7087      1.00000
     20     -16.6258      1.00000
     21     -16.6223      1.00000
     22     -16.5946      1.00000
     23     -16.5690      1.00000
     24     -16.5545      1.00000
     25     -16.5452      1.00000
     26     -15.6100      1.00000
     27     -15.6065      1.00000
     28     -15.5933      1.00000
     29     -15.5710      1.00000
     30     -15.5685      1.00000
     31     -15.5381      1.00000
     32     -14.2579      1.00000
     33     -14.2480      1.00000
     34     -14.2398      1.00000
     35     -14.2356      1.00000
     36     -14.2199      1.00000
     37     -14.2170      1.00000
     38     -11.8985      1.00000
     39     -11.8880      1.00000
     40     -11.8860      1.00000
     41     -11.8554      1.00000
     42     -11.8478      1.00000
     43     -11.8356      1.00000
     44     -11.7686      1.00000
     45     -11.7648      1.00000
     46     -11.7342      1.00000
     47     -11.7268      1.00000
     48     -11.7215      1.00000
     49     -11.7211      1.00000
     50     -10.6728      1.00000
     51     -10.3920      1.00000
     52     -10.3847      1.00000
     53     -10.3830      1.00000
     54     -10.3639      1.00000
     55     -10.3479      1.00000
     56     -10.3466      1.00000
     57      -9.9011      1.00000
     58      -9.4493      1.00000
     59      -9.4014      1.00000
     60      -9.3599      1.00000
     61      -9.3578      1.00000
     62      -9.3503      1.00000
     63      -9.1429      1.00000
     64      -9.1232      1.00000
     65      -9.1182      1.00000
     66      -9.0873      1.00000
     67      -9.0725      1.00000
     68      -9.0714      1.00000
     69      -9.0688      1.00000
     70      -9.0673      1.00000
     71      -9.0606      1.00000
     72      -9.0405      1.00000
     73      -9.0277      1.00000
     74      -9.0268      1.00000
     75      -8.1258      1.00000
     76      -7.7527      1.00000
     77      -7.4729      1.00000
     78      -7.4647      1.00000
     79      -7.4564      1.00000
     80      -7.4356      1.00000
     81      -7.4218      1.00000
     82      -7.4059      1.00000
     83      -7.3065      1.00000
     84      -7.2741      1.00000
     85      -7.2539      1.00000
     86      -7.2478      1.00000
     87      -7.1444      1.00000
     88      -7.0510      1.00000
     89      -6.4419      1.00000
     90      -6.4079      1.00000
     91      -6.3922      1.00000
     92      -6.3728      1.00000
     93      -6.3598      1.00000
     94      -6.3379      1.00000
     95      -5.9819      1.00000
     96      -5.9389      1.00000
     97      -4.8040      1.00000
     98      -4.5480      1.00000
     99      -4.5004      1.00000
    100      -4.4661      1.00000
    101      -4.3955      1.00000
    102      -4.3757      1.00000
    103      -4.2644      1.00000
    104      -4.1883      1.00000
    105      -3.7415      1.00000
    106      -3.4811      1.00000
    107      -1.8767      0.00000
    108      -1.6581      0.00000
    109      -1.6264      0.00000
    110      -1.6044      0.00000
    111      -1.5819      0.00000
    112      -1.5668      0.00000
    113      -0.4348      0.00000
    114       0.1496      0.00000
    115       0.1831      0.00000
    116       0.2458      0.00000
    117       0.2649      0.00000
    118       0.2716      0.00000
    119       0.4739      0.00000
    120       0.5439      0.00000
    121       1.2467      0.00000
    122       1.2904      0.00000
    123       1.5281      0.00000
    124       1.7612      0.00000
    125       1.7614      0.00000
    126       1.7650      0.00000
    127       1.7903      0.00000
    128       1.8235      0.00000
    129       1.9415      0.00000
    130       1.9679      0.00000
    131       1.9749      0.00000
    132       1.9781      0.00000
    133       1.9942      0.00000
    134       2.0768      0.00000
    135       2.2529      0.00000
    136       2.3490      0.00000
    137       2.5858      0.00000
    138       2.5962      0.00000
    139       2.6056      0.00000
    140       2.7234      0.00000
    141       2.9343      0.00000
    142       3.0517      0.00000
    143       3.0606      0.00000
    144       3.0636      0.00000
    145       3.0655      0.00000
    146       3.0765      0.00000
    147       3.0924      0.00000
    148       3.2713      0.00000
    149       3.4352      0.00000
    150       3.5089      0.00000
    151       3.8372      0.00000
    152       3.9373      0.00000
    153       3.9431      0.00000
    154       3.9581      0.00000
    155       3.9689      0.00000
    156       3.9994      0.00000
    157       4.1852      0.00000
    158       4.2591      0.00000
    159       4.2728      0.00000
    160       4.2760      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3847      1.00000
      2     -21.8256      1.00000
      3     -21.6339      1.00000
      4     -21.6062      1.00000
      5     -21.2706      1.00000
      6     -21.2309      1.00000
      7     -21.0516      1.00000
      8     -20.1635      1.00000
      9     -20.1248      1.00000
     10     -19.6074      1.00000
     11     -19.5959      1.00000
     12     -19.4115      1.00000
     13     -19.0851      1.00000
     14     -19.0618      1.00000
     15     -19.0440      1.00000
     16     -19.0368      1.00000
     17     -18.3623      1.00000
     18     -18.3482      1.00000
     19     -18.0118      1.00000
     20     -17.0629      1.00000
     21     -17.0232      1.00000
     22     -16.9548      1.00000
     23     -16.9304      1.00000
     24     -16.4792      1.00000
     25     -16.4634      1.00000
     26     -15.6157      1.00000
     27     -15.5970      1.00000
     28     -15.2471      1.00000
     29     -15.2299      1.00000
     30     -15.1847      1.00000
     31     -15.1024      1.00000
     32     -15.0725      1.00000
     33     -14.6987      1.00000
     34     -14.6926      1.00000
     35     -13.7242      1.00000
     36     -13.7211      1.00000
     37     -13.2351      1.00000
     38     -12.6221      1.00000
     39     -12.5848      1.00000
     40     -12.4528      1.00000
     41     -12.4491      1.00000
     42     -12.1022      1.00000
     43     -12.0966      1.00000
     44     -11.7159      1.00000
     45     -11.6846      1.00000
     46     -11.2472      1.00000
     47     -11.2255      1.00000
     48     -11.0155      1.00000
     49     -11.0065      1.00000
     50     -10.9237      1.00000
     51     -10.8984      1.00000
     52     -10.6278      1.00000
     53     -10.1602      1.00000
     54     -10.1567      1.00000
     55     -10.0937      1.00000
     56      -9.9960      1.00000
     57      -9.7020      1.00000
     58      -9.6881      1.00000
     59      -9.6481      1.00000
     60      -9.5951      1.00000
     61      -9.5736      1.00000
     62      -9.5599      1.00000
     63      -9.3059      1.00000
     64      -9.2998      1.00000
     65      -9.2723      1.00000
     66      -9.2378      1.00000
     67      -9.1341      1.00000
     68      -9.1143      1.00000
     69      -9.1108      1.00000
     70      -8.9352      1.00000
     71      -8.8731      1.00000
     72      -8.6010      1.00000
     73      -8.5875      1.00000
     74      -8.2334      1.00000
     75      -8.1067      1.00000
     76      -7.9137      1.00000
     77      -7.8622      1.00000
     78      -7.7747      1.00000
     79      -7.7525      1.00000
     80      -7.6864      1.00000
     81      -7.5646      1.00000
     82      -7.3470      1.00000
     83      -7.3272      1.00000
     84      -7.2049      1.00000
     85      -7.1247      1.00000
     86      -7.0269      1.00000
     87      -7.0078      1.00000
     88      -6.6996      1.00000
     89      -6.6815      1.00000
     90      -6.6353      1.00000
     91      -6.5998      1.00000
     92      -6.1318      1.00000
     93      -6.0536      1.00000
     94      -6.0276      1.00000
     95      -6.0171      1.00000
     96      -5.7739      1.00000
     97      -4.9691      1.00000
     98      -4.8457      1.00000
     99      -4.7454      1.00000
    100      -4.6713      1.00000
    101      -4.4697      1.00000
    102      -4.2053      1.00000
    103      -4.1908      1.00000
    104      -4.1271      1.00000
    105      -3.7331      1.00000
    106      -3.4917      1.00000
    107      -1.8778      0.00000
    108      -1.7924      0.00000
    109      -1.5359      0.00000
    110      -1.3673      0.00000
    111      -1.3331      0.00000
    112      -1.2954      0.00000
    113      -0.7301      0.00000
    114      -0.3838      0.00000
    115      -0.2446      0.00000
    116       0.0325      0.00000
    117       0.5532      0.00000
    118       0.6997      0.00000
    119       0.7414      0.00000
    120       1.0484      0.00000
    121       1.0822      0.00000
    122       1.1490      0.00000
    123       1.2219      0.00000
    124       1.3721      0.00000
    125       1.5178      0.00000
    126       1.5708      0.00000
    127       1.7082      0.00000
    128       1.8111      0.00000
    129       1.8547      0.00000
    130       1.8796      0.00000
    131       2.0881      0.00000
    132       2.1816      0.00000
    133       2.2325      0.00000
    134       2.2948      0.00000
    135       2.5092      0.00000
    136       2.5761      0.00000
    137       2.6263      0.00000
    138       2.7735      0.00000
    139       2.7878      0.00000
    140       2.8133      0.00000
    141       2.8486      0.00000
    142       2.8890      0.00000
    143       2.9375      0.00000
    144       3.0613      0.00000
    145       3.1496      0.00000
    146       3.2914      0.00000
    147       3.3702      0.00000
    148       3.4174      0.00000
    149       3.4650      0.00000
    150       3.6051      0.00000
    151       3.6379      0.00000
    152       3.6592      0.00000
    153       3.7125      0.00000
    154       3.9058      0.00000
    155       3.9457      0.00000
    156       4.0083      0.00000
    157       4.0508      0.00000
    158       4.2351      0.00000
    159       4.2495      0.00000
    160       4.2667      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2787      1.00000
      2     -22.0730      1.00000
      3     -21.7125      1.00000
      4     -21.6807      1.00000
      5     -20.9753      1.00000
      6     -20.9345      1.00000
      7     -20.6075      1.00000
      8     -20.5705      1.00000
      9     -20.5640      1.00000
     10     -20.0271      1.00000
     11     -19.5023      1.00000
     12     -19.4900      1.00000
     13     -19.3065      1.00000
     14     -19.2991      1.00000
     15     -18.4431      1.00000
     16     -18.4054      1.00000
     17     -17.9244      1.00000
     18     -17.9090      1.00000
     19     -17.7564      1.00000
     20     -17.7196      1.00000
     21     -17.4415      1.00000
     22     -17.4223      1.00000
     23     -17.3306      1.00000
     24     -16.4702      1.00000
     25     -16.4653      1.00000
     26     -15.9698      1.00000
     27     -15.4150      1.00000
     28     -15.4032      1.00000
     29     -15.0969      1.00000
     30     -15.0889      1.00000
     31     -14.8453      1.00000
     32     -14.8349      1.00000
     33     -14.2948      1.00000
     34     -14.2574      1.00000
     35     -13.4426      1.00000
     36     -13.4039      1.00000
     37     -13.1744      1.00000
     38     -13.1703      1.00000
     39     -12.9820      1.00000
     40     -12.9769      1.00000
     41     -12.6085      1.00000
     42     -12.6044      1.00000
     43     -12.1977      1.00000
     44     -11.5749      1.00000
     45     -11.5400      1.00000
     46     -11.3087      1.00000
     47     -11.2831      1.00000
     48     -11.1429      1.00000
     49     -10.6812      1.00000
     50     -10.6655      1.00000
     51     -10.5507      1.00000
     52     -10.3199      1.00000
     53     -10.3154      1.00000
     54     -10.1655      1.00000
     55     -10.1259      1.00000
     56     -10.1089      1.00000
     57      -9.7966      1.00000
     58      -9.7624      1.00000
     59      -9.7539      1.00000
     60      -9.7022      1.00000
     61      -9.6938      1.00000
     62      -9.6599      1.00000
     63      -9.3557      1.00000
     64      -9.3517      1.00000
     65      -9.3173      1.00000
     66      -9.0374      1.00000
     67      -8.9676      1.00000
     68      -8.9353      1.00000
     69      -8.7976      1.00000
     70      -8.5948      1.00000
     71      -8.5550      1.00000
     72      -8.3967      1.00000
     73      -8.3601      1.00000
     74      -8.3217      1.00000
     75      -8.3018      1.00000
     76      -8.2548      1.00000
     77      -8.2483      1.00000
     78      -8.2346      1.00000
     79      -7.8996      1.00000
     80      -7.6499      1.00000
     81      -7.5507      1.00000
     82      -7.3982      1.00000
     83      -7.3595      1.00000
     84      -7.2398      1.00000
     85      -7.0962      1.00000
     86      -7.0426      1.00000
     87      -6.9319      1.00000
     88      -6.8527      1.00000
     89      -6.6064      1.00000
     90      -6.5703      1.00000
     91      -6.2615      1.00000
     92      -6.0383      1.00000
     93      -5.9475      1.00000
     94      -5.6555      1.00000
     95      -5.6361      1.00000
     96      -5.4573      1.00000
     97      -5.3082      1.00000
     98      -5.2779      1.00000
     99      -5.2115      1.00000
    100      -5.2007      1.00000
    101      -4.5121      1.00000
    102      -4.2101      1.00000
    103      -4.0694      1.00000
    104      -3.9986      1.00000
    105      -3.6989      1.00000
    106      -3.5027      1.00000
    107      -1.9411      0.00000
    108      -1.8883      0.00000
    109      -1.3507      0.00000
    110      -1.0961      0.00000
    111      -1.0468      0.00000
    112      -0.8113      0.00000
    113      -0.6679      0.00000
    114      -0.6594      0.00000
    115      -0.6152      0.00000
    116      -0.1150      0.00000
    117       0.2093      0.00000
    118       0.3212      0.00000
    119       0.6899      0.00000
    120       0.8887      0.00000
    121       1.1255      0.00000
    122       1.1964      0.00000
    123       1.3231      0.00000
    124       1.4151      0.00000
    125       1.5518      0.00000
    126       1.5747      0.00000
    127       1.6674      0.00000
    128       1.8065      0.00000
    129       1.8812      0.00000
    130       2.0426      0.00000
    131       2.1023      0.00000
    132       2.3147      0.00000
    133       2.3497      0.00000
    134       2.3864      0.00000
    135       2.5459      0.00000
    136       2.6234      0.00000
    137       2.7203      0.00000
    138       2.7457      0.00000
    139       2.8114      0.00000
    140       2.8796      0.00000
    141       3.0424      0.00000
    142       3.0494      0.00000
    143       3.1661      0.00000
    144       3.2522      0.00000
    145       3.3430      0.00000
    146       3.3993      0.00000
    147       3.4227      0.00000
    148       3.5674      0.00000
    149       3.5832      0.00000
    150       3.5972      0.00000
    151       3.6615      0.00000
    152       3.7128      0.00000
    153       3.7790      0.00000
    154       3.7941      0.00000
    155       3.7961      0.00000
    156       3.8762      0.00000
    157       3.9090      0.00000
    158       3.9800      0.00000
    159       4.2149      0.00000
    160       4.3253      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3126      1.00000
      2     -21.9583      1.00000
      3     -21.8887      1.00000
      4     -21.3776      1.00000
      5     -21.3485      1.00000
      6     -20.8342      1.00000
      7     -20.7684      1.00000
      8     -20.6176      1.00000
      9     -20.0763      1.00000
     10     -20.0712      1.00000
     11     -19.7120      1.00000
     12     -19.6875      1.00000
     13     -18.9941      1.00000
     14     -18.9889      1.00000
     15     -18.6444      1.00000
     16     -18.6279      1.00000
     17     -18.4528      1.00000
     18     -17.6653      1.00000
     19     -17.6157      1.00000
     20     -17.6123      1.00000
     21     -17.5694      1.00000
     22     -17.1286      1.00000
     23     -17.1050      1.00000
     24     -16.9826      1.00000
     25     -16.0232      1.00000
     26     -15.9081      1.00000
     27     -15.5878      1.00000
     28     -15.5877      1.00000
     29     -15.2607      1.00000
     30     -14.8724      1.00000
     31     -14.8442      1.00000
     32     -14.5716      1.00000
     33     -14.5286      1.00000
     34     -14.1652      1.00000
     35     -14.1510      1.00000
     36     -13.1692      1.00000
     37     -13.0988      1.00000
     38     -13.0226      1.00000
     39     -13.0115      1.00000
     40     -12.7063      1.00000
     41     -12.7027      1.00000
     42     -12.3440      1.00000
     43     -12.3122      1.00000
     44     -11.6312      1.00000
     45     -11.6185      1.00000
     46     -11.5541      1.00000
     47     -10.9467      1.00000
     48     -10.9126      1.00000
     49     -10.6347      1.00000
     50     -10.6304      1.00000
     51     -10.5479      1.00000
     52     -10.5064      1.00000
     53     -10.5047      1.00000
     54     -10.4610      1.00000
     55     -10.3552      1.00000
     56     -10.0962      1.00000
     57      -9.8998      1.00000
     58      -9.6048      1.00000
     59      -9.5519      1.00000
     60      -9.4525      1.00000
     61      -9.4133      1.00000
     62      -9.4056      1.00000
     63      -9.3793      1.00000
     64      -9.3785      1.00000
     65      -9.2871      1.00000
     66      -9.1609      1.00000
     67      -9.1367      1.00000
     68      -9.0947      1.00000
     69      -8.8665      1.00000
     70      -8.8602      1.00000
     71      -8.8111      1.00000
     72      -8.5910      1.00000
     73      -8.4737      1.00000
     74      -8.1943      1.00000
     75      -8.1578      1.00000
     76      -8.0056      1.00000
     77      -7.9696      1.00000
     78      -7.8601      1.00000
     79      -7.8494      1.00000
     80      -7.7032      1.00000
     81      -7.6982      1.00000
     82      -7.6215      1.00000
     83      -7.4484      1.00000
     84      -7.2947      1.00000
     85      -7.2534      1.00000
     86      -6.9108      1.00000
     87      -6.8947      1.00000
     88      -6.5879      1.00000
     89      -6.5512      1.00000
     90      -6.4295      1.00000
     91      -6.2656      1.00000
     92      -6.2447      1.00000
     93      -6.1856      1.00000
     94      -6.0117      1.00000
     95      -5.5392      1.00000
     96      -5.4779      1.00000
     97      -5.3390      1.00000
     98      -5.2064      1.00000
     99      -5.0033      1.00000
    100      -4.7336      1.00000
    101      -4.6819      1.00000
    102      -4.3912      1.00000
    103      -4.2050      1.00000
    104      -3.8805      1.00000
    105      -3.5644      1.00000
    106      -3.5143      1.00000
    107      -2.2362      0.00000
    108      -1.4626      0.00000
    109      -1.3568      0.00000
    110      -1.2378      0.00000
    111      -1.1061      0.00000
    112      -0.9576      0.00000
    113      -0.8791      0.00000
    114      -0.8206      0.00000
    115      -0.1448      0.00000
    116       0.1172      0.00000
    117       0.2417      0.00000
    118       0.3660      0.00000
    119       0.6473      0.00000
    120       0.8358      0.00000
    121       0.9355      0.00000
    122       1.0663      0.00000
    123       1.2243      0.00000
    124       1.4466      0.00000
    125       1.5374      0.00000
    126       1.7600      0.00000
    127       1.7879      0.00000
    128       1.8751      0.00000
    129       1.9573      0.00000
    130       2.0322      0.00000
    131       2.1610      0.00000
    132       2.1847      0.00000
    133       2.4031      0.00000
    134       2.4374      0.00000
    135       2.5252      0.00000
    136       2.6014      0.00000
    137       2.6353      0.00000
    138       2.6889      0.00000
    139       2.7760      0.00000
    140       2.8368      0.00000
    141       2.9384      0.00000
    142       3.0727      0.00000
    143       3.1986      0.00000
    144       3.1991      0.00000
    145       3.2397      0.00000
    146       3.3119      0.00000
    147       3.3217      0.00000
    148       3.4543      0.00000
    149       3.4885      0.00000
    150       3.6780      0.00000
    151       3.7039      0.00000
    152       3.7074      0.00000
    153       3.8510      0.00000
    154       3.9114      0.00000
    155       3.9408      0.00000
    156       3.9976      0.00000
    157       4.0439      0.00000
    158       4.0538      0.00000
    159       4.0751      0.00000
    160       4.2378      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2057      1.00000
      2     -22.1126      1.00000
      3     -21.9524      1.00000
      4     -21.4007      1.00000
      5     -21.0454      1.00000
      6     -21.0092      1.00000
      7     -20.4970      1.00000
      8     -20.4573      1.00000
      9     -20.2896      1.00000
     10     -20.2703      1.00000
     11     -19.9555      1.00000
     12     -19.8897      1.00000
     13     -18.8821      1.00000
     14     -18.8133      1.00000
     15     -18.3478      1.00000
     16     -18.3008      1.00000
     17     -18.1526      1.00000
     18     -18.1319      1.00000
     19     -17.8224      1.00000
     20     -17.7839      1.00000
     21     -17.2600      1.00000
     22     -17.2385      1.00000
     23     -17.1532      1.00000
     24     -17.1354      1.00000
     25     -16.1150      1.00000
     26     -15.8829      1.00000
     27     -15.8649      1.00000
     28     -15.8401      1.00000
     29     -15.2247      1.00000
     30     -14.5557      1.00000
     31     -14.5267      1.00000
     32     -14.2692      1.00000
     33     -13.9694      1.00000
     34     -13.9531      1.00000
     35     -13.8310      1.00000
     36     -13.8028      1.00000
     37     -13.6099      1.00000
     38     -13.5663      1.00000
     39     -13.3676      1.00000
     40     -12.6373      1.00000
     41     -12.1777      1.00000
     42     -12.1298      1.00000
     43     -12.0682      1.00000
     44     -12.0135      1.00000
     45     -11.6706      1.00000
     46     -11.6568      1.00000
     47     -11.1430      1.00000
     48     -11.1201      1.00000
     49     -10.7943      1.00000
     50     -10.7305      1.00000
     51     -10.5266      1.00000
     52     -10.2047      1.00000
     53     -10.2033      1.00000
     54     -10.1606      1.00000
     55     -10.0190      1.00000
     56     -10.0017      1.00000
     57      -9.9909      1.00000
     58      -9.8016      1.00000
     59      -9.7929      1.00000
     60      -9.7793      1.00000
     61      -9.7525      1.00000
     62      -9.4564      1.00000
     63      -9.4158      1.00000
     64      -9.0805      1.00000
     65      -9.0729      1.00000
     66      -9.0423      1.00000
     67      -8.9471      1.00000
     68      -8.8740      1.00000
     69      -8.7109      1.00000
     70      -8.6954      1.00000
     71      -8.5655      1.00000
     72      -8.5422      1.00000
     73      -8.4953      1.00000
     74      -8.4718      1.00000
     75      -8.4364      1.00000
     76      -8.2598      1.00000
     77      -8.1204      1.00000
     78      -8.0395      1.00000
     79      -7.9275      1.00000
     80      -7.8626      1.00000
     81      -7.6152      1.00000
     82      -7.5431      1.00000
     83      -7.4836      1.00000
     84      -7.2706      1.00000
     85      -7.0071      1.00000
     86      -6.9303      1.00000
     87      -6.8940      1.00000
     88      -6.5298      1.00000
     89      -6.4778      1.00000
     90      -6.4616      1.00000
     91      -6.4162      1.00000
     92      -5.9777      1.00000
     93      -5.8926      1.00000
     94      -5.7777      1.00000
     95      -5.7681      1.00000
     96      -5.4260      1.00000
     97      -5.3278      1.00000
     98      -5.2206      1.00000
     99      -5.2128      1.00000
    100      -5.2032      1.00000
    101      -4.6990      1.00000
    102      -4.4266      1.00000
    103      -4.2118      1.00000
    104      -3.8395      1.00000
    105      -3.5331      1.00000
    106      -3.2862      1.00000
    107      -2.5221      0.00000
    108      -1.4681      0.00000
    109      -1.2623      0.00000
    110      -1.2080      0.00000
    111      -1.1656      0.00000
    112      -0.7301      0.00000
    113      -0.5080      0.00000
    114      -0.4220      0.00000
    115      -0.3376      0.00000
    116      -0.1550      0.00000
    117      -0.0111      0.00000
    118       0.1888      0.00000
    119       0.5640      0.00000
    120       0.6113      0.00000
    121       0.7898      0.00000
    122       0.9102      0.00000
    123       1.1273      0.00000
    124       1.4839      0.00000
    125       1.6336      0.00000
    126       1.8422      0.00000
    127       1.9220      0.00000
    128       2.0980      0.00000
    129       2.1111      0.00000
    130       2.1232      0.00000
    131       2.1823      0.00000
    132       2.2765      0.00000
    133       2.3257      0.00000
    134       2.4642      0.00000
    135       2.5735      0.00000
    136       2.6534      0.00000
    137       2.8455      0.00000
    138       2.8626      0.00000
    139       2.8880      0.00000
    140       3.0079      0.00000
    141       3.0320      0.00000
    142       3.1341      0.00000
    143       3.1704      0.00000
    144       3.2265      0.00000
    145       3.2733      0.00000
    146       3.2751      0.00000
    147       3.2934      0.00000
    148       3.3393      0.00000
    149       3.4031      0.00000
    150       3.4272      0.00000
    151       3.5364      0.00000
    152       3.6078      0.00000
    153       3.6942      0.00000
    154       3.7095      0.00000
    155       3.7743      0.00000
    156       3.8822      0.00000
    157       3.9381      0.00000
    158       4.0056      0.00000
    159       4.1471      0.00000
    160       4.2343      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3126      1.00000
      2     -21.9597      1.00000
      3     -21.8875      1.00000
      4     -21.3797      1.00000
      5     -21.3432      1.00000
      6     -20.8362      1.00000
      7     -20.7698      1.00000
      8     -20.6223      1.00000
      9     -20.0847      1.00000
     10     -20.0556      1.00000
     11     -19.7159      1.00000
     12     -19.6865      1.00000
     13     -19.0068      1.00000
     14     -18.9745      1.00000
     15     -18.6437      1.00000
     16     -18.6110      1.00000
     17     -18.4612      1.00000
     18     -17.6593      1.00000
     19     -17.6538      1.00000
     20     -17.6107      1.00000
     21     -17.5796      1.00000
     22     -17.1351      1.00000
     23     -17.0931      1.00000
     24     -16.9540      1.00000
     25     -15.9967      1.00000
     26     -15.9287      1.00000
     27     -15.5944      1.00000
     28     -15.5698      1.00000
     29     -15.2906      1.00000
     30     -14.8702      1.00000
     31     -14.8231      1.00000
     32     -14.5799      1.00000
     33     -14.5365      1.00000
     34     -14.1646      1.00000
     35     -14.1582      1.00000
     36     -13.1534      1.00000
     37     -13.0910      1.00000
     38     -13.0301      1.00000
     39     -13.0164      1.00000
     40     -12.7184      1.00000
     41     -12.6948      1.00000
     42     -12.3360      1.00000
     43     -12.3078      1.00000
     44     -11.6380      1.00000
     45     -11.6201      1.00000
     46     -11.5759      1.00000
     47     -10.9406      1.00000
     48     -10.9222      1.00000
     49     -10.6675      1.00000
     50     -10.5879      1.00000
     51     -10.5702      1.00000
     52     -10.4994      1.00000
     53     -10.4803      1.00000
     54     -10.4298      1.00000
     55     -10.3570      1.00000
     56     -10.1005      1.00000
     57      -9.8942      1.00000
     58      -9.6097      1.00000
     59      -9.5524      1.00000
     60      -9.4516      1.00000
     61      -9.4140      1.00000
     62      -9.4095      1.00000
     63      -9.3851      1.00000
     64      -9.3625      1.00000
     65      -9.2637      1.00000
     66      -9.1742      1.00000
     67      -9.1417      1.00000
     68      -9.1259      1.00000
     69      -8.8645      1.00000
     70      -8.8579      1.00000
     71      -8.8008      1.00000
     72      -8.5964      1.00000
     73      -8.5263      1.00000
     74      -8.1955      1.00000
     75      -8.1734      1.00000
     76      -8.0730      1.00000
     77      -7.8557      1.00000
     78      -7.8395      1.00000
     79      -7.8137      1.00000
     80      -7.7194      1.00000
     81      -7.6919      1.00000
     82      -7.5930      1.00000
     83      -7.5325      1.00000
     84      -7.3453      1.00000
     85      -7.1700      1.00000
     86      -6.9156      1.00000
     87      -6.8849      1.00000
     88      -6.5822      1.00000
     89      -6.5579      1.00000
     90      -6.3990      1.00000
     91      -6.2958      1.00000
     92      -6.2400      1.00000
     93      -6.2112      1.00000
     94      -6.0087      1.00000
     95      -5.5267      1.00000
     96      -5.4838      1.00000
     97      -5.3179      1.00000
     98      -5.2174      1.00000
     99      -5.0384      1.00000
    100      -4.7156      1.00000
    101      -4.6799      1.00000
    102      -4.4280      1.00000
    103      -4.1953      1.00000
    104      -3.8464      1.00000
    105      -3.6317      1.00000
    106      -3.4152      1.00000
    107      -2.3056      0.00000
    108      -1.5215      0.00000
    109      -1.2851      0.00000
    110      -1.2562      0.00000
    111      -1.0430      0.00000
    112      -0.9650      0.00000
    113      -0.8676      0.00000
    114      -0.7946      0.00000
    115      -0.2671      0.00000
    116       0.1948      0.00000
    117       0.2377      0.00000
    118       0.3581      0.00000
    119       0.6882      0.00000
    120       0.8898      0.00000
    121       0.9145      0.00000
    122       1.0393      0.00000
    123       1.1640      0.00000
    124       1.5036      0.00000
    125       1.5474      0.00000
    126       1.7083      0.00000
    127       1.7737      0.00000
    128       1.8293      0.00000
    129       1.9516      0.00000
    130       1.9713      0.00000
    131       2.1766      0.00000
    132       2.2553      0.00000
    133       2.4054      0.00000
    134       2.4361      0.00000
    135       2.5268      0.00000
    136       2.5884      0.00000
    137       2.6120      0.00000
    138       2.6887      0.00000
    139       2.7560      0.00000
    140       2.8711      0.00000
    141       3.0276      0.00000
    142       3.0712      0.00000
    143       3.1821      0.00000
    144       3.2350      0.00000
    145       3.2408      0.00000
    146       3.2923      0.00000
    147       3.3392      0.00000
    148       3.4381      0.00000
    149       3.5078      0.00000
    150       3.6874      0.00000
    151       3.7096      0.00000
    152       3.7167      0.00000
    153       3.8253      0.00000
    154       3.8849      0.00000
    155       3.9240      0.00000
    156       3.9829      0.00000
    157       4.0105      0.00000
    158       4.0338      0.00000
    159       4.0687      0.00000
    160       4.1056      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3847      1.00000
      2     -21.8268      1.00000
      3     -21.6360      1.00000
      4     -21.6013      1.00000
      5     -21.2738      1.00000
      6     -21.2273      1.00000
      7     -21.0540      1.00000
      8     -20.1687      1.00000
      9     -20.1231      1.00000
     10     -19.6100      1.00000
     11     -19.5825      1.00000
     12     -19.4170      1.00000
     13     -19.0927      1.00000
     14     -19.0512      1.00000
     15     -19.0473      1.00000
     16     -19.0360      1.00000
     17     -18.3616      1.00000
     18     -18.3408      1.00000
     19     -18.0240      1.00000
     20     -17.0800      1.00000
     21     -17.0335      1.00000
     22     -16.9450      1.00000
     23     -16.9292      1.00000
     24     -16.4598      1.00000
     25     -16.4485      1.00000
     26     -15.6099      1.00000
     27     -15.6095      1.00000
     28     -15.2636      1.00000
     29     -15.2509      1.00000
     30     -15.1849      1.00000
     31     -15.0899      1.00000
     32     -15.0557      1.00000
     33     -14.6965      1.00000
     34     -14.6948      1.00000
     35     -13.7266      1.00000
     36     -13.7256      1.00000
     37     -13.2336      1.00000
     38     -12.6166      1.00000
     39     -12.5713      1.00000
     40     -12.4496      1.00000
     41     -12.4437      1.00000
     42     -12.1208      1.00000
     43     -12.1147      1.00000
     44     -11.7185      1.00000
     45     -11.6799      1.00000
     46     -11.2362      1.00000
     47     -11.2144      1.00000
     48     -11.0188      1.00000
     49     -11.0066      1.00000
     50     -10.9323      1.00000
     51     -10.9034      1.00000
     52     -10.6343      1.00000
     53     -10.1605      1.00000
     54     -10.1347      1.00000
     55     -10.0802      1.00000
     56      -9.9887      1.00000
     57      -9.7057      1.00000
     58      -9.6986      1.00000
     59      -9.6679      1.00000
     60      -9.5898      1.00000
     61      -9.5663      1.00000
     62      -9.5494      1.00000
     63      -9.3143      1.00000
     64      -9.3026      1.00000
     65      -9.2809      1.00000
     66      -9.2372      1.00000
     67      -9.1194      1.00000
     68      -9.1120      1.00000
     69      -9.1098      1.00000
     70      -8.9398      1.00000
     71      -8.8719      1.00000
     72      -8.6156      1.00000
     73      -8.5972      1.00000
     74      -8.2699      1.00000
     75      -8.0946      1.00000
     76      -7.8712      1.00000
     77      -7.8442      1.00000
     78      -7.7907      1.00000
     79      -7.7667      1.00000
     80      -7.7581      1.00000
     81      -7.4516      1.00000
     82      -7.3249      1.00000
     83      -7.3120      1.00000
     84      -7.2566      1.00000
     85      -7.1534      1.00000
     86      -7.0262      1.00000
     87      -6.9932      1.00000
     88      -6.7092      1.00000
     89      -6.6831      1.00000
     90      -6.6369      1.00000
     91      -6.5929      1.00000
     92      -6.1003      1.00000
     93      -6.0707      1.00000
     94      -6.0366      1.00000
     95      -6.0318      1.00000
     96      -5.7662      1.00000
     97      -4.9724      1.00000
     98      -4.8354      1.00000
     99      -4.7229      1.00000
    100      -4.6900      1.00000
    101      -4.4842      1.00000
    102      -4.3504      1.00000
    103      -4.1026      1.00000
    104      -4.0505      1.00000
    105      -3.7559      1.00000
    106      -3.4680      1.00000
    107      -1.9685      0.00000
    108      -1.7886      0.00000
    109      -1.4855      0.00000
    110      -1.3637      0.00000
    111      -1.3267      0.00000
    112      -1.2786      0.00000
    113      -0.6706      0.00000
    114      -0.4752      0.00000
    115      -0.2438      0.00000
    116       0.0471      0.00000
    117       0.5845      0.00000
    118       0.6818      0.00000
    119       0.7617      0.00000
    120       1.0233      0.00000
    121       1.0990      0.00000
    122       1.1777      0.00000
    123       1.2495      0.00000
    124       1.3345      0.00000
    125       1.4207      0.00000
    126       1.5879      0.00000
    127       1.7604      0.00000
    128       1.8299      0.00000
    129       1.8449      0.00000
    130       1.8773      0.00000
    131       2.0360      0.00000
    132       2.2039      0.00000
    133       2.2318      0.00000
    134       2.2648      0.00000
    135       2.4770      0.00000
    136       2.6173      0.00000
    137       2.6290      0.00000
    138       2.7415      0.00000
    139       2.7854      0.00000
    140       2.8340      0.00000
    141       2.8435      0.00000
    142       2.8624      0.00000
    143       2.9406      0.00000
    144       3.0581      0.00000
    145       3.2880      0.00000
    146       3.3489      0.00000
    147       3.3968      0.00000
    148       3.4117      0.00000
    149       3.4223      0.00000
    150       3.5777      0.00000
    151       3.6314      0.00000
    152       3.6799      0.00000
    153       3.7210      0.00000
    154       3.8933      0.00000
    155       3.9111      0.00000
    156       3.9450      0.00000
    157       4.0952      0.00000
    158       4.1909      0.00000
    159       4.2619      0.00000
    160       4.3754      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2053      1.00000
      2     -22.1142      1.00000
      3     -21.9513      1.00000
      4     -21.3988      1.00000
      5     -21.0423      1.00000
      6     -21.0142      1.00000
      7     -20.4918      1.00000
      8     -20.4622      1.00000
      9     -20.2851      1.00000
     10     -20.2835      1.00000
     11     -19.9501      1.00000
     12     -19.8865      1.00000
     13     -18.8754      1.00000
     14     -18.8073      1.00000
     15     -18.3412      1.00000
     16     -18.3210      1.00000
     17     -18.1456      1.00000
     18     -18.1383      1.00000
     19     -17.8188      1.00000
     20     -17.7997      1.00000
     21     -17.2487      1.00000
     22     -17.2304      1.00000
     23     -17.1812      1.00000
     24     -17.1233      1.00000
     25     -16.0959      1.00000
     26     -15.8816      1.00000
     27     -15.8708      1.00000
     28     -15.8216      1.00000
     29     -15.2522      1.00000
     30     -14.5459      1.00000
     31     -14.5277      1.00000
     32     -14.2966      1.00000
     33     -13.9701      1.00000
     34     -13.9454      1.00000
     35     -13.8153      1.00000
     36     -13.7925      1.00000
     37     -13.6107      1.00000
     38     -13.5843      1.00000
     39     -13.3619      1.00000
     40     -12.6233      1.00000
     41     -12.1750      1.00000
     42     -12.1476      1.00000
     43     -12.0706      1.00000
     44     -12.0232      1.00000
     45     -11.6634      1.00000
     46     -11.6588      1.00000
     47     -11.1318      1.00000
     48     -11.1211      1.00000
     49     -10.7881      1.00000
     50     -10.7314      1.00000
     51     -10.5342      1.00000
     52     -10.2116      1.00000
     53     -10.2057      1.00000
     54     -10.1671      1.00000
     55     -10.0189      1.00000
     56      -9.9894      1.00000
     57      -9.9851      1.00000
     58      -9.8057      1.00000
     59      -9.7979      1.00000
     60      -9.7570      1.00000
     61      -9.7485      1.00000
     62      -9.4482      1.00000
     63      -9.4124      1.00000
     64      -9.0803      1.00000
     65      -9.0399      1.00000
     66      -9.0223      1.00000
     67      -8.9897      1.00000
     68      -8.8987      1.00000
     69      -8.7135      1.00000
     70      -8.7049      1.00000
     71      -8.5602      1.00000
     72      -8.5504      1.00000
     73      -8.4806      1.00000
     74      -8.4690      1.00000
     75      -8.4614      1.00000
     76      -8.3088      1.00000
     77      -8.0979      1.00000
     78      -8.0896      1.00000
     79      -7.9080      1.00000
     80      -7.8253      1.00000
     81      -7.5938      1.00000
     82      -7.5588      1.00000
     83      -7.4356      1.00000
     84      -7.3182      1.00000
     85      -6.9805      1.00000
     86      -6.9081      1.00000
     87      -6.8621      1.00000
     88      -6.5432      1.00000
     89      -6.5177      1.00000
     90      -6.4843      1.00000
     91      -6.4101      1.00000
     92      -5.9340      1.00000
     93      -5.9153      1.00000
     94      -5.7884      1.00000
     95      -5.7723      1.00000
     96      -5.3782      1.00000
     97      -5.3660      1.00000
     98      -5.2436      1.00000
     99      -5.2108      1.00000
    100      -5.1908      1.00000
    101      -4.7100      1.00000
    102      -4.4446      1.00000
    103      -4.1910      1.00000
    104      -3.8250      1.00000
    105      -3.5665      1.00000
    106      -3.2067      1.00000
    107      -2.5849      0.00000
    108      -1.4775      0.00000
    109      -1.2511      0.00000
    110      -1.2026      0.00000
    111      -1.1931      0.00000
    112      -0.6458      0.00000
    113      -0.5460      0.00000
    114      -0.4145      0.00000
    115      -0.3517      0.00000
    116      -0.0757      0.00000
    117      -0.0569      0.00000
    118       0.1269      0.00000
    119       0.5784      0.00000
    120       0.6141      0.00000
    121       0.8541      0.00000
    122       0.9763      0.00000
    123       1.0051      0.00000
    124       1.4912      0.00000
    125       1.6801      0.00000
    126       1.7459      0.00000
    127       1.8563      0.00000
    128       2.1140      0.00000
    129       2.1226      0.00000
    130       2.1787      0.00000
    131       2.1976      0.00000
    132       2.2411      0.00000
    133       2.3377      0.00000
    134       2.4865      0.00000
    135       2.5068      0.00000
    136       2.6605      0.00000
    137       2.8477      0.00000
    138       2.8549      0.00000
    139       2.9492      0.00000
    140       3.0030      0.00000
    141       3.0437      0.00000
    142       3.1278      0.00000
    143       3.1838      0.00000
    144       3.2378      0.00000
    145       3.2458      0.00000
    146       3.2766      0.00000
    147       3.2918      0.00000
    148       3.3461      0.00000
    149       3.3942      0.00000
    150       3.5314      0.00000
    151       3.5544      0.00000
    152       3.6388      0.00000
    153       3.6455      0.00000
    154       3.6885      0.00000
    155       3.7091      0.00000
    156       3.8918      0.00000
    157       3.9610      0.00000
    158       4.0567      0.00000
    159       4.0849      0.00000
    160       4.1720      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2786      1.00000
      2     -22.0741      1.00000
      3     -21.7145      1.00000
      4     -21.6757      1.00000
      5     -20.9783      1.00000
      6     -20.9312      1.00000
      7     -20.6076      1.00000
      8     -20.5778      1.00000
      9     -20.5625      1.00000
     10     -20.0321      1.00000
     11     -19.5066      1.00000
     12     -19.4752      1.00000
     13     -19.3045      1.00000
     14     -19.2906      1.00000
     15     -18.4510      1.00000
     16     -18.4086      1.00000
     17     -17.9228      1.00000
     18     -17.9015      1.00000
     19     -17.7700      1.00000
     20     -17.7258      1.00000
     21     -17.4369      1.00000
     22     -17.4174      1.00000
     23     -17.3546      1.00000
     24     -16.4557      1.00000
     25     -16.4463      1.00000
     26     -15.9549      1.00000
     27     -15.4087      1.00000
     28     -15.4074      1.00000
     29     -15.0931      1.00000
     30     -15.0904      1.00000
     31     -14.8732      1.00000
     32     -14.8598      1.00000
     33     -14.2902      1.00000
     34     -14.2460      1.00000
     35     -13.4374      1.00000
     36     -13.3929      1.00000
     37     -13.1796      1.00000
     38     -13.1772      1.00000
     39     -12.9748      1.00000
     40     -12.9651      1.00000
     41     -12.6195      1.00000
     42     -12.6164      1.00000
     43     -12.1955      1.00000
     44     -11.5779      1.00000
     45     -11.5367      1.00000
     46     -11.3141      1.00000
     47     -11.2838      1.00000
     48     -11.1406      1.00000
     49     -10.6866      1.00000
     50     -10.6549      1.00000
     51     -10.5438      1.00000
     52     -10.3246      1.00000
     53     -10.3166      1.00000
     54     -10.1725      1.00000
     55     -10.1163      1.00000
     56     -10.1033      1.00000
     57      -9.8079      1.00000
     58      -9.7495      1.00000
     59      -9.7493      1.00000
     60      -9.6999      1.00000
     61      -9.6953      1.00000
     62      -9.6416      1.00000
     63      -9.3490      1.00000
     64      -9.3479      1.00000
     65      -9.3116      1.00000
     66      -9.0262      1.00000
     67      -8.9700      1.00000
     68      -8.9656      1.00000
     69      -8.7729      1.00000
     70      -8.5903      1.00000
     71      -8.5877      1.00000
     72      -8.4268      1.00000
     73      -8.3504      1.00000
     74      -8.3322      1.00000
     75      -8.3111      1.00000
     76      -8.2785      1.00000
     77      -8.2720      1.00000
     78      -8.2412      1.00000
     79      -7.9213      1.00000
     80      -7.7350      1.00000
     81      -7.3608      1.00000
     82      -7.3296      1.00000
     83      -7.3262      1.00000
     84      -7.2068      1.00000
     85      -7.1509      1.00000
     86      -7.0561      1.00000
     87      -6.9515      1.00000
     88      -6.8964      1.00000
     89      -6.6291      1.00000
     90      -6.5416      1.00000
     91      -6.2906      1.00000
     92      -6.0029      1.00000
     93      -5.9683      1.00000
     94      -5.6692      1.00000
     95      -5.6419      1.00000
     96      -5.3981      1.00000
     97      -5.3337      1.00000
     98      -5.3031      1.00000
     99      -5.2111      1.00000
    100      -5.1975      1.00000
    101      -4.5142      1.00000
    102      -4.3384      1.00000
    103      -3.9853      1.00000
    104      -3.8791      1.00000
    105      -3.7917      1.00000
    106      -3.4440      1.00000
    107      -2.0562      0.00000
    108      -1.8837      0.00000
    109      -1.2257      0.00000
    110      -1.1676      0.00000
    111      -1.0446      0.00000
    112      -0.7783      0.00000
    113      -0.6711      0.00000
    114      -0.6673      0.00000
    115      -0.6006      0.00000
    116      -0.1032      0.00000
    117       0.2278      0.00000
    118       0.2427      0.00000
    119       0.7669      0.00000
    120       0.9785      0.00000
    121       1.0680      0.00000
    122       1.2303      0.00000
    123       1.2428      0.00000
    124       1.3381      0.00000
    125       1.5634      0.00000
    126       1.5699      0.00000
    127       1.6849      0.00000
    128       1.8052      0.00000
    129       1.9400      0.00000
    130       1.9430      0.00000
    131       2.0654      0.00000
    132       2.2797      0.00000
    133       2.3368      0.00000
    134       2.4111      0.00000
    135       2.5412      0.00000
    136       2.6219      0.00000
    137       2.7576      0.00000
    138       2.8147      0.00000
    139       2.8365      0.00000
    140       2.8647      0.00000
    141       3.0450      0.00000
    142       3.0931      0.00000
    143       3.1434      0.00000
    144       3.2144      0.00000
    145       3.3556      0.00000
    146       3.3973      0.00000
    147       3.5044      0.00000
    148       3.5332      0.00000
    149       3.5805      0.00000
    150       3.6151      0.00000
    151       3.6291      0.00000
    152       3.7274      0.00000
    153       3.7290      0.00000
    154       3.7604      0.00000
    155       3.8053      0.00000
    156       3.8557      0.00000
    157       4.0082      0.00000
    158       4.0825      0.00000
    159       4.1687      0.00000
    160       4.2530      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0452   -7.3914    4.1990   -1.2760   -0.2388   17.5451    0.1476   -0.5331    0.6344   -0.4651
x    -3.0885   -0.0374   -0.0631    0.0616   -0.0088   -2.9738   -0.0111   -0.0070    0.0049    0.0016
x    -0.0949    0.0017   -0.0013    0.0004    0.0003   -0.0238   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0452    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0037    0.0000    0.0002    0.0005    0.0007   -0.0979   -0.0091    0.0376    0.0375
y    -0.0453   -3.2492   -0.5383   -0.1633   -1.1846   -0.6057
z   204.0452    1.1296   -0.2802    0.0413    0.0094    0.0638    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0774    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1129
z    -0.2848    0.1865   -0.0381    0.0476   -0.1091    0.0013
 total charge-density along one line
x   212.0000  -10.2182    6.1460   -2.0857   -0.4744   19.4600   -0.9954    0.4729   -0.0440   -0.1268
x    -2.6403   -0.0277   -0.0610    0.0845   -0.0531   -2.2231   -0.0251   -0.0025    0.0052    0.0021
x    -0.0883    0.0059   -0.0050    0.0027   -0.0007   -0.0358   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2182    6.1460   -2.0857   -0.4744   19.4600   -0.9954    0.4729   -0.0440   -0.1268
y    -2.6403   -0.0277   -0.0610    0.0845   -0.0531   -2.2231   -0.0251   -0.0025    0.0052    0.0021
y    -0.0883    0.0059   -0.0050    0.0027   -0.0007   -0.0358   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4937  189.2913 -170.3511  153.6046 -139.3581  125.3304 -110.0075   93.8632  -78.2578
z    64.0596  -51.4183   40.3614  -31.1597   24.0639  -18.8826   14.9753  -11.6732    8.6807   -6.0954
z     4.1107   -2.7420    1.8075   -1.1000    0.5315   -0.1206   -0.1163    0.2315   -0.3113    0.4006
z    -0.4767    0.4937   -0.4411    0.3560   -0.2867    0.2512   -0.2330    0.2084   -0.1708    0.1317
z    -0.1036    0.0879   -0.0767    0.0637   -0.0492    0.0375   -0.0309    0.0276   -0.0243    0.0198
z    -0.0152    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0032   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.843   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.007   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.104   0.000   0.030   0.007   0.000   0.220
  0.000   0.130   0.000 -11.158   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.837  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.220   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.843   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.007   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.104   0.000   0.030   0.007   0.000   0.220
  0.000   0.130   0.000 -11.158   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.837  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.220   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.213   0.000   0.000   0.269   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.028  -0.191  -0.031   0.000   0.093   0.000   0.000
  0.000   0.213   0.000   1.565   0.000   0.000  -0.312   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.269   0.000  -0.312   0.000   0.000   0.158   0.000  -0.191   0.000   0.000   0.000   0.010   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.415   0.000   0.077   0.584  -0.239   0.000   0.056   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.379   0.000   0.000   0.000  -0.051   0.000   0.068   0.007
 -0.025   0.000   0.028   0.000   0.026  -0.034   0.000   0.077   0.000   0.041   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.584   0.000   0.164   1.368  -0.419   0.000   0.282   0.000   0.000
 -0.017   0.000  -0.031   0.000   0.010   0.082   0.000  -0.239   0.000  -0.047  -0.419   0.176   0.000  -0.033   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.010   0.000  -0.051   0.000   0.000   0.000   0.029   0.000  -0.035  -0.001
 -0.041   0.000   0.093   0.000   0.026  -0.094   0.000   0.056   0.000   0.053   0.282  -0.033   0.000   0.264   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.068   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.263   8.028   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.646
  5        0.864   1.783   0.000   2.647
  6        0.863   1.782   0.000   2.645
  7        0.864   1.783   0.000   2.646
  8        0.864   1.782   0.000   2.645
  9        0.864   1.782   0.000   2.646
 10        0.864   1.784   0.000   2.647
 11        0.864   1.782   0.000   2.646
 12        0.863   1.784   0.000   2.647
 13        0.863   1.782   0.000   2.646
 14        0.864   1.783   0.000   2.646
 15        0.864   1.783   0.000   2.647
 16        0.864   1.773   0.000   2.637
 17        0.860   1.780   0.000   2.639
 18        0.863   1.785   0.000   2.648
 19        0.863   1.782   0.000   2.645
 20        0.863   1.782   0.000   2.646
 21        0.863   1.780   0.000   2.644
 22        0.864   1.770   0.000   2.633
 23        0.864   1.781   0.000   2.644
 24        0.864   1.782   0.000   2.645
 25        0.864   1.781   0.000   2.644
 26        0.863   1.781   0.000   2.644
 27        0.864   1.782   0.000   2.646
 28        0.864   1.784   0.000   2.647
 29        0.864   1.782   0.000   2.645
 30        0.864   1.784   0.000   2.647
 31        0.864   1.782   0.000   2.646
 32        0.863   1.781   0.000   2.644
 33        0.864   1.781   0.000   2.644
 34        0.863   1.782   0.000   2.645
 35        0.864   1.781   0.000   2.644
 36        0.864   1.770   0.000   2.633
 37        0.863   1.780   0.000   2.644
 38        0.863   1.782   0.000   2.646
 39        0.864   1.783   0.000   2.646
 40        0.863   1.785   0.000   2.648
 41        0.860   1.780   0.000   2.639
 42        0.864   1.773   0.000   2.637
 43        0.864   1.783   0.000   2.647
 44        0.864   1.782   0.000   2.646
 45        0.863   1.782   0.000   2.646
 46        0.863   1.784   0.000   2.647
 47        0.864   1.782   0.000   2.646
 48        0.864   1.784   0.000   2.647
 49        0.864   1.783   0.000   2.646
 50        0.864   1.782   0.000   2.645
 51        0.864   1.783   0.000   2.646
 52        0.863   1.782   0.000   2.645
 53        0.864   1.783   0.000   2.647
------------------------------------------------
tot       44.856  89.384   8.028 142.268
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time   90.23: CPU time   45.55
    FORLOC:  VPU time    1.09: CPU time    1.09
    FORNL :  VPU time  363.57: CPU time  182.16
    STRESS:  VPU time 1093.47: CPU time  549.32
    FORCOR:  VPU time    7.41: CPU time    7.41
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.16: CPU time    0.16


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.721878 eV

  energy  without entropy=     -471.721878  energy(sigma->0) =     -471.721878
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40783.80  40750.06 -47486.18    -29.21      0.00      0.00
  Hartree  40214.79  40197.53 -39474.24    -14.95      0.00      0.00
  E(xc)     -779.33   -779.59   -807.24     -0.23      0.00      0.00
  Local   -83284.06 -83239.80  84275.43     38.33      0.00      0.00
  n-local   -216.52   -215.59   -203.23      0.53      0.00      0.00
  augment     20.09     22.07     17.83      1.71      0.00      0.00
  Kinetic   3161.19   3175.19   3583.31      3.86      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -2.40      0.10     -0.39      2.17      0.00      0.00
  in kB       -1.46      0.06     -0.24      1.32      0.00      0.00
  external pressure =       -0.55 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.354189002 -0.007596778  0.000000000     0.080972992  0.046816259  0.000000000
    -6.183680148 10.695239201  0.000000000     0.000057515  0.093532798  0.000000000
     0.000000000  0.000000000 19.972602317     0.000000000  0.000000000  0.050068588

  length of vectors
    12.354191338 12.354191262 19.972602317     0.093532816  0.093532816  0.050068588


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.696E-05 -.476E-04 -.951E+03   0.450E-05 -.279E-04 0.960E+03   0.847E-21 0.169E-20 -.868E+01   -.132E-07 0.179E-08 -.200E-01
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.890E+00 -.252E+01   -.922E-04 0.528E-04 -.955E-03
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.890E+00 -.252E+01   0.922E-04 -.528E-04 -.955E-03
   -.260E+01 0.150E+01 0.163E+02   0.266E+01 -.154E+01 -.163E+02   0.282E-01 -.163E-01 -.223E-01   -.796E-03 0.458E-03 0.561E-03
   0.572E+01 0.707E+01 0.194E+02   -.566E+01 -.712E+01 -.193E+02   0.317E-01 0.543E-02 -.282E-01   0.609E-03 0.145E-02 0.485E-03
   0.107E+02 0.540E+01 0.161E+02   -.107E+02 -.545E+01 -.161E+02   0.524E-01 -.111E-01 -.501E-01   -.114E-02 0.157E-02 0.362E-03
   0.421E+01 -.610E+00 0.125E+02   -.416E+01 0.581E+00 -.124E+02   0.484E-01 -.278E-01 -.206E-01   -.211E-02 0.172E-02 0.522E-03
   -.360E+01 -.223E+01 0.126E+02   0.366E+01 0.220E+01 -.126E+02   0.303E-01 -.159E-01 -.124E-01   0.219E-02 -.593E-03 0.489E-03
   0.133E+00 0.424E+01 0.126E+02   -.721E-01 -.427E+01 -.126E+02   0.289E-01 -.184E-01 -.124E-01   0.161E-02 -.161E-02 0.487E-03
   0.197E+01 0.193E+02 0.240E+02   -.191E+01 -.194E+02 -.240E+02   0.256E-01 0.795E-01 -.471E-01   -.640E-03 0.128E-02 0.271E-03
   0.221E+02 0.217E+02 0.422E+02   -.221E+02 -.220E+02 -.422E+02   0.116E+00 0.245E+00 -.609E-01   -.599E-03 0.393E-02 0.899E-03
   0.264E+02 -.321E+01 0.256E+02   -.266E+02 0.328E+01 -.256E+02   0.299E+00 -.127E+00 -.336E-01   0.136E-02 0.430E-02 0.195E-03
   0.864E+01 -.499E+01 0.136E+02   -.862E+01 0.498E+01 -.136E+02   0.730E-01 -.422E-01 -.133E-01   0.120E-02 -.694E-03 0.374E-03
   0.263E+01 -.334E+01 0.125E+02   -.258E+01 0.331E+01 -.124E+02   0.482E-01 -.280E-01 -.206E-01   -.254E-02 0.963E-03 0.517E-03
   -.647E+01 0.139E+02 0.162E+02   0.653E+01 -.140E+02 -.161E+02   0.315E-01 0.555E-01 -.489E-01   0.143E-02 0.197E-02 0.364E-03
   -.124E+02 0.366E+02 0.478E+02   0.125E+02 -.372E+02 -.481E+02   0.929E-03 0.594E+00 0.298E+00   0.116E-02 0.435E-02 0.244E-02
   0.234E+02 -.135E+02 0.942E+02   -.239E+02 0.138E+02 -.963E+02   0.670E+00 -.387E+00 0.206E+01   0.356E-03 -.207E-03 0.613E-02
   0.160E+02 -.212E+02 0.256E+02   -.161E+02 0.214E+02 -.256E+02   0.259E+00 -.196E+00 -.336E-01   -.305E-02 -.333E-02 0.192E-03
   0.694E+00 -.120E+02 0.161E+02   -.636E+00 0.120E+02 -.161E+02   0.358E-01 -.398E-01 -.501E-01   -.192E-02 0.202E-03 0.360E-03
   -.463E+01 0.218E+01 0.116E+02   0.469E+01 -.222E+01 -.116E+02   0.328E-01 -.851E-02 -.426E-01   -.258E-02 0.629E-03 0.464E-03
   -.198E+02 0.114E+02 0.218E+02   0.199E+02 -.115E+02 -.218E+02   -.192E-01 0.111E-01 -.399E-01   -.221E-02 0.128E-02 0.109E-04
   -.379E+02 -.757E+01 0.478E+02   0.385E+02 0.782E+01 -.481E+02   -.514E+00 -.298E+00 0.298E+00   -.318E-02 -.318E-02 0.244E-02
   -.772E+01 -.300E+02 0.422E+02   0.797E+01 0.301E+02 -.422E+02   -.154E+00 -.223E+00 -.609E-01   -.370E-02 -.145E-02 0.898E-03
   -.326E+01 -.849E+01 0.194E+02   0.333E+01 0.846E+01 -.193E+02   0.111E-01 -.301E-01 -.282E-01   -.950E-03 -.125E-02 0.485E-03
   0.906E+00 -.523E+00 0.134E+02   -.843E+00 0.487E+00 -.134E+02   0.339E-01 -.196E-01 -.191E-01   -.330E-02 0.190E-02 0.239E-03
   -.420E+01 0.292E+01 0.116E+02   0.427E+01 -.295E+01 -.116E+02   0.238E-01 -.241E-01 -.426E-01   -.183E-02 0.192E-02 0.467E-03
   -.153E+02 -.135E+01 0.162E+02   0.154E+02 0.135E+01 -.161E+02   -.323E-01 -.550E-01 -.489E-01   -.992E-03 -.222E-02 0.368E-03
   -.157E+02 -.113E+02 0.240E+02   0.159E+02 0.114E+02 -.240E+02   -.560E-01 -.619E-01 -.471E-01   -.142E-02 -.864E-04 0.273E-03
   0.326E+01 0.849E+01 0.194E+02   -.333E+01 -.846E+01 -.193E+02   -.111E-01 0.301E-01 -.282E-01   0.950E-03 0.125E-02 0.485E-03
   0.157E+02 0.113E+02 0.240E+02   -.159E+02 -.114E+02 -.240E+02   0.560E-01 0.619E-01 -.471E-01   0.142E-02 0.864E-04 0.273E-03
   0.153E+02 0.135E+01 0.162E+02   -.154E+02 -.135E+01 -.161E+02   0.323E-01 0.550E-01 -.489E-01   0.992E-03 0.222E-02 0.368E-03
   0.420E+01 -.292E+01 0.116E+02   -.427E+01 0.295E+01 -.116E+02   -.238E-01 0.241E-01 -.426E-01   0.183E-02 -.192E-02 0.467E-03
   -.906E+00 0.523E+00 0.134E+02   0.843E+00 -.486E+00 -.134E+02   -.339E-01 0.196E-01 -.191E-01   0.330E-02 -.190E-02 0.239E-03
   -.694E+00 0.120E+02 0.161E+02   0.635E+00 -.120E+02 -.161E+02   -.358E-01 0.398E-01 -.501E-01   0.192E-02 -.202E-03 0.360E-03
   0.772E+01 0.300E+02 0.422E+02   -.797E+01 -.301E+02 -.422E+02   0.154E+00 0.223E+00 -.609E-01   0.370E-02 0.145E-02 0.898E-03
   0.379E+02 0.757E+01 0.478E+02   -.385E+02 -.782E+01 -.481E+02   0.514E+00 0.298E+00 0.298E+00   0.318E-02 0.318E-02 0.244E-02
   0.198E+02 -.114E+02 0.218E+02   -.199E+02 0.115E+02 -.218E+02   0.192E-01 -.111E-01 -.399E-01   0.221E-02 -.128E-02 0.109E-04
   0.463E+01 -.218E+01 0.116E+02   -.469E+01 0.222E+01 -.116E+02   -.328E-01 0.851E-02 -.426E-01   0.258E-02 -.629E-03 0.464E-03
   -.263E+01 0.334E+01 0.125E+02   0.258E+01 -.331E+01 -.124E+02   -.482E-01 0.280E-01 -.206E-01   0.254E-02 -.963E-03 0.517E-03
   -.160E+02 0.212E+02 0.256E+02   0.161E+02 -.214E+02 -.256E+02   -.259E+00 0.196E+00 -.336E-01   0.305E-02 0.333E-02 0.192E-03
   -.234E+02 0.135E+02 0.942E+02   0.239E+02 -.138E+02 -.963E+02   -.670E+00 0.387E+00 0.206E+01   -.356E-03 0.207E-03 0.613E-02
   0.124E+02 -.366E+02 0.478E+02   -.125E+02 0.372E+02 -.481E+02   -.929E-03 -.594E+00 0.298E+00   -.116E-02 -.435E-02 0.244E-02
   0.647E+01 -.139E+02 0.162E+02   -.653E+01 0.140E+02 -.161E+02   -.315E-01 -.555E-01 -.489E-01   -.143E-02 -.197E-02 0.364E-03
   -.133E+00 -.424E+01 0.126E+02   0.721E-01 0.427E+01 -.126E+02   -.289E-01 0.184E-01 -.124E-01   -.161E-02 0.161E-02 0.487E-03
   -.864E+01 0.499E+01 0.136E+02   0.862E+01 -.498E+01 -.136E+02   -.730E-01 0.422E-01 -.133E-01   -.120E-02 0.694E-03 0.374E-03
   -.264E+02 0.321E+01 0.256E+02   0.266E+02 -.328E+01 -.256E+02   -.299E+00 0.127E+00 -.336E-01   -.136E-02 -.430E-02 0.195E-03
   -.221E+02 -.217E+02 0.422E+02   0.221E+02 0.220E+02 -.422E+02   -.116E+00 -.245E+00 -.609E-01   0.599E-03 -.393E-02 0.899E-03
   -.197E+01 -.193E+02 0.240E+02   0.191E+01 0.194E+02 -.240E+02   -.256E-01 -.795E-01 -.471E-01   0.640E-03 -.128E-02 0.271E-03
   0.260E+01 -.150E+01 0.163E+02   -.266E+01 0.154E+01 -.163E+02   -.282E-01 0.163E-01 -.223E-01   0.796E-03 -.458E-03 0.561E-03
   0.360E+01 0.223E+01 0.126E+02   -.366E+01 -.220E+01 -.126E+02   -.303E-01 0.159E-01 -.124E-01   -.219E-02 0.593E-03 0.489E-03
   -.421E+01 0.610E+00 0.125E+02   0.416E+01 -.581E+00 -.124E+02   -.484E-01 0.278E-01 -.206E-01   0.211E-02 -.172E-02 0.522E-03
   -.107E+02 -.540E+01 0.161E+02   0.107E+02 0.545E+01 -.161E+02   -.524E-01 0.111E-01 -.501E-01   0.114E-02 -.157E-02 0.362E-03
   -.572E+01 -.707E+01 0.194E+02   0.566E+01 0.712E+01 -.193E+02   -.317E-01 -.543E-02 -.282E-01   -.609E-03 -.145E-02 0.485E-03
 -----------------------------------------------------------------------------------------------
   -.188E-02 0.343E-03 0.998E+01   -.163E-12 -.133E-12 0.689E-12   -.423E-15 -.130E-15 -.999E+01   -.180E-07 0.275E-08 0.187E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.84940      6.05734     12.25383         0.000000      0.000000      0.045610
      1.07123      6.50662     13.51322         0.007633     -0.004407      0.004780
      2.62756      5.60807     13.51322        -0.007633      0.004407      0.004780
     12.35359     -0.00725      9.90388         0.092721     -0.053532      0.001822
     11.11644      2.13027      9.90265         0.089506     -0.043741     -0.000633
      9.87878      4.27069      9.92272         0.090461     -0.054549     -0.002088
      8.64278      6.41007      9.93059         0.094139     -0.055658     -0.003166
      7.40677      8.54901      9.92089         0.090746     -0.053248      0.000551
      2.47024     -0.00132      9.92089         0.091487     -0.051964      0.000551
      1.23280      2.13626      9.91222         0.082712     -0.067968      0.000024
     -0.00655      4.27085      9.92497         0.110780     -0.051696     -0.003053
     -1.24418      6.41649      9.94682         0.086335     -0.050519      0.000331
     -2.47707      8.55523      9.93212         0.089494     -0.051669      0.000105
      4.94062     -0.00226      9.93059         0.095271     -0.053697     -0.003166
      3.70461      2.13441      9.93362         0.095475     -0.048876      0.000738
      2.46802      4.26686      9.96166         0.089682     -0.049907     -0.003319
      1.22496      6.41786      9.96799         0.084951     -0.049046     -0.009018
     -0.00842      8.55689      9.94682         0.086918     -0.049509      0.000331
      7.41138     -0.00298      9.92272         0.092471     -0.051067     -0.002088
      6.17473      2.13498      9.92896         0.093959     -0.051271     -0.000200
      4.93889      4.27363      9.94147         0.090564     -0.052287      0.002228
      3.70931      6.41684      9.96166         0.088061     -0.052714     -0.003319
      2.46857      8.55788      9.92497         0.100160     -0.070090     -0.003053
      9.88386     -0.00461      9.90265         0.082633     -0.055644     -0.000633
      8.64572      2.13349      9.91379         0.093525     -0.053997     -0.001093
      7.40894      4.27268      9.92896         0.091382     -0.055735     -0.000200
      6.17436      6.41215      9.93362         0.090065     -0.058246      0.000738
      4.93685      8.55187      9.91222         0.100218     -0.037647      0.000024
     -0.00139      1.42406      9.90265        -0.082633      0.055644     -0.000633
     -1.23806      3.56282      9.91222        -0.100218      0.037647      0.000024
     -2.47557      5.70254      9.93362        -0.090065      0.058246      0.000738
     -3.71014      7.84201      9.92896        -0.091382      0.055735     -0.000200
     -4.94693      9.98120      9.91379        -0.093525      0.053997     -0.001093
      2.47110      1.42243      9.92272        -0.092471      0.051067     -0.002088
      1.23022      3.55680      9.92497        -0.100160      0.070090     -0.003053
     -0.01051      5.69785      9.96166        -0.088061      0.052714     -0.003319
     -1.24010      7.84106      9.94147        -0.090564      0.052287      0.002228
     -2.47594      9.97971      9.92896        -0.093959      0.051271     -0.000200
      4.94185      1.42171      9.93059        -0.095271      0.053697     -0.003166
      3.70722      3.55780      9.94682        -0.086918      0.049509      0.000331
      2.47383      5.69682      9.96799        -0.084951      0.049046     -0.009018
      1.23078      7.84782      9.96166        -0.089682      0.049907     -0.003319
     -0.00582      9.98027      9.93362        -0.095475      0.048876      0.000738
      7.41223      1.42077      9.92089        -0.091487      0.051964      0.000551
      6.17586      3.55946      9.93212        -0.089494      0.051669      0.000105
      4.94297      5.69820      9.94682        -0.086335      0.050519      0.000331
      3.70534      7.84384      9.92497        -0.110780      0.051696     -0.003053
      2.46599      9.97842      9.91222        -0.082712      0.067968      0.000024
      9.88307      1.41910      9.90388        -0.092721      0.053532      0.001822
      8.64621      3.55808      9.92089        -0.090746      0.053248      0.000551
      7.41020      5.69702      9.93059        -0.094139      0.055658     -0.003166
      6.17420      7.83640      9.92272        -0.090461      0.054549     -0.002088
      4.93654      9.97682      9.90265        -0.089506      0.043741     -0.000633
 -----------------------------------------------------------------------------------
    total drift:                               -0.001882      0.000343      0.008449


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.69: CPU time    1.69
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.18: CPU time    1.18
    ORTHCH:  VPU time  150.61: CPU time   75.36
     LOOP+:  VPU time10367.37: CPU time 5303.71


----------------------------------------- Iteration    2(   1)  ---------------------------------------


    POTLOK:  VPU time    7.92: CPU time    7.74
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1474.29: CPU time  752.02
 BZINTS: Fermi energy: -3.229900;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.13: CPU time   46.29
    MIXING:  VPU time    0.13: CPU time    0.13
    ------------------------------------------
      LOOP:  VPU time 1572.81: CPU time  806.48

 eigenvalue-minimisations  :  6080
 total energy-change (2. order) :-0.4716753E+03  (-0.5257837E+00)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     7.9597376 magnetization   -0.0000001

 Broyden mixing:
  rms(total) = 0.78693E-01    rms(broyden)= 0.78649E-01
  rms(prec ) = 0.84170E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34086.99163100
  -1/2 Hartree   DENC   =    -40973.20086890
  -V(xc)+E(xc)   XCENC  =       726.46002756
  PAW double counting   =      4090.76424074    -4129.11231713
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2479.01786398
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.67529710 eV

  energy without entropy =     -471.67529710  energy(sigma->0) =     -471.67529710


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(   2)  ---------------------------------------


    POTLOK:  VPU time    7.71: CPU time    7.72
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1568.16: CPU time  800.16
 BZINTS: Fermi energy: -3.236422;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   89.97: CPU time   45.29
    MIXING:  VPU time    0.13: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1666.31: CPU time  853.62

 eigenvalue-minimisations  :  6616
 total energy-change (2. order) : 0.2731587E-02  (-0.1492810E-01)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     7.9585819 magnetization   -0.0000001

 Broyden mixing:
  rms(total) = 0.55267E-01    rms(broyden)= 0.55264E-01
  rms(prec ) = 0.58750E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.4575
  2.4575

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34086.99163100
  -1/2 Hartree   DENC   =    -40974.31740390
  -V(xc)+E(xc)   XCENC  =       726.49946353
  PAW double counting   =      4092.42007262    -4130.77208031
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2477.93410207
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.67256551 eV

  energy without entropy =     -471.67256551  energy(sigma->0) =     -471.67256551


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(   3)  ---------------------------------------


    POTLOK:  VPU time    7.70: CPU time    7.70
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1458.71: CPU time  744.53
 BZINTS: Fermi energy: -3.245833;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.11: CPU time   45.30
    MIXING:  VPU time    0.15: CPU time    0.15
    ------------------------------------------
      LOOP:  VPU time 1557.02: CPU time  797.99

 eigenvalue-minimisations  :  6016
 total energy-change (2. order) : 0.9308173E-02  (-0.3364439E-02)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     7.9579570 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.98505E-02    rms(broyden)= 0.98473E-02
  rms(prec ) = 0.10682E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5730
  2.0159  1.1302

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34086.99163100
  -1/2 Hartree   DENC   =    -40976.53663645
  -V(xc)+E(xc)   XCENC  =       726.57671474
  PAW double counting   =      4094.90316815    -4133.26589849
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2475.77208988
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.66325733 eV

  energy without entropy =     -471.66325733  energy(sigma->0) =     -471.66325733


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(   4)  ---------------------------------------


    POTLOK:  VPU time    7.70: CPU time    7.70
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1616.09: CPU time  824.37
 BZINTS: Fermi energy: -3.245475;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   89.98: CPU time   45.30
    MIXING:  VPU time    0.15: CPU time    0.15
    ------------------------------------------
      LOOP:  VPU time 1714.27: CPU time  877.83

 eigenvalue-minimisations  :  6880
 total energy-change (2. order) : 0.7444176E-05  (-0.5012391E-03)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     7.9569799 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.31353E-02    rms(broyden)= 0.31352E-02
  rms(prec ) = 0.33337E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6905
  1.2892  1.4881  2.2943

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34086.99163100
  -1/2 Hartree   DENC   =    -40976.37847438
  -V(xc)+E(xc)   XCENC  =       726.56531605
  PAW double counting   =      4094.42871222    -4132.78738319
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2475.92290519
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.66324989 eV

  energy without entropy =     -471.66324989  energy(sigma->0) =     -471.66324989


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(   5)  ---------------------------------------


    POTLOK:  VPU time    7.71: CPU time    7.71
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1129.73: CPU time  577.13
 BZINTS: Fermi energy: -3.245483;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1137.79: CPU time  585.16

 eigenvalue-minimisations  :  4176
 total energy-change (2. order) :-0.3425966E-05  (-0.9196195E-05)
 number of electron  212.0000058 magnetization    0.0000000
 augmentation part     7.9569799 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34086.99163100
  -1/2 Hartree   DENC   =    -40976.65172910
  -V(xc)+E(xc)   XCENC  =       726.56801151
  PAW double counting   =      4094.30719551    -4132.66340177
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2475.65481408
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.66325332 eV

  energy without entropy =     -471.66325332  energy(sigma->0) =     -471.66325332


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2209       2 -39.5496       3 -39.5496       4 -58.3187       5 -58.3221
       6 -58.3252       7 -58.3197       8 -58.3200       9 -58.3200      10 -58.3259
      11 -58.3918      12 -58.3567      13 -58.3283      14 -58.3197      15 -58.3301
      16 -58.5463      17 -58.7355      18 -58.3568      19 -58.3252      20 -58.3253
      21 -58.3632      22 -58.5463      23 -58.3919      24 -58.3221      25 -58.3279
      26 -58.3253      27 -58.3301      28 -58.3259      29 -58.3220      30 -58.3258
      31 -58.3300      32 -58.3252      33 -58.3278      34 -58.3251      35 -58.3918
      36 -58.5462      37 -58.3632      38 -58.3252      39 -58.3196      40 -58.3566
      41 -58.7354      42 -58.5463      43 -58.3300      44 -58.3199      45 -58.3282
      46 -58.3566      47 -58.3918      48 -58.3258      49 -58.3186      50 -58.3199
      51 -58.3196      52 -58.3251      53 -58.3220
 
 
 
 E-fermi :  -3.2455     XC(G=0):  -2.3733     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4294      1.00000
      2     -21.6072      1.00000
      3     -21.4836      1.00000
      4     -21.4758      1.00000
      5     -21.4442      1.00000
      6     -21.4431      1.00000
      7     -21.4335      1.00000
      8     -19.7130      1.00000
      9     -19.6528      1.00000
     10     -19.6401      1.00000
     11     -19.6183      1.00000
     12     -19.6165      1.00000
     13     -19.6145      1.00000
     14     -18.7975      1.00000
     15     -18.7508      1.00000
     16     -18.7465      1.00000
     17     -18.7362      1.00000
     18     -18.7158      1.00000
     19     -18.7138      1.00000
     20     -16.6762      1.00000
     21     -16.6200      1.00000
     22     -16.6127      1.00000
     23     -16.6073      1.00000
     24     -16.5298      1.00000
     25     -16.4999      1.00000
     26     -15.7041      1.00000
     27     -15.6556      1.00000
     28     -15.5597      1.00000
     29     -15.5558      1.00000
     30     -15.5257      1.00000
     31     -15.5222      1.00000
     32     -14.2814      1.00000
     33     -14.2710      1.00000
     34     -14.2305      1.00000
     35     -14.2226      1.00000
     36     -14.2225      1.00000
     37     -14.2222      1.00000
     38     -11.9445      1.00000
     39     -11.9159      1.00000
     40     -11.9087      1.00000
     41     -11.8917      1.00000
     42     -11.7965      1.00000
     43     -11.7863      1.00000
     44     -11.7805      1.00000
     45     -11.7678      1.00000
     46     -11.7411      1.00000
     47     -11.7329      1.00000
     48     -11.7264      1.00000
     49     -11.7035      1.00000
     50     -10.6840      1.00000
     51     -10.4634      1.00000
     52     -10.4572      1.00000
     53     -10.3445      1.00000
     54     -10.3382      1.00000
     55     -10.3228      1.00000
     56     -10.3148      1.00000
     57      -9.9125      1.00000
     58      -9.4496      1.00000
     59      -9.4115      1.00000
     60      -9.3693      1.00000
     61      -9.3608      1.00000
     62      -9.3571      1.00000
     63      -9.1694      1.00000
     64      -9.1307      1.00000
     65      -9.1168      1.00000
     66      -9.1115      1.00000
     67      -9.0965      1.00000
     68      -9.0879      1.00000
     69      -9.0796      1.00000
     70      -9.0671      1.00000
     71      -9.0405      1.00000
     72      -9.0241      1.00000
     73      -9.0227      1.00000
     74      -9.0212      1.00000
     75      -8.1421      1.00000
     76      -7.7432      1.00000
     77      -7.4935      1.00000
     78      -7.4775      1.00000
     79      -7.4765      1.00000
     80      -7.4565      1.00000
     81      -7.3869      1.00000
     82      -7.3729      1.00000
     83      -7.3298      1.00000
     84      -7.2676      1.00000
     85      -7.2611      1.00000
     86      -7.2468      1.00000
     87      -7.1588      1.00000
     88      -7.0486      1.00000
     89      -6.4661      1.00000
     90      -6.4432      1.00000
     91      -6.4269      1.00000
     92      -6.3736      1.00000
     93      -6.3287      1.00000
     94      -6.3080      1.00000
     95      -6.0826      1.00000
     96      -5.8418      1.00000
     97      -4.8354      1.00000
     98      -4.5626      1.00000
     99      -4.5142      1.00000
    100      -4.4625      1.00000
    101      -4.3698      1.00000
    102      -4.3267      1.00000
    103      -4.2892      1.00000
    104      -4.1969      1.00000
    105      -3.7437      1.00000
    106      -3.4812      1.00000
    107      -1.8241      0.00000
    108      -1.7587      0.00000
    109      -1.7086      0.00000
    110      -1.5498      0.00000
    111      -1.5480      0.00000
    112      -1.5383      0.00000
    113      -0.4187      0.00000
    114       0.0946      0.00000
    115       0.2133      0.00000
    116       0.2155      0.00000
    117       0.2837      0.00000
    118       0.2890      0.00000
    119       0.4942      0.00000
    120       0.5232      0.00000
    121       1.2237      0.00000
    122       1.2830      0.00000
    123       1.4945      0.00000
    124       1.7468      0.00000
    125       1.7477      0.00000
    126       1.7504      0.00000
    127       1.7964      0.00000
    128       1.8162      0.00000
    129       1.9389      0.00000
    130       1.9421      0.00000
    131       1.9588      0.00000
    132       2.0042      0.00000
    133       2.0146      0.00000
    134       2.0675      0.00000
    135       2.2119      0.00000
    136       2.3301      0.00000
    137       2.5538      0.00000
    138       2.5566      0.00000
    139       2.5713      0.00000
    140       2.6785      0.00000
    141       2.9269      0.00000
    142       3.0506      0.00000
    143       3.0536      0.00000
    144       3.0670      0.00000
    145       3.0848      0.00000
    146       3.0890      0.00000
    147       3.0898      0.00000
    148       3.2412      0.00000
    149       3.4302      0.00000
    150       3.4687      0.00000
    151       3.8277      0.00000
    152       3.9118      0.00000
    153       3.9133      0.00000
    154       3.9228      0.00000
    155       3.9374      0.00000
    156       3.9862      0.00000
    157       4.1638      0.00000
    158       4.2376      0.00000
    159       4.2393      0.00000
    160       4.2681      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3928      1.00000
      2     -21.8343      1.00000
      3     -21.6414      1.00000
      4     -21.6128      1.00000
      5     -21.2780      1.00000
      6     -21.2381      1.00000
      7     -21.0617      1.00000
      8     -20.1730      1.00000
      9     -20.1334      1.00000
     10     -19.6088      1.00000
     11     -19.5983      1.00000
     12     -19.4249      1.00000
     13     -19.0971      1.00000
     14     -19.0593      1.00000
     15     -19.0548      1.00000
     16     -19.0440      1.00000
     17     -18.3714      1.00000
     18     -18.3441      1.00000
     19     -18.0342      1.00000
     20     -17.0926      1.00000
     21     -17.0457      1.00000
     22     -16.9786      1.00000
     23     -16.8994      1.00000
     24     -16.4876      1.00000
     25     -16.4210      1.00000
     26     -15.6827      1.00000
     27     -15.5685      1.00000
     28     -15.3250      1.00000
     29     -15.2284      1.00000
     30     -15.1708      1.00000
     31     -15.0838      1.00000
     32     -15.0393      1.00000
     33     -14.7318      1.00000
     34     -14.6819      1.00000
     35     -13.7570      1.00000
     36     -13.7200      1.00000
     37     -13.2260      1.00000
     38     -12.6382      1.00000
     39     -12.5275      1.00000
     40     -12.4582      1.00000
     41     -12.4272      1.00000
     42     -12.1521      1.00000
     43     -12.1324      1.00000
     44     -11.7359      1.00000
     45     -11.6994      1.00000
     46     -11.2845      1.00000
     47     -11.1530      1.00000
     48     -11.0332      1.00000
     49     -10.9938      1.00000
     50     -10.9914      1.00000
     51     -10.8836      1.00000
     52     -10.6373      1.00000
     53     -10.1343      1.00000
     54     -10.1152      1.00000
     55     -10.0785      1.00000
     56     -10.0015      1.00000
     57      -9.7807      1.00000
     58      -9.6682      1.00000
     59      -9.6494      1.00000
     60      -9.6300      1.00000
     61      -9.5816      1.00000
     62      -9.5356      1.00000
     63      -9.3230      1.00000
     64      -9.2823      1.00000
     65      -9.2792      1.00000
     66      -9.2512      1.00000
     67      -9.1387      1.00000
     68      -9.1250      1.00000
     69      -9.0884      1.00000
     70      -8.9474      1.00000
     71      -8.8909      1.00000
     72      -8.6670      1.00000
     73      -8.5987      1.00000
     74      -8.2470      1.00000
     75      -8.0784      1.00000
     76      -7.9152      1.00000
     77      -7.8910      1.00000
     78      -7.8107      1.00000
     79      -7.7132      1.00000
     80      -7.7027      1.00000
     81      -7.5582      1.00000
     82      -7.3374      1.00000
     83      -7.2642      1.00000
     84      -7.2014      1.00000
     85      -7.1218      1.00000
     86      -7.0474      1.00000
     87      -7.0456      1.00000
     88      -6.7224      1.00000
     89      -6.6873      1.00000
     90      -6.6388      1.00000
     91      -6.5880      1.00000
     92      -6.1884      1.00000
     93      -6.0849      1.00000
     94      -5.9768      1.00000
     95      -5.9664      1.00000
     96      -5.8171      1.00000
     97      -5.0099      1.00000
     98      -4.8288      1.00000
     99      -4.7424      1.00000
    100      -4.6923      1.00000
    101      -4.4814      1.00000
    102      -4.2140      1.00000
    103      -4.1508      1.00000
    104      -4.1065      1.00000
    105      -3.7289      1.00000
    106      -3.4905      1.00000
    107      -1.9080      0.00000
    108      -1.8379      0.00000
    109      -1.5176      0.00000
    110      -1.4397      0.00000
    111      -1.2888      0.00000
    112      -1.2465      0.00000
    113      -0.6902      0.00000
    114      -0.3724      0.00000
    115      -0.2880      0.00000
    116       0.0548      0.00000
    117       0.5338      0.00000
    118       0.6499      0.00000
    119       0.7560      0.00000
    120       1.0280      0.00000
    121       1.1289      0.00000
    122       1.1487      0.00000
    123       1.2361      0.00000
    124       1.3599      0.00000
    125       1.5010      0.00000
    126       1.5448      0.00000
    127       1.6910      0.00000
    128       1.8016      0.00000
    129       1.8277      0.00000
    130       1.8591      0.00000
    131       2.0729      0.00000
    132       2.1523      0.00000
    133       2.2127      0.00000
    134       2.2710      0.00000
    135       2.4811      0.00000
    136       2.5465      0.00000
    137       2.6281      0.00000
    138       2.7471      0.00000
    139       2.7737      0.00000
    140       2.8488      0.00000
    141       2.8587      0.00000
    142       2.8642      0.00000
    143       2.9276      0.00000
    144       3.0262      0.00000
    145       3.1267      0.00000
    146       3.2700      0.00000
    147       3.3793      0.00000
    148       3.4232      0.00000
    149       3.4399      0.00000
    150       3.5843      0.00000
    151       3.6268      0.00000
    152       3.6492      0.00000
    153       3.6949      0.00000
    154       3.8710      0.00000
    155       3.9213      0.00000
    156       3.9821      0.00000
    157       4.0321      0.00000
    158       4.2070      0.00000
    159       4.2254      0.00000
    160       4.2393      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2869      1.00000
      2     -22.0815      1.00000
      3     -21.7196      1.00000
      4     -21.6872      1.00000
      5     -20.9834      1.00000
      6     -20.9420      1.00000
      7     -20.6165      1.00000
      8     -20.5802      1.00000
      9     -20.5728      1.00000
     10     -20.0392      1.00000
     11     -19.5042      1.00000
     12     -19.4918      1.00000
     13     -19.3099      1.00000
     14     -19.2999      1.00000
     15     -18.4581      1.00000
     16     -18.4177      1.00000
     17     -17.9384      1.00000
     18     -17.8993      1.00000
     19     -17.7759      1.00000
     20     -17.7352      1.00000
     21     -17.4596      1.00000
     22     -17.4055      1.00000
     23     -17.3693      1.00000
     24     -16.4627      1.00000
     25     -16.4433      1.00000
     26     -15.9393      1.00000
     27     -15.4625      1.00000
     28     -15.3806      1.00000
     29     -15.1347      1.00000
     30     -15.0729      1.00000
     31     -14.9048      1.00000
     32     -14.8680      1.00000
     33     -14.2899      1.00000
     34     -14.2251      1.00000
     35     -13.4476      1.00000
     36     -13.3615      1.00000
     37     -13.2091      1.00000
     38     -13.1768      1.00000
     39     -12.9725      1.00000
     40     -12.9530      1.00000
     41     -12.6490      1.00000
     42     -12.6214      1.00000
     43     -12.1871      1.00000
     44     -11.6040      1.00000
     45     -11.5505      1.00000
     46     -11.3568      1.00000
     47     -11.2816      1.00000
     48     -11.1298      1.00000
     49     -10.7230      1.00000
     50     -10.6078      1.00000
     51     -10.5565      1.00000
     52     -10.3378      1.00000
     53     -10.3012      1.00000
     54     -10.1823      1.00000
     55     -10.1577      1.00000
     56     -10.0679      1.00000
     57      -9.8017      1.00000
     58      -9.7612      1.00000
     59      -9.7373      1.00000
     60      -9.7079      1.00000
     61      -9.6698      1.00000
     62      -9.6622      1.00000
     63      -9.3595      1.00000
     64      -9.3326      1.00000
     65      -9.3229      1.00000
     66      -9.0672      1.00000
     67      -9.0042      1.00000
     68      -8.9130      1.00000
     69      -8.8009      1.00000
     70      -8.6142      1.00000
     71      -8.5677      1.00000
     72      -8.4026      1.00000
     73      -8.3801      1.00000
     74      -8.3727      1.00000
     75      -8.3309      1.00000
     76      -8.3172      1.00000
     77      -8.2686      1.00000
     78      -8.2302      1.00000
     79      -7.9172      1.00000
     80      -7.6590      1.00000
     81      -7.5525      1.00000
     82      -7.3426      1.00000
     83      -7.2963      1.00000
     84      -7.2059      1.00000
     85      -7.0960      1.00000
     86      -7.0263      1.00000
     87      -6.9407      1.00000
     88      -6.8339      1.00000
     89      -6.6465      1.00000
     90      -6.5554      1.00000
     91      -6.2825      1.00000
     92      -6.0695      1.00000
     93      -5.9622      1.00000
     94      -5.7017      1.00000
     95      -5.5728      1.00000
     96      -5.4901      1.00000
     97      -5.3642      1.00000
     98      -5.2894      1.00000
     99      -5.2611      1.00000
    100      -5.1337      1.00000
    101      -4.5141      1.00000
    102      -4.2145      1.00000
    103      -4.0441      1.00000
    104      -3.9652      1.00000
    105      -3.6908      1.00000
    106      -3.4977      1.00000
    107      -1.9901      0.00000
    108      -1.9264      0.00000
    109      -1.3132      0.00000
    110      -1.1455      0.00000
    111      -1.0323      0.00000
    112      -0.7903      0.00000
    113      -0.7322      0.00000
    114      -0.6217      0.00000
    115      -0.5717      0.00000
    116      -0.0894      0.00000
    117       0.2170      0.00000
    118       0.3615      0.00000
    119       0.6729      0.00000
    120       0.8678      0.00000
    121       1.0943      0.00000
    122       1.1917      0.00000
    123       1.3022      0.00000
    124       1.3945      0.00000
    125       1.5155      0.00000
    126       1.5608      0.00000
    127       1.6421      0.00000
    128       1.7899      0.00000
    129       1.8482      0.00000
    130       2.0220      0.00000
    131       2.1080      0.00000
    132       2.3208      0.00000
    133       2.3606      0.00000
    134       2.3633      0.00000
    135       2.5102      0.00000
    136       2.6104      0.00000
    137       2.6950      0.00000
    138       2.7553      0.00000
    139       2.8185      0.00000
    140       2.8574      0.00000
    141       3.0157      0.00000
    142       3.0321      0.00000
    143       3.1239      0.00000
    144       3.2300      0.00000
    145       3.3296      0.00000
    146       3.3826      0.00000
    147       3.4020      0.00000
    148       3.5512      0.00000
    149       3.5642      0.00000
    150       3.5686      0.00000
    151       3.6395      0.00000
    152       3.6741      0.00000
    153       3.7537      0.00000
    154       3.7710      0.00000
    155       3.7967      0.00000
    156       3.8598      0.00000
    157       3.8842      0.00000
    158       3.9554      0.00000
    159       4.1731      0.00000
    160       4.2182      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3210      1.00000
      2     -21.9660      1.00000
      3     -21.8972      1.00000
      4     -21.3830      1.00000
      5     -21.3531      1.00000
      6     -20.8455      1.00000
      7     -20.7806      1.00000
      8     -20.6315      1.00000
      9     -20.0782      1.00000
     10     -20.0702      1.00000
     11     -19.7228      1.00000
     12     -19.6981      1.00000
     13     -19.0002      1.00000
     14     -18.9917      1.00000
     15     -18.6320      1.00000
     16     -18.6181      1.00000
     17     -18.4779      1.00000
     18     -17.6989      1.00000
     19     -17.6465      1.00000
     20     -17.6430      1.00000
     21     -17.6027      1.00000
     22     -17.1247      1.00000
     23     -17.1089      1.00000
     24     -16.9025      1.00000
     25     -16.0137      1.00000
     26     -15.9369      1.00000
     27     -15.5652      1.00000
     28     -15.5630      1.00000
     29     -15.3855      1.00000
     30     -14.8311      1.00000
     31     -14.8062      1.00000
     32     -14.5903      1.00000
     33     -14.5519      1.00000
     34     -14.2010      1.00000
     35     -14.1895      1.00000
     36     -13.0866      1.00000
     37     -13.0765      1.00000
     38     -13.0331      1.00000
     39     -13.0316      1.00000
     40     -12.7061      1.00000
     41     -12.6997      1.00000
     42     -12.3361      1.00000
     43     -12.3059      1.00000
     44     -11.6844      1.00000
     45     -11.6671      1.00000
     46     -11.6435      1.00000
     47     -10.9727      1.00000
     48     -10.9429      1.00000
     49     -10.6242      1.00000
     50     -10.5970      1.00000
     51     -10.5376      1.00000
     52     -10.4933      1.00000
     53     -10.4916      1.00000
     54     -10.3542      1.00000
     55     -10.3401      1.00000
     56     -10.1036      1.00000
     57      -9.9068      1.00000
     58      -9.5832      1.00000
     59      -9.5316      1.00000
     60      -9.4602      1.00000
     61      -9.4274      1.00000
     62      -9.4118      1.00000
     63      -9.3423      1.00000
     64      -9.3379      1.00000
     65      -9.2841      1.00000
     66      -9.2358      1.00000
     67      -9.2060      1.00000
     68      -9.2048      1.00000
     69      -8.8798      1.00000
     70      -8.8705      1.00000
     71      -8.8272      1.00000
     72      -8.6098      1.00000
     73      -8.4955      1.00000
     74      -8.2346      1.00000
     75      -8.2044      1.00000
     76      -8.0172      1.00000
     77      -7.9548      1.00000
     78      -7.7927      1.00000
     79      -7.7831      1.00000
     80      -7.7196      1.00000
     81      -7.6984      1.00000
     82      -7.6198      1.00000
     83      -7.4546      1.00000
     84      -7.3129      1.00000
     85      -7.2600      1.00000
     86      -6.8952      1.00000
     87      -6.8949      1.00000
     88      -6.5920      1.00000
     89      -6.5535      1.00000
     90      -6.3281      1.00000
     91      -6.2943      1.00000
     92      -6.2161      1.00000
     93      -6.1957      1.00000
     94      -6.0594      1.00000
     95      -5.5916      1.00000
     96      -5.5309      1.00000
     97      -5.3933      1.00000
     98      -5.2669      1.00000
     99      -4.9036      1.00000
    100      -4.7421      1.00000
    101      -4.6742      1.00000
    102      -4.3882      1.00000
    103      -4.2109      1.00000
    104      -3.8586      1.00000
    105      -3.5128      1.00000
    106      -3.4874      1.00000
    107      -2.3460      0.00000
    108      -1.4625      0.00000
    109      -1.4560      0.00000
    110      -1.2609      0.00000
    111      -1.0754      0.00000
    112      -0.9023      0.00000
    113      -0.8139      0.00000
    114      -0.7490      0.00000
    115      -0.1299      0.00000
    116       0.0537      0.00000
    117       0.1993      0.00000
    118       0.4189      0.00000
    119       0.6284      0.00000
    120       0.8222      0.00000
    121       0.9246      0.00000
    122       1.0449      0.00000
    123       1.2100      0.00000
    124       1.4306      0.00000
    125       1.5130      0.00000
    126       1.7721      0.00000
    127       1.7887      0.00000
    128       1.8589      0.00000
    129       1.9285      0.00000
    130       2.0236      0.00000
    131       2.1429      0.00000
    132       2.1763      0.00000
    133       2.3728      0.00000
    134       2.4558      0.00000
    135       2.5184      0.00000
    136       2.5703      0.00000
    137       2.6103      0.00000
    138       2.6645      0.00000
    139       2.7455      0.00000
    140       2.7982      0.00000
    141       2.9186      0.00000
    142       3.0441      0.00000
    143       3.1570      0.00000
    144       3.2082      0.00000
    145       3.2399      0.00000
    146       3.2951      0.00000
    147       3.2975      0.00000
    148       3.4335      0.00000
    149       3.4553      0.00000
    150       3.6739      0.00000
    151       3.6773      0.00000
    152       3.7354      0.00000
    153       3.8461      0.00000
    154       3.8836      0.00000
    155       3.9102      0.00000
    156       3.9948      0.00000
    157       4.0157      0.00000
    158       4.0410      0.00000
    159       4.0647      0.00000
    160       4.2021      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2140      1.00000
      2     -22.1210      1.00000
      3     -21.9598      1.00000
      4     -21.4069      1.00000
      5     -21.0541      1.00000
      6     -21.0176      1.00000
      7     -20.5048      1.00000
      8     -20.4643      1.00000
      9     -20.3013      1.00000
     10     -20.2812      1.00000
     11     -19.9590      1.00000
     12     -19.8930      1.00000
     13     -18.8828      1.00000
     14     -18.8131      1.00000
     15     -18.3642      1.00000
     16     -18.3153      1.00000
     17     -18.1652      1.00000
     18     -18.1307      1.00000
     19     -17.8403      1.00000
     20     -17.7948      1.00000
     21     -17.2822      1.00000
     22     -17.2068      1.00000
     23     -17.1950      1.00000
     24     -17.1280      1.00000
     25     -16.0743      1.00000
     26     -15.9446      1.00000
     27     -15.8421      1.00000
     28     -15.8236      1.00000
     29     -15.2676      1.00000
     30     -14.5823      1.00000
     31     -14.5121      1.00000
     32     -14.3197      1.00000
     33     -13.9681      1.00000
     34     -13.9267      1.00000
     35     -13.8446      1.00000
     36     -13.7442      1.00000
     37     -13.6393      1.00000
     38     -13.5858      1.00000
     39     -13.3618      1.00000
     40     -12.6093      1.00000
     41     -12.2079      1.00000
     42     -12.1475      1.00000
     43     -12.1160      1.00000
     44     -12.0168      1.00000
     45     -11.6627      1.00000
     46     -11.6399      1.00000
     47     -11.1748      1.00000
     48     -11.0926      1.00000
     49     -10.8168      1.00000
     50     -10.7431      1.00000
     51     -10.5355      1.00000
     52     -10.2302      1.00000
     53     -10.1853      1.00000
     54     -10.1684      1.00000
     55     -10.0149      1.00000
     56     -10.0021      1.00000
     57      -9.9751      1.00000
     58      -9.8272      1.00000
     59      -9.8077      1.00000
     60      -9.7774      1.00000
     61      -9.6798      1.00000
     62      -9.4684      1.00000
     63      -9.4207      1.00000
     64      -9.0901      1.00000
     65      -9.0656      1.00000
     66      -9.0224      1.00000
     67      -9.0021      1.00000
     68      -8.8819      1.00000
     69      -8.7536      1.00000
     70      -8.6638      1.00000
     71      -8.5953      1.00000
     72      -8.5760      1.00000
     73      -8.5408      1.00000
     74      -8.4962      1.00000
     75      -8.4098      1.00000
     76      -8.2603      1.00000
     77      -8.1382      1.00000
     78      -8.0523      1.00000
     79      -7.8670      1.00000
     80      -7.8646      1.00000
     81      -7.6295      1.00000
     82      -7.5827      1.00000
     83      -7.5089      1.00000
     84      -7.2706      1.00000
     85      -7.0014      1.00000
     86      -6.8788      1.00000
     87      -6.8192      1.00000
     88      -6.6079      1.00000
     89      -6.4811      1.00000
     90      -6.4596      1.00000
     91      -6.3872      1.00000
     92      -6.0115      1.00000
     93      -5.9136      1.00000
     94      -5.8238      1.00000
     95      -5.7188      1.00000
     96      -5.4639      1.00000
     97      -5.3427      1.00000
     98      -5.2647      1.00000
     99      -5.2609      1.00000
    100      -5.1147      1.00000
    101      -4.6816      1.00000
    102      -4.4178      1.00000
    103      -4.2166      1.00000
    104      -3.8337      1.00000
    105      -3.5340      1.00000
    106      -3.2478      1.00000
    107      -2.5685      0.00000
    108      -1.4421      0.00000
    109      -1.3333      0.00000
    110      -1.2253      0.00000
    111      -1.1506      0.00000
    112      -0.7028      0.00000
    113      -0.5093      0.00000
    114      -0.4181      0.00000
    115      -0.3381      0.00000
    116      -0.1244      0.00000
    117       0.0178      0.00000
    118       0.2129      0.00000
    119       0.5221      0.00000
    120       0.6042      0.00000
    121       0.7759      0.00000
    122       0.8860      0.00000
    123       1.1119      0.00000
    124       1.4589      0.00000
    125       1.6162      0.00000
    126       1.8072      0.00000
    127       1.8974      0.00000
    128       2.0668      0.00000
    129       2.0885      0.00000
    130       2.1361      0.00000
    131       2.1738      0.00000
    132       2.2620      0.00000
    133       2.3239      0.00000
    134       2.4637      0.00000
    135       2.5642      0.00000
    136       2.6294      0.00000
    137       2.8224      0.00000
    138       2.8799      0.00000
    139       2.8875      0.00000
    140       2.9759      0.00000
    141       3.0025      0.00000
    142       3.1118      0.00000
    143       3.1771      0.00000
    144       3.2142      0.00000
    145       3.2562      0.00000
    146       3.2621      0.00000
    147       3.2719      0.00000
    148       3.3289      0.00000
    149       3.3814      0.00000
    150       3.4118      0.00000
    151       3.5089      0.00000
    152       3.5924      0.00000
    153       3.6949      0.00000
    154       3.7075      0.00000
    155       3.7397      0.00000
    156       3.8745      0.00000
    157       3.9159      0.00000
    158       3.9762      0.00000
    159       4.0801      0.00000
    160       4.1927      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3204      1.00000
      2     -21.9678      1.00000
      3     -21.8954      1.00000
      4     -21.3890      1.00000
      5     -21.3523      1.00000
      6     -20.8419      1.00000
      7     -20.7752      1.00000
      8     -20.6266      1.00000
      9     -20.0959      1.00000
     10     -20.0661      1.00000
     11     -19.7225      1.00000
     12     -19.6910      1.00000
     13     -19.0172      1.00000
     14     -18.9812      1.00000
     15     -18.6612      1.00000
     16     -18.6262      1.00000
     17     -18.4591      1.00000
     18     -17.6720      1.00000
     19     -17.6366      1.00000
     20     -17.6015      1.00000
     21     -17.5717      1.00000
     22     -17.1554      1.00000
     23     -17.0955      1.00000
     24     -17.0011      1.00000
     25     -16.0499      1.00000
     26     -15.8856      1.00000
     27     -15.6367      1.00000
     28     -15.5674      1.00000
     29     -15.2338      1.00000
     30     -14.9072      1.00000
     31     -14.8404      1.00000
     32     -14.6113      1.00000
     33     -14.4963      1.00000
     34     -14.1604      1.00000
     35     -14.1412      1.00000
     36     -13.2015      1.00000
     37     -13.1143      1.00000
     38     -13.0601      1.00000
     39     -12.9802      1.00000
     40     -12.7429      1.00000
     41     -12.6875      1.00000
     42     -12.3713      1.00000
     43     -12.2946      1.00000
     44     -11.6439      1.00000
     45     -11.5812      1.00000
     46     -11.5362      1.00000
     47     -10.9405      1.00000
     48     -10.9058      1.00000
     49     -10.6916      1.00000
     50     -10.6149      1.00000
     51     -10.5810      1.00000
     52     -10.5331      1.00000
     53     -10.4850      1.00000
     54     -10.4670      1.00000
     55     -10.3711      1.00000
     56     -10.1082      1.00000
     57      -9.9006      1.00000
     58      -9.6258      1.00000
     59      -9.5682      1.00000
     60      -9.4701      1.00000
     61      -9.4267      1.00000
     62      -9.4175      1.00000
     63      -9.3956      1.00000
     64      -9.3710      1.00000
     65      -9.2734      1.00000
     66      -9.1748      1.00000
     67      -9.0944      1.00000
     68      -9.0664      1.00000
     69      -8.8882      1.00000
     70      -8.8312      1.00000
     71      -8.8057      1.00000
     72      -8.5929      1.00000
     73      -8.5269      1.00000
     74      -8.1965      1.00000
     75      -8.1357      1.00000
     76      -8.0832      1.00000
     77      -7.9226      1.00000
     78      -7.8460      1.00000
     79      -7.8248      1.00000
     80      -7.7789      1.00000
     81      -7.6500      1.00000
     82      -7.6048      1.00000
     83      -7.5270      1.00000
     84      -7.3633      1.00000
     85      -7.1640      1.00000
     86      -6.9760      1.00000
     87      -6.8217      1.00000
     88      -6.6234      1.00000
     89      -6.5325      1.00000
     90      -6.4931      1.00000
     91      -6.3265      1.00000
     92      -6.2715      1.00000
     93      -6.1227      1.00000
     94      -5.9927      1.00000
     95      -5.5637      1.00000
     96      -5.3994      1.00000
     97      -5.3194      1.00000
     98      -5.1774      1.00000
     99      -5.0856      1.00000
    100      -4.7665      1.00000
    101      -4.6460      1.00000
    102      -4.4215      1.00000
    103      -4.2060      1.00000
    104      -3.8489      1.00000
    105      -3.6613      1.00000
    106      -3.4306      1.00000
    107      -2.2542      0.00000
    108      -1.4881      0.00000
    109      -1.3091      0.00000
    110      -1.2140      0.00000
    111      -1.0703      0.00000
    112      -1.0039      0.00000
    113      -0.9070      0.00000
    114      -0.8100      0.00000
    115      -0.2483      0.00000
    116       0.2259      0.00000
    117       0.2297      0.00000
    118       0.3651      0.00000
    119       0.6685      0.00000
    120       0.8586      0.00000
    121       0.9562      0.00000
    122       1.0263      0.00000
    123       1.1517      0.00000
    124       1.4870      0.00000
    125       1.5200      0.00000
    126       1.6809      0.00000
    127       1.7592      0.00000
    128       1.8331      0.00000
    129       1.9266      0.00000
    130       1.9615      0.00000
    131       2.1688      0.00000
    132       2.2225      0.00000
    133       2.3811      0.00000
    134       2.4508      0.00000
    135       2.5334      0.00000
    136       2.5909      0.00000
    137       2.6409      0.00000
    138       2.6725      0.00000
    139       2.7336      0.00000
    140       2.8275      0.00000
    141       3.0096      0.00000
    142       3.0489      0.00000
    143       3.1609      0.00000
    144       3.2237      0.00000
    145       3.2335      0.00000
    146       3.2811      0.00000
    147       3.3136      0.00000
    148       3.4178      0.00000
    149       3.4818      0.00000
    150       3.6638      0.00000
    151       3.6937      0.00000
    152       3.6990      0.00000
    153       3.8006      0.00000
    154       3.8714      0.00000
    155       3.8933      0.00000
    156       3.9498      0.00000
    157       3.9942      0.00000
    158       4.0247      0.00000
    159       4.0521      0.00000
    160       4.0747      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3926      1.00000
      2     -21.8332      1.00000
      3     -21.6461      1.00000
      4     -21.6105      1.00000
      5     -21.2830      1.00000
      6     -21.2352      1.00000
      7     -21.0572      1.00000
      8     -20.1736      1.00000
      9     -20.1265      1.00000
     10     -19.6261      1.00000
     11     -19.6025      1.00000
     12     -19.4116      1.00000
     13     -19.0977      1.00000
     14     -19.0613      1.00000
     15     -19.0610      1.00000
     16     -19.0389      1.00000
     17     -18.3764      1.00000
     18     -18.3587      1.00000
     19     -18.0003      1.00000
     20     -17.0588      1.00000
     21     -17.0037      1.00000
     22     -16.9639      1.00000
     23     -16.9550      1.00000
     24     -16.5166      1.00000
     25     -16.5023      1.00000
     26     -15.5870      1.00000
     27     -15.5859      1.00000
     28     -15.2295      1.00000
     29     -15.2049      1.00000
     30     -15.1884      1.00000
     31     -15.1462      1.00000
     32     -15.1234      1.00000
     33     -14.6900      1.00000
     34     -14.6888      1.00000
     35     -13.7116      1.00000
     36     -13.7090      1.00000
     37     -13.2673      1.00000
     38     -12.6686      1.00000
     39     -12.6279      1.00000
     40     -12.4786      1.00000
     41     -12.4742      1.00000
     42     -12.0467      1.00000
     43     -12.0451      1.00000
     44     -11.6974      1.00000
     45     -11.6580      1.00000
     46     -11.2817      1.00000
     47     -11.2619      1.00000
     48     -11.0285      1.00000
     49     -11.0186      1.00000
     50     -10.8887      1.00000
     51     -10.8594      1.00000
     52     -10.6423      1.00000
     53     -10.2310      1.00000
     54     -10.2146      1.00000
     55     -10.1360      1.00000
     56     -10.0016      1.00000
     57      -9.6773      1.00000
     58      -9.6672      1.00000
     59      -9.6538      1.00000
     60      -9.5907      1.00000
     61      -9.5658      1.00000
     62      -9.5589      1.00000
     63      -9.3238      1.00000
     64      -9.3136      1.00000
     65      -9.2911      1.00000
     66      -9.2209      1.00000
     67      -9.1354      1.00000
     68      -9.1349      1.00000
     69      -9.1242      1.00000
     70      -8.9339      1.00000
     71      -8.8460      1.00000
     72      -8.5589      1.00000
     73      -8.5420      1.00000
     74      -8.2780      1.00000
     75      -8.1732      1.00000
     76      -7.8404      1.00000
     77      -7.8231      1.00000
     78      -7.7965      1.00000
     79      -7.7744      1.00000
     80      -7.7635      1.00000
     81      -7.4470      1.00000
     82      -7.3917      1.00000
     83      -7.3871      1.00000
     84      -7.2928      1.00000
     85      -7.1852      1.00000
     86      -6.9654      1.00000
     87      -6.9400      1.00000
     88      -6.7443      1.00000
     89      -6.7129      1.00000
     90      -6.6169      1.00000
     91      -6.5830      1.00000
     92      -6.2353      1.00000
     93      -6.0756      1.00000
     94      -6.0732      1.00000
     95      -5.9267      1.00000
     96      -5.6900      1.00000
     97      -5.0001      1.00000
     98      -4.8695      1.00000
     99      -4.6684      1.00000
    100      -4.6193      1.00000
    101      -4.4938      1.00000
    102      -4.3744      1.00000
    103      -4.1517      1.00000
    104      -4.0841      1.00000
    105      -3.7642      1.00000
    106      -3.4710      1.00000
    107      -1.9035      0.00000
    108      -1.7156      0.00000
    109      -1.4949      0.00000
    110      -1.3933      0.00000
    111      -1.3645      0.00000
    112      -1.3066      0.00000
    113      -0.7470      0.00000
    114      -0.4663      0.00000
    115      -0.2108      0.00000
    116       0.0696      0.00000
    117       0.5646      0.00000
    118       0.7197      0.00000
    119       0.7934      0.00000
    120       0.9955      0.00000
    121       1.0600      0.00000
    122       1.1425      0.00000
    123       1.2411      0.00000
    124       1.3001      0.00000
    125       1.4004      0.00000
    126       1.5548      0.00000
    127       1.7542      0.00000
    128       1.8343      0.00000
    129       1.8954      0.00000
    130       1.9164      0.00000
    131       2.0323      0.00000
    132       2.1861      0.00000
    133       2.1942      0.00000
    134       2.2421      0.00000
    135       2.4585      0.00000
    136       2.5878      0.00000
    137       2.6364      0.00000
    138       2.7037      0.00000
    139       2.7615      0.00000
    140       2.8105      0.00000
    141       2.8242      0.00000
    142       2.8625      0.00000
    143       2.9334      0.00000
    144       3.0279      0.00000
    145       3.2690      0.00000
    146       3.3343      0.00000
    147       3.3968      0.00000
    148       3.4053      0.00000
    149       3.4114      0.00000
    150       3.5546      0.00000
    151       3.6390      0.00000
    152       3.6452      0.00000
    153       3.7097      0.00000
    154       3.8686      0.00000
    155       3.8869      0.00000
    156       3.9279      0.00000
    157       4.0648      0.00000
    158       4.1737      0.00000
    159       4.2210      0.00000
    160       4.3463      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2124      1.00000
      2     -22.1219      1.00000
      3     -21.9606      1.00000
      4     -21.4100      1.00000
      5     -21.0488      1.00000
      6     -21.0198      1.00000
      7     -20.5001      1.00000
      8     -20.4691      1.00000
      9     -20.2858      1.00000
     10     -20.2825      1.00000
     11     -19.9648      1.00000
     12     -19.9023      1.00000
     13     -18.8961      1.00000
     14     -18.8289      1.00000
     15     -18.3295      1.00000
     16     -18.3138      1.00000
     17     -18.1566      1.00000
     18     -18.1475      1.00000
     19     -17.8091      1.00000
     20     -17.7943      1.00000
     21     -17.2863      1.00000
     22     -17.2636      1.00000
     23     -17.1615      1.00000
     24     -17.0998      1.00000
     25     -16.1972      1.00000
     26     -15.8990      1.00000
     27     -15.8540      1.00000
     28     -15.8445      1.00000
     29     -15.1636      1.00000
     30     -14.5495      1.00000
     31     -14.5308      1.00000
     32     -14.2056      1.00000
     33     -14.0110      1.00000
     34     -13.9909      1.00000
     35     -13.8693      1.00000
     36     -13.8489      1.00000
     37     -13.5756      1.00000
     38     -13.5537      1.00000
     39     -13.3913      1.00000
     40     -12.6967      1.00000
     41     -12.1407      1.00000
     42     -12.1175      1.00000
     43     -12.0346      1.00000
     44     -11.9882      1.00000
     45     -11.7038      1.00000
     46     -11.6990      1.00000
     47     -11.1443      1.00000
     48     -11.1309      1.00000
     49     -10.7631      1.00000
     50     -10.7071      1.00000
     51     -10.5397      1.00000
     52     -10.2161      1.00000
     53     -10.2098      1.00000
     54     -10.1721      1.00000
     55     -10.0499      1.00000
     56     -10.0233      1.00000
     57     -10.0022      1.00000
     58      -9.8251      1.00000
     59      -9.8106      1.00000
     60      -9.7977      1.00000
     61      -9.7933      1.00000
     62      -9.4370      1.00000
     63      -9.4249      1.00000
     64      -9.1161      1.00000
     65      -9.0851      1.00000
     66      -9.0339      1.00000
     67      -8.9156      1.00000
     68      -8.8587      1.00000
     69      -8.7110      1.00000
     70      -8.6991      1.00000
     71      -8.5233      1.00000
     72      -8.5114      1.00000
     73      -8.4795      1.00000
     74      -8.4273      1.00000
     75      -8.4257      1.00000
     76      -8.3085      1.00000
     77      -8.0875      1.00000
     78      -8.0850      1.00000
     79      -8.0269      1.00000
     80      -7.8445      1.00000
     81      -7.6208      1.00000
     82      -7.4586      1.00000
     83      -7.4382      1.00000
     84      -7.3175      1.00000
     85      -7.0905      1.00000
     86      -7.0061      1.00000
     87      -6.9954      1.00000
     88      -6.5370      1.00000
     89      -6.4619      1.00000
     90      -6.4356      1.00000
     91      -6.4015      1.00000
     92      -5.9149      1.00000
     93      -5.8801      1.00000
     94      -5.7888      1.00000
     95      -5.7842      1.00000
     96      -5.3686      1.00000
     97      -5.3535      1.00000
     98      -5.2298      1.00000
     99      -5.2278      1.00000
    100      -5.1423      1.00000
    101      -4.7643      1.00000
    102      -4.4496      1.00000
    103      -4.2030      1.00000
    104      -3.8225      1.00000
    105      -3.5829      1.00000
    106      -3.2784      1.00000
    107      -2.4951      0.00000
    108      -1.4284      0.00000
    109      -1.3672      0.00000
    110      -1.1461      0.00000
    111      -1.1295      0.00000
    112      -0.6612      0.00000
    113      -0.5928      0.00000
    114      -0.4282      0.00000
    115      -0.3391      0.00000
    116      -0.1172      0.00000
    117      -0.1094      0.00000
    118       0.1170      0.00000
    119       0.6334      0.00000
    120       0.6597      0.00000
    121       0.8347      0.00000
    122       0.9676      0.00000
    123       0.9867      0.00000
    124       1.4743      0.00000
    125       1.6556      0.00000
    126       1.7162      0.00000
    127       1.8213      0.00000
    128       2.0765      0.00000
    129       2.1424      0.00000
    130       2.1725      0.00000
    131       2.2356      0.00000
    132       2.2694      0.00000
    133       2.3429      0.00000
    134       2.4757      0.00000
    135       2.5125      0.00000
    136       2.6349      0.00000
    137       2.8211      0.00000
    138       2.8260      0.00000
    139       2.9242      0.00000
    140       2.9800      0.00000
    141       3.0035      0.00000
    142       3.1095      0.00000
    143       3.1811      0.00000
    144       3.2114      0.00000
    145       3.2178      0.00000
    146       3.2587      0.00000
    147       3.2869      0.00000
    148       3.3354      0.00000
    149       3.3748      0.00000
    150       3.5054      0.00000
    151       3.5323      0.00000
    152       3.6237      0.00000
    153       3.6255      0.00000
    154       3.6957      0.00000
    155       3.7147      0.00000
    156       3.8661      0.00000
    157       3.9214      0.00000
    158       3.9964      0.00000
    159       4.0288      0.00000
    160       4.1351      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2860      1.00000
      2     -22.0813      1.00000
      3     -21.7253      1.00000
      4     -21.6852      1.00000
      5     -20.9865      1.00000
      6     -20.9379      1.00000
      7     -20.6146      1.00000
      8     -20.5783      1.00000
      9     -20.5677      1.00000
     10     -20.0302      1.00000
     11     -19.5224      1.00000
     12     -19.4949      1.00000
     13     -19.3210      1.00000
     14     -19.3097      1.00000
     15     -18.4460      1.00000
     16     -18.4019      1.00000
     17     -17.9388      1.00000
     18     -17.9199      1.00000
     19     -17.7572      1.00000
     20     -17.7111      1.00000
     21     -17.4556      1.00000
     22     -17.4392      1.00000
     23     -17.2953      1.00000
     24     -16.5102      1.00000
     25     -16.4968      1.00000
     26     -16.0336      1.00000
     27     -15.3984      1.00000
     28     -15.3982      1.00000
     29     -15.0877      1.00000
     30     -15.0833      1.00000
     31     -14.7873      1.00000
     32     -14.7778      1.00000
     33     -14.3398      1.00000
     34     -14.2984      1.00000
     35     -13.4868      1.00000
     36     -13.4451      1.00000
     37     -13.1538      1.00000
     38     -13.1523      1.00000
     39     -13.0237      1.00000
     40     -13.0168      1.00000
     41     -12.5763      1.00000
     42     -12.5754      1.00000
     43     -12.2323      1.00000
     44     -11.5515      1.00000
     45     -11.5099      1.00000
     46     -11.2800      1.00000
     47     -11.2494      1.00000
     48     -11.1832      1.00000
     49     -10.7138      1.00000
     50     -10.6877      1.00000
     51     -10.5544      1.00000
     52     -10.3322      1.00000
     53     -10.3260      1.00000
     54     -10.1783      1.00000
     55     -10.1329      1.00000
     56     -10.1191      1.00000
     57      -9.8245      1.00000
     58      -9.7855      1.00000
     59      -9.7769      1.00000
     60      -9.7225      1.00000
     61      -9.7215      1.00000
     62      -9.6547      1.00000
     63      -9.3825      1.00000
     64      -9.3804      1.00000
     65      -9.2972      1.00000
     66      -9.0325      1.00000
     67      -8.9456      1.00000
     68      -8.9398      1.00000
     69      -8.7782      1.00000
     70      -8.5903      1.00000
     71      -8.5567      1.00000
     72      -8.4125      1.00000
     73      -8.3483      1.00000
     74      -8.3030      1.00000
     75      -8.2925      1.00000
     76      -8.2046      1.00000
     77      -8.1918      1.00000
     78      -8.1719      1.00000
     79      -7.9210      1.00000
     80      -7.7302      1.00000
     81      -7.4780      1.00000
     82      -7.4549      1.00000
     83      -7.3521      1.00000
     84      -7.2843      1.00000
     85      -7.1872      1.00000
     86      -7.0885      1.00000
     87      -6.9877      1.00000
     88      -6.9286      1.00000
     89      -6.6642      1.00000
     90      -6.5242      1.00000
     91      -6.1686      1.00000
     92      -5.9799      1.00000
     93      -5.9355      1.00000
     94      -5.7004      1.00000
     95      -5.6759      1.00000
     96      -5.3734      1.00000
     97      -5.2869      1.00000
     98      -5.2540      1.00000
     99      -5.2075      1.00000
    100      -5.1997      1.00000
    101      -4.5206      1.00000
    102      -4.3562      1.00000
    103      -4.0446      1.00000
    104      -3.9258      1.00000
    105      -3.8047      1.00000
    106      -3.4532      1.00000
    107      -1.9756      0.00000
    108      -1.7997      0.00000
    109      -1.2825      0.00000
    110      -1.1972      0.00000
    111      -1.0074      0.00000
    112      -0.7704      0.00000
    113      -0.7090      0.00000
    114      -0.6784      0.00000
    115      -0.6289      0.00000
    116      -0.1054      0.00000
    117       0.1742      0.00000
    118       0.2154      0.00000
    119       0.7471      0.00000
    120       0.9690      0.00000
    121       1.0790      0.00000
    122       1.2606      0.00000
    123       1.2692      0.00000
    124       1.3207      0.00000
    125       1.5821      0.00000
    126       1.6213      0.00000
    127       1.6830      0.00000
    128       1.7819      0.00000
    129       1.9065      0.00000
    130       1.9152      0.00000
    131       2.0820      0.00000
    132       2.2790      0.00000
    133       2.3130      0.00000
    134       2.3882      0.00000
    135       2.5044      0.00000
    136       2.6071      0.00000
    137       2.7577      0.00000
    138       2.8157      0.00000
    139       2.8180      0.00000
    140       2.8497      0.00000
    141       3.0252      0.00000
    142       3.0754      0.00000
    143       3.1126      0.00000
    144       3.1863      0.00000
    145       3.3391      0.00000
    146       3.3838      0.00000
    147       3.4615      0.00000
    148       3.4970      0.00000
    149       3.5614      0.00000
    150       3.5790      0.00000
    151       3.6049      0.00000
    152       3.7043      0.00000
    153       3.7176      0.00000
    154       3.7567      0.00000
    155       3.8098      0.00000
    156       3.8498      0.00000
    157       3.9750      0.00000
    158       4.0522      0.00000
    159       4.1397      0.00000
    160       4.1840      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4294      1.00000
      2     -21.6072      1.00000
      3     -21.4836      1.00000
      4     -21.4758      1.00000
      5     -21.4442      1.00000
      6     -21.4431      1.00000
      7     -21.4335      1.00000
      8     -19.7130      1.00000
      9     -19.6528      1.00000
     10     -19.6401      1.00000
     11     -19.6183      1.00000
     12     -19.6165      1.00000
     13     -19.6145      1.00000
     14     -18.7975      1.00000
     15     -18.7508      1.00000
     16     -18.7465      1.00000
     17     -18.7362      1.00000
     18     -18.7158      1.00000
     19     -18.7138      1.00000
     20     -16.6762      1.00000
     21     -16.6200      1.00000
     22     -16.6127      1.00000
     23     -16.6073      1.00000
     24     -16.5298      1.00000
     25     -16.4999      1.00000
     26     -15.7041      1.00000
     27     -15.6556      1.00000
     28     -15.5597      1.00000
     29     -15.5558      1.00000
     30     -15.5257      1.00000
     31     -15.5222      1.00000
     32     -14.2814      1.00000
     33     -14.2710      1.00000
     34     -14.2305      1.00000
     35     -14.2226      1.00000
     36     -14.2225      1.00000
     37     -14.2222      1.00000
     38     -11.9445      1.00000
     39     -11.9159      1.00000
     40     -11.9087      1.00000
     41     -11.8917      1.00000
     42     -11.7965      1.00000
     43     -11.7863      1.00000
     44     -11.7805      1.00000
     45     -11.7678      1.00000
     46     -11.7411      1.00000
     47     -11.7329      1.00000
     48     -11.7264      1.00000
     49     -11.7035      1.00000
     50     -10.6840      1.00000
     51     -10.4634      1.00000
     52     -10.4572      1.00000
     53     -10.3445      1.00000
     54     -10.3382      1.00000
     55     -10.3228      1.00000
     56     -10.3148      1.00000
     57      -9.9125      1.00000
     58      -9.4496      1.00000
     59      -9.4115      1.00000
     60      -9.3693      1.00000
     61      -9.3608      1.00000
     62      -9.3571      1.00000
     63      -9.1694      1.00000
     64      -9.1307      1.00000
     65      -9.1168      1.00000
     66      -9.1115      1.00000
     67      -9.0965      1.00000
     68      -9.0879      1.00000
     69      -9.0796      1.00000
     70      -9.0671      1.00000
     71      -9.0405      1.00000
     72      -9.0241      1.00000
     73      -9.0227      1.00000
     74      -9.0212      1.00000
     75      -8.1421      1.00000
     76      -7.7432      1.00000
     77      -7.4935      1.00000
     78      -7.4775      1.00000
     79      -7.4765      1.00000
     80      -7.4565      1.00000
     81      -7.3869      1.00000
     82      -7.3729      1.00000
     83      -7.3298      1.00000
     84      -7.2676      1.00000
     85      -7.2611      1.00000
     86      -7.2468      1.00000
     87      -7.1588      1.00000
     88      -7.0486      1.00000
     89      -6.4661      1.00000
     90      -6.4432      1.00000
     91      -6.4269      1.00000
     92      -6.3736      1.00000
     93      -6.3287      1.00000
     94      -6.3080      1.00000
     95      -6.0826      1.00000
     96      -5.8418      1.00000
     97      -4.8354      1.00000
     98      -4.5626      1.00000
     99      -4.5142      1.00000
    100      -4.4625      1.00000
    101      -4.3698      1.00000
    102      -4.3267      1.00000
    103      -4.2892      1.00000
    104      -4.1969      1.00000
    105      -3.7437      1.00000
    106      -3.4812      1.00000
    107      -1.8241      0.00000
    108      -1.7587      0.00000
    109      -1.7086      0.00000
    110      -1.5498      0.00000
    111      -1.5480      0.00000
    112      -1.5383      0.00000
    113      -0.4187      0.00000
    114       0.0946      0.00000
    115       0.2133      0.00000
    116       0.2155      0.00000
    117       0.2837      0.00000
    118       0.2890      0.00000
    119       0.4942      0.00000
    120       0.5232      0.00000
    121       1.2237      0.00000
    122       1.2830      0.00000
    123       1.4945      0.00000
    124       1.7468      0.00000
    125       1.7477      0.00000
    126       1.7504      0.00000
    127       1.7964      0.00000
    128       1.8162      0.00000
    129       1.9389      0.00000
    130       1.9421      0.00000
    131       1.9588      0.00000
    132       2.0042      0.00000
    133       2.0146      0.00000
    134       2.0675      0.00000
    135       2.2119      0.00000
    136       2.3301      0.00000
    137       2.5538      0.00000
    138       2.5566      0.00000
    139       2.5713      0.00000
    140       2.6785      0.00000
    141       2.9269      0.00000
    142       3.0506      0.00000
    143       3.0537      0.00000
    144       3.0670      0.00000
    145       3.0848      0.00000
    146       3.0891      0.00000
    147       3.0898      0.00000
    148       3.2412      0.00000
    149       3.4302      0.00000
    150       3.4687      0.00000
    151       3.8277      0.00000
    152       3.9118      0.00000
    153       3.9133      0.00000
    154       3.9228      0.00000
    155       3.9374      0.00000
    156       3.9862      0.00000
    157       4.1639      0.00000
    158       4.2377      0.00000
    159       4.2393      0.00000
    160       4.2681      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3928      1.00000
      2     -21.8343      1.00000
      3     -21.6414      1.00000
      4     -21.6128      1.00000
      5     -21.2780      1.00000
      6     -21.2381      1.00000
      7     -21.0617      1.00000
      8     -20.1730      1.00000
      9     -20.1334      1.00000
     10     -19.6088      1.00000
     11     -19.5983      1.00000
     12     -19.4249      1.00000
     13     -19.0971      1.00000
     14     -19.0593      1.00000
     15     -19.0548      1.00000
     16     -19.0440      1.00000
     17     -18.3714      1.00000
     18     -18.3441      1.00000
     19     -18.0342      1.00000
     20     -17.0926      1.00000
     21     -17.0457      1.00000
     22     -16.9786      1.00000
     23     -16.8994      1.00000
     24     -16.4876      1.00000
     25     -16.4210      1.00000
     26     -15.6827      1.00000
     27     -15.5685      1.00000
     28     -15.3250      1.00000
     29     -15.2284      1.00000
     30     -15.1708      1.00000
     31     -15.0838      1.00000
     32     -15.0393      1.00000
     33     -14.7318      1.00000
     34     -14.6819      1.00000
     35     -13.7570      1.00000
     36     -13.7200      1.00000
     37     -13.2260      1.00000
     38     -12.6382      1.00000
     39     -12.5275      1.00000
     40     -12.4582      1.00000
     41     -12.4272      1.00000
     42     -12.1521      1.00000
     43     -12.1324      1.00000
     44     -11.7359      1.00000
     45     -11.6994      1.00000
     46     -11.2845      1.00000
     47     -11.1530      1.00000
     48     -11.0332      1.00000
     49     -10.9938      1.00000
     50     -10.9914      1.00000
     51     -10.8836      1.00000
     52     -10.6373      1.00000
     53     -10.1343      1.00000
     54     -10.1152      1.00000
     55     -10.0785      1.00000
     56     -10.0015      1.00000
     57      -9.7807      1.00000
     58      -9.6682      1.00000
     59      -9.6494      1.00000
     60      -9.6300      1.00000
     61      -9.5816      1.00000
     62      -9.5356      1.00000
     63      -9.3230      1.00000
     64      -9.2823      1.00000
     65      -9.2792      1.00000
     66      -9.2512      1.00000
     67      -9.1387      1.00000
     68      -9.1250      1.00000
     69      -9.0884      1.00000
     70      -8.9474      1.00000
     71      -8.8909      1.00000
     72      -8.6670      1.00000
     73      -8.5987      1.00000
     74      -8.2470      1.00000
     75      -8.0784      1.00000
     76      -7.9152      1.00000
     77      -7.8910      1.00000
     78      -7.8107      1.00000
     79      -7.7132      1.00000
     80      -7.7027      1.00000
     81      -7.5582      1.00000
     82      -7.3374      1.00000
     83      -7.2642      1.00000
     84      -7.2014      1.00000
     85      -7.1218      1.00000
     86      -7.0474      1.00000
     87      -7.0456      1.00000
     88      -6.7224      1.00000
     89      -6.6873      1.00000
     90      -6.6388      1.00000
     91      -6.5880      1.00000
     92      -6.1884      1.00000
     93      -6.0849      1.00000
     94      -5.9768      1.00000
     95      -5.9664      1.00000
     96      -5.8171      1.00000
     97      -5.0099      1.00000
     98      -4.8288      1.00000
     99      -4.7424      1.00000
    100      -4.6923      1.00000
    101      -4.4814      1.00000
    102      -4.2140      1.00000
    103      -4.1508      1.00000
    104      -4.1065      1.00000
    105      -3.7289      1.00000
    106      -3.4905      1.00000
    107      -1.9080      0.00000
    108      -1.8379      0.00000
    109      -1.5176      0.00000
    110      -1.4397      0.00000
    111      -1.2888      0.00000
    112      -1.2465      0.00000
    113      -0.6902      0.00000
    114      -0.3724      0.00000
    115      -0.2880      0.00000
    116       0.0548      0.00000
    117       0.5338      0.00000
    118       0.6499      0.00000
    119       0.7560      0.00000
    120       1.0280      0.00000
    121       1.1289      0.00000
    122       1.1487      0.00000
    123       1.2361      0.00000
    124       1.3599      0.00000
    125       1.5010      0.00000
    126       1.5448      0.00000
    127       1.6910      0.00000
    128       1.8016      0.00000
    129       1.8277      0.00000
    130       1.8592      0.00000
    131       2.0729      0.00000
    132       2.1523      0.00000
    133       2.2127      0.00000
    134       2.2710      0.00000
    135       2.4811      0.00000
    136       2.5465      0.00000
    137       2.6281      0.00000
    138       2.7471      0.00000
    139       2.7737      0.00000
    140       2.8488      0.00000
    141       2.8588      0.00000
    142       2.8642      0.00000
    143       2.9276      0.00000
    144       3.0262      0.00000
    145       3.1267      0.00000
    146       3.2700      0.00000
    147       3.3793      0.00000
    148       3.4232      0.00000
    149       3.4399      0.00000
    150       3.5843      0.00000
    151       3.6268      0.00000
    152       3.6492      0.00000
    153       3.6949      0.00000
    154       3.8710      0.00000
    155       3.9213      0.00000
    156       3.9821      0.00000
    157       4.0321      0.00000
    158       4.2070      0.00000
    159       4.2254      0.00000
    160       4.2393      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2869      1.00000
      2     -22.0815      1.00000
      3     -21.7196      1.00000
      4     -21.6872      1.00000
      5     -20.9834      1.00000
      6     -20.9420      1.00000
      7     -20.6165      1.00000
      8     -20.5802      1.00000
      9     -20.5728      1.00000
     10     -20.0392      1.00000
     11     -19.5042      1.00000
     12     -19.4918      1.00000
     13     -19.3099      1.00000
     14     -19.2999      1.00000
     15     -18.4581      1.00000
     16     -18.4177      1.00000
     17     -17.9384      1.00000
     18     -17.8993      1.00000
     19     -17.7759      1.00000
     20     -17.7352      1.00000
     21     -17.4596      1.00000
     22     -17.4055      1.00000
     23     -17.3693      1.00000
     24     -16.4627      1.00000
     25     -16.4433      1.00000
     26     -15.9393      1.00000
     27     -15.4625      1.00000
     28     -15.3806      1.00000
     29     -15.1347      1.00000
     30     -15.0729      1.00000
     31     -14.9048      1.00000
     32     -14.8680      1.00000
     33     -14.2899      1.00000
     34     -14.2251      1.00000
     35     -13.4476      1.00000
     36     -13.3615      1.00000
     37     -13.2091      1.00000
     38     -13.1768      1.00000
     39     -12.9725      1.00000
     40     -12.9530      1.00000
     41     -12.6490      1.00000
     42     -12.6214      1.00000
     43     -12.1871      1.00000
     44     -11.6040      1.00000
     45     -11.5505      1.00000
     46     -11.3568      1.00000
     47     -11.2816      1.00000
     48     -11.1298      1.00000
     49     -10.7230      1.00000
     50     -10.6078      1.00000
     51     -10.5565      1.00000
     52     -10.3378      1.00000
     53     -10.3012      1.00000
     54     -10.1823      1.00000
     55     -10.1577      1.00000
     56     -10.0679      1.00000
     57      -9.8017      1.00000
     58      -9.7612      1.00000
     59      -9.7373      1.00000
     60      -9.7079      1.00000
     61      -9.6698      1.00000
     62      -9.6622      1.00000
     63      -9.3595      1.00000
     64      -9.3326      1.00000
     65      -9.3229      1.00000
     66      -9.0672      1.00000
     67      -9.0042      1.00000
     68      -8.9130      1.00000
     69      -8.8009      1.00000
     70      -8.6142      1.00000
     71      -8.5677      1.00000
     72      -8.4026      1.00000
     73      -8.3801      1.00000
     74      -8.3727      1.00000
     75      -8.3309      1.00000
     76      -8.3172      1.00000
     77      -8.2686      1.00000
     78      -8.2302      1.00000
     79      -7.9172      1.00000
     80      -7.6590      1.00000
     81      -7.5525      1.00000
     82      -7.3426      1.00000
     83      -7.2963      1.00000
     84      -7.2059      1.00000
     85      -7.0960      1.00000
     86      -7.0263      1.00000
     87      -6.9407      1.00000
     88      -6.8339      1.00000
     89      -6.6465      1.00000
     90      -6.5554      1.00000
     91      -6.2825      1.00000
     92      -6.0695      1.00000
     93      -5.9622      1.00000
     94      -5.7017      1.00000
     95      -5.5728      1.00000
     96      -5.4901      1.00000
     97      -5.3642      1.00000
     98      -5.2894      1.00000
     99      -5.2611      1.00000
    100      -5.1337      1.00000
    101      -4.5141      1.00000
    102      -4.2145      1.00000
    103      -4.0441      1.00000
    104      -3.9652      1.00000
    105      -3.6908      1.00000
    106      -3.4977      1.00000
    107      -1.9901      0.00000
    108      -1.9264      0.00000
    109      -1.3132      0.00000
    110      -1.1455      0.00000
    111      -1.0323      0.00000
    112      -0.7903      0.00000
    113      -0.7322      0.00000
    114      -0.6217      0.00000
    115      -0.5717      0.00000
    116      -0.0894      0.00000
    117       0.2170      0.00000
    118       0.3615      0.00000
    119       0.6729      0.00000
    120       0.8678      0.00000
    121       1.0943      0.00000
    122       1.1917      0.00000
    123       1.3022      0.00000
    124       1.3945      0.00000
    125       1.5155      0.00000
    126       1.5608      0.00000
    127       1.6421      0.00000
    128       1.7899      0.00000
    129       1.8482      0.00000
    130       2.0220      0.00000
    131       2.1080      0.00000
    132       2.3209      0.00000
    133       2.3606      0.00000
    134       2.3633      0.00000
    135       2.5102      0.00000
    136       2.6104      0.00000
    137       2.6950      0.00000
    138       2.7553      0.00000
    139       2.8185      0.00000
    140       2.8574      0.00000
    141       3.0157      0.00000
    142       3.0321      0.00000
    143       3.1239      0.00000
    144       3.2301      0.00000
    145       3.3296      0.00000
    146       3.3826      0.00000
    147       3.4020      0.00000
    148       3.5512      0.00000
    149       3.5642      0.00000
    150       3.5686      0.00000
    151       3.6395      0.00000
    152       3.6741      0.00000
    153       3.7537      0.00000
    154       3.7710      0.00000
    155       3.7967      0.00000
    156       3.8598      0.00000
    157       3.8842      0.00000
    158       3.9554      0.00000
    159       4.1732      0.00000
    160       4.2183      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3210      1.00000
      2     -21.9660      1.00000
      3     -21.8972      1.00000
      4     -21.3830      1.00000
      5     -21.3531      1.00000
      6     -20.8455      1.00000
      7     -20.7806      1.00000
      8     -20.6315      1.00000
      9     -20.0782      1.00000
     10     -20.0702      1.00000
     11     -19.7228      1.00000
     12     -19.6981      1.00000
     13     -19.0002      1.00000
     14     -18.9917      1.00000
     15     -18.6320      1.00000
     16     -18.6181      1.00000
     17     -18.4779      1.00000
     18     -17.6989      1.00000
     19     -17.6465      1.00000
     20     -17.6430      1.00000
     21     -17.6027      1.00000
     22     -17.1247      1.00000
     23     -17.1089      1.00000
     24     -16.9025      1.00000
     25     -16.0137      1.00000
     26     -15.9369      1.00000
     27     -15.5652      1.00000
     28     -15.5630      1.00000
     29     -15.3855      1.00000
     30     -14.8311      1.00000
     31     -14.8062      1.00000
     32     -14.5903      1.00000
     33     -14.5519      1.00000
     34     -14.2010      1.00000
     35     -14.1895      1.00000
     36     -13.0866      1.00000
     37     -13.0765      1.00000
     38     -13.0331      1.00000
     39     -13.0316      1.00000
     40     -12.7061      1.00000
     41     -12.6997      1.00000
     42     -12.3361      1.00000
     43     -12.3059      1.00000
     44     -11.6844      1.00000
     45     -11.6671      1.00000
     46     -11.6435      1.00000
     47     -10.9727      1.00000
     48     -10.9429      1.00000
     49     -10.6242      1.00000
     50     -10.5970      1.00000
     51     -10.5376      1.00000
     52     -10.4933      1.00000
     53     -10.4916      1.00000
     54     -10.3542      1.00000
     55     -10.3401      1.00000
     56     -10.1036      1.00000
     57      -9.9068      1.00000
     58      -9.5832      1.00000
     59      -9.5316      1.00000
     60      -9.4602      1.00000
     61      -9.4274      1.00000
     62      -9.4118      1.00000
     63      -9.3423      1.00000
     64      -9.3379      1.00000
     65      -9.2841      1.00000
     66      -9.2358      1.00000
     67      -9.2060      1.00000
     68      -9.2048      1.00000
     69      -8.8798      1.00000
     70      -8.8705      1.00000
     71      -8.8272      1.00000
     72      -8.6098      1.00000
     73      -8.4955      1.00000
     74      -8.2346      1.00000
     75      -8.2044      1.00000
     76      -8.0172      1.00000
     77      -7.9548      1.00000
     78      -7.7927      1.00000
     79      -7.7831      1.00000
     80      -7.7196      1.00000
     81      -7.6984      1.00000
     82      -7.6198      1.00000
     83      -7.4546      1.00000
     84      -7.3129      1.00000
     85      -7.2600      1.00000
     86      -6.8952      1.00000
     87      -6.8949      1.00000
     88      -6.5920      1.00000
     89      -6.5535      1.00000
     90      -6.3281      1.00000
     91      -6.2943      1.00000
     92      -6.2161      1.00000
     93      -6.1957      1.00000
     94      -6.0594      1.00000
     95      -5.5916      1.00000
     96      -5.5309      1.00000
     97      -5.3933      1.00000
     98      -5.2669      1.00000
     99      -4.9036      1.00000
    100      -4.7421      1.00000
    101      -4.6742      1.00000
    102      -4.3882      1.00000
    103      -4.2109      1.00000
    104      -3.8586      1.00000
    105      -3.5128      1.00000
    106      -3.4874      1.00000
    107      -2.3460      0.00000
    108      -1.4625      0.00000
    109      -1.4560      0.00000
    110      -1.2609      0.00000
    111      -1.0754      0.00000
    112      -0.9023      0.00000
    113      -0.8139      0.00000
    114      -0.7490      0.00000
    115      -0.1299      0.00000
    116       0.0537      0.00000
    117       0.1993      0.00000
    118       0.4189      0.00000
    119       0.6284      0.00000
    120       0.8222      0.00000
    121       0.9246      0.00000
    122       1.0449      0.00000
    123       1.2100      0.00000
    124       1.4306      0.00000
    125       1.5130      0.00000
    126       1.7721      0.00000
    127       1.7887      0.00000
    128       1.8589      0.00000
    129       1.9285      0.00000
    130       2.0236      0.00000
    131       2.1429      0.00000
    132       2.1763      0.00000
    133       2.3728      0.00000
    134       2.4558      0.00000
    135       2.5184      0.00000
    136       2.5703      0.00000
    137       2.6103      0.00000
    138       2.6645      0.00000
    139       2.7455      0.00000
    140       2.7983      0.00000
    141       2.9186      0.00000
    142       3.0441      0.00000
    143       3.1570      0.00000
    144       3.2083      0.00000
    145       3.2399      0.00000
    146       3.2951      0.00000
    147       3.2975      0.00000
    148       3.4335      0.00000
    149       3.4553      0.00000
    150       3.6739      0.00000
    151       3.6773      0.00000
    152       3.7354      0.00000
    153       3.8461      0.00000
    154       3.8836      0.00000
    155       3.9102      0.00000
    156       3.9948      0.00000
    157       4.0157      0.00000
    158       4.0411      0.00000
    159       4.0647      0.00000
    160       4.2019      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2140      1.00000
      2     -22.1210      1.00000
      3     -21.9598      1.00000
      4     -21.4069      1.00000
      5     -21.0541      1.00000
      6     -21.0176      1.00000
      7     -20.5048      1.00000
      8     -20.4643      1.00000
      9     -20.3013      1.00000
     10     -20.2812      1.00000
     11     -19.9590      1.00000
     12     -19.8930      1.00000
     13     -18.8828      1.00000
     14     -18.8131      1.00000
     15     -18.3642      1.00000
     16     -18.3153      1.00000
     17     -18.1652      1.00000
     18     -18.1307      1.00000
     19     -17.8403      1.00000
     20     -17.7948      1.00000
     21     -17.2822      1.00000
     22     -17.2068      1.00000
     23     -17.1950      1.00000
     24     -17.1280      1.00000
     25     -16.0743      1.00000
     26     -15.9446      1.00000
     27     -15.8421      1.00000
     28     -15.8236      1.00000
     29     -15.2676      1.00000
     30     -14.5823      1.00000
     31     -14.5121      1.00000
     32     -14.3197      1.00000
     33     -13.9681      1.00000
     34     -13.9267      1.00000
     35     -13.8446      1.00000
     36     -13.7442      1.00000
     37     -13.6393      1.00000
     38     -13.5858      1.00000
     39     -13.3618      1.00000
     40     -12.6093      1.00000
     41     -12.2079      1.00000
     42     -12.1475      1.00000
     43     -12.1160      1.00000
     44     -12.0168      1.00000
     45     -11.6627      1.00000
     46     -11.6399      1.00000
     47     -11.1748      1.00000
     48     -11.0926      1.00000
     49     -10.8168      1.00000
     50     -10.7431      1.00000
     51     -10.5355      1.00000
     52     -10.2302      1.00000
     53     -10.1853      1.00000
     54     -10.1684      1.00000
     55     -10.0149      1.00000
     56     -10.0021      1.00000
     57      -9.9751      1.00000
     58      -9.8272      1.00000
     59      -9.8077      1.00000
     60      -9.7774      1.00000
     61      -9.6798      1.00000
     62      -9.4684      1.00000
     63      -9.4207      1.00000
     64      -9.0901      1.00000
     65      -9.0656      1.00000
     66      -9.0224      1.00000
     67      -9.0021      1.00000
     68      -8.8819      1.00000
     69      -8.7536      1.00000
     70      -8.6638      1.00000
     71      -8.5953      1.00000
     72      -8.5760      1.00000
     73      -8.5408      1.00000
     74      -8.4962      1.00000
     75      -8.4098      1.00000
     76      -8.2603      1.00000
     77      -8.1382      1.00000
     78      -8.0523      1.00000
     79      -7.8670      1.00000
     80      -7.8646      1.00000
     81      -7.6295      1.00000
     82      -7.5827      1.00000
     83      -7.5089      1.00000
     84      -7.2706      1.00000
     85      -7.0014      1.00000
     86      -6.8788      1.00000
     87      -6.8192      1.00000
     88      -6.6079      1.00000
     89      -6.4811      1.00000
     90      -6.4596      1.00000
     91      -6.3872      1.00000
     92      -6.0115      1.00000
     93      -5.9136      1.00000
     94      -5.8238      1.00000
     95      -5.7188      1.00000
     96      -5.4639      1.00000
     97      -5.3427      1.00000
     98      -5.2647      1.00000
     99      -5.2609      1.00000
    100      -5.1147      1.00000
    101      -4.6816      1.00000
    102      -4.4178      1.00000
    103      -4.2166      1.00000
    104      -3.8337      1.00000
    105      -3.5340      1.00000
    106      -3.2478      1.00000
    107      -2.5685      0.00000
    108      -1.4421      0.00000
    109      -1.3333      0.00000
    110      -1.2253      0.00000
    111      -1.1506      0.00000
    112      -0.7028      0.00000
    113      -0.5093      0.00000
    114      -0.4181      0.00000
    115      -0.3381      0.00000
    116      -0.1244      0.00000
    117       0.0178      0.00000
    118       0.2129      0.00000
    119       0.5221      0.00000
    120       0.6041      0.00000
    121       0.7759      0.00000
    122       0.8860      0.00000
    123       1.1119      0.00000
    124       1.4589      0.00000
    125       1.6162      0.00000
    126       1.8072      0.00000
    127       1.8974      0.00000
    128       2.0668      0.00000
    129       2.0885      0.00000
    130       2.1362      0.00000
    131       2.1738      0.00000
    132       2.2620      0.00000
    133       2.3239      0.00000
    134       2.4637      0.00000
    135       2.5642      0.00000
    136       2.6294      0.00000
    137       2.8224      0.00000
    138       2.8799      0.00000
    139       2.8875      0.00000
    140       2.9759      0.00000
    141       3.0025      0.00000
    142       3.1118      0.00000
    143       3.1771      0.00000
    144       3.2142      0.00000
    145       3.2562      0.00000
    146       3.2621      0.00000
    147       3.2719      0.00000
    148       3.3289      0.00000
    149       3.3814      0.00000
    150       3.4118      0.00000
    151       3.5089      0.00000
    152       3.5924      0.00000
    153       3.6949      0.00000
    154       3.7075      0.00000
    155       3.7397      0.00000
    156       3.8745      0.00000
    157       3.9159      0.00000
    158       3.9762      0.00000
    159       4.0801      0.00000
    160       4.1926      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3204      1.00000
      2     -21.9678      1.00000
      3     -21.8954      1.00000
      4     -21.3890      1.00000
      5     -21.3523      1.00000
      6     -20.8419      1.00000
      7     -20.7752      1.00000
      8     -20.6266      1.00000
      9     -20.0959      1.00000
     10     -20.0661      1.00000
     11     -19.7225      1.00000
     12     -19.6910      1.00000
     13     -19.0172      1.00000
     14     -18.9812      1.00000
     15     -18.6612      1.00000
     16     -18.6262      1.00000
     17     -18.4591      1.00000
     18     -17.6720      1.00000
     19     -17.6366      1.00000
     20     -17.6015      1.00000
     21     -17.5717      1.00000
     22     -17.1554      1.00000
     23     -17.0955      1.00000
     24     -17.0011      1.00000
     25     -16.0499      1.00000
     26     -15.8856      1.00000
     27     -15.6367      1.00000
     28     -15.5674      1.00000
     29     -15.2338      1.00000
     30     -14.9072      1.00000
     31     -14.8404      1.00000
     32     -14.6113      1.00000
     33     -14.4963      1.00000
     34     -14.1604      1.00000
     35     -14.1412      1.00000
     36     -13.2015      1.00000
     37     -13.1143      1.00000
     38     -13.0601      1.00000
     39     -12.9802      1.00000
     40     -12.7429      1.00000
     41     -12.6875      1.00000
     42     -12.3713      1.00000
     43     -12.2946      1.00000
     44     -11.6439      1.00000
     45     -11.5812      1.00000
     46     -11.5362      1.00000
     47     -10.9405      1.00000
     48     -10.9058      1.00000
     49     -10.6916      1.00000
     50     -10.6149      1.00000
     51     -10.5810      1.00000
     52     -10.5331      1.00000
     53     -10.4850      1.00000
     54     -10.4670      1.00000
     55     -10.3711      1.00000
     56     -10.1082      1.00000
     57      -9.9006      1.00000
     58      -9.6258      1.00000
     59      -9.5682      1.00000
     60      -9.4701      1.00000
     61      -9.4267      1.00000
     62      -9.4175      1.00000
     63      -9.3956      1.00000
     64      -9.3710      1.00000
     65      -9.2734      1.00000
     66      -9.1748      1.00000
     67      -9.0944      1.00000
     68      -9.0664      1.00000
     69      -8.8882      1.00000
     70      -8.8312      1.00000
     71      -8.8057      1.00000
     72      -8.5929      1.00000
     73      -8.5269      1.00000
     74      -8.1965      1.00000
     75      -8.1357      1.00000
     76      -8.0832      1.00000
     77      -7.9226      1.00000
     78      -7.8460      1.00000
     79      -7.8248      1.00000
     80      -7.7789      1.00000
     81      -7.6500      1.00000
     82      -7.6048      1.00000
     83      -7.5270      1.00000
     84      -7.3633      1.00000
     85      -7.1640      1.00000
     86      -6.9760      1.00000
     87      -6.8217      1.00000
     88      -6.6234      1.00000
     89      -6.5325      1.00000
     90      -6.4931      1.00000
     91      -6.3265      1.00000
     92      -6.2715      1.00000
     93      -6.1227      1.00000
     94      -5.9927      1.00000
     95      -5.5637      1.00000
     96      -5.3994      1.00000
     97      -5.3194      1.00000
     98      -5.1774      1.00000
     99      -5.0856      1.00000
    100      -4.7665      1.00000
    101      -4.6460      1.00000
    102      -4.4215      1.00000
    103      -4.2060      1.00000
    104      -3.8489      1.00000
    105      -3.6613      1.00000
    106      -3.4306      1.00000
    107      -2.2542      0.00000
    108      -1.4881      0.00000
    109      -1.3091      0.00000
    110      -1.2140      0.00000
    111      -1.0703      0.00000
    112      -1.0039      0.00000
    113      -0.9070      0.00000
    114      -0.8100      0.00000
    115      -0.2483      0.00000
    116       0.2259      0.00000
    117       0.2297      0.00000
    118       0.3651      0.00000
    119       0.6685      0.00000
    120       0.8586      0.00000
    121       0.9562      0.00000
    122       1.0263      0.00000
    123       1.1517      0.00000
    124       1.4870      0.00000
    125       1.5200      0.00000
    126       1.6809      0.00000
    127       1.7592      0.00000
    128       1.8331      0.00000
    129       1.9266      0.00000
    130       1.9615      0.00000
    131       2.1688      0.00000
    132       2.2225      0.00000
    133       2.3811      0.00000
    134       2.4508      0.00000
    135       2.5334      0.00000
    136       2.5909      0.00000
    137       2.6409      0.00000
    138       2.6725      0.00000
    139       2.7336      0.00000
    140       2.8275      0.00000
    141       3.0096      0.00000
    142       3.0489      0.00000
    143       3.1609      0.00000
    144       3.2238      0.00000
    145       3.2336      0.00000
    146       3.2811      0.00000
    147       3.3136      0.00000
    148       3.4178      0.00000
    149       3.4818      0.00000
    150       3.6638      0.00000
    151       3.6937      0.00000
    152       3.6990      0.00000
    153       3.8006      0.00000
    154       3.8714      0.00000
    155       3.8933      0.00000
    156       3.9498      0.00000
    157       3.9942      0.00000
    158       4.0248      0.00000
    159       4.0522      0.00000
    160       4.0747      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3926      1.00000
      2     -21.8332      1.00000
      3     -21.6461      1.00000
      4     -21.6105      1.00000
      5     -21.2830      1.00000
      6     -21.2352      1.00000
      7     -21.0572      1.00000
      8     -20.1736      1.00000
      9     -20.1265      1.00000
     10     -19.6261      1.00000
     11     -19.6025      1.00000
     12     -19.4116      1.00000
     13     -19.0977      1.00000
     14     -19.0613      1.00000
     15     -19.0610      1.00000
     16     -19.0389      1.00000
     17     -18.3764      1.00000
     18     -18.3587      1.00000
     19     -18.0003      1.00000
     20     -17.0588      1.00000
     21     -17.0037      1.00000
     22     -16.9639      1.00000
     23     -16.9550      1.00000
     24     -16.5166      1.00000
     25     -16.5023      1.00000
     26     -15.5870      1.00000
     27     -15.5859      1.00000
     28     -15.2295      1.00000
     29     -15.2049      1.00000
     30     -15.1884      1.00000
     31     -15.1462      1.00000
     32     -15.1234      1.00000
     33     -14.6900      1.00000
     34     -14.6888      1.00000
     35     -13.7116      1.00000
     36     -13.7090      1.00000
     37     -13.2673      1.00000
     38     -12.6686      1.00000
     39     -12.6279      1.00000
     40     -12.4786      1.00000
     41     -12.4742      1.00000
     42     -12.0467      1.00000
     43     -12.0451      1.00000
     44     -11.6974      1.00000
     45     -11.6580      1.00000
     46     -11.2817      1.00000
     47     -11.2619      1.00000
     48     -11.0285      1.00000
     49     -11.0186      1.00000
     50     -10.8887      1.00000
     51     -10.8594      1.00000
     52     -10.6423      1.00000
     53     -10.2310      1.00000
     54     -10.2146      1.00000
     55     -10.1360      1.00000
     56     -10.0016      1.00000
     57      -9.6773      1.00000
     58      -9.6672      1.00000
     59      -9.6538      1.00000
     60      -9.5907      1.00000
     61      -9.5658      1.00000
     62      -9.5589      1.00000
     63      -9.3238      1.00000
     64      -9.3136      1.00000
     65      -9.2911      1.00000
     66      -9.2209      1.00000
     67      -9.1354      1.00000
     68      -9.1349      1.00000
     69      -9.1242      1.00000
     70      -8.9339      1.00000
     71      -8.8460      1.00000
     72      -8.5589      1.00000
     73      -8.5420      1.00000
     74      -8.2780      1.00000
     75      -8.1732      1.00000
     76      -7.8404      1.00000
     77      -7.8231      1.00000
     78      -7.7965      1.00000
     79      -7.7744      1.00000
     80      -7.7635      1.00000
     81      -7.4470      1.00000
     82      -7.3917      1.00000
     83      -7.3871      1.00000
     84      -7.2928      1.00000
     85      -7.1852      1.00000
     86      -6.9654      1.00000
     87      -6.9400      1.00000
     88      -6.7443      1.00000
     89      -6.7129      1.00000
     90      -6.6169      1.00000
     91      -6.5830      1.00000
     92      -6.2353      1.00000
     93      -6.0756      1.00000
     94      -6.0732      1.00000
     95      -5.9267      1.00000
     96      -5.6900      1.00000
     97      -5.0001      1.00000
     98      -4.8695      1.00000
     99      -4.6684      1.00000
    100      -4.6193      1.00000
    101      -4.4938      1.00000
    102      -4.3744      1.00000
    103      -4.1517      1.00000
    104      -4.0841      1.00000
    105      -3.7642      1.00000
    106      -3.4710      1.00000
    107      -1.9035      0.00000
    108      -1.7156      0.00000
    109      -1.4949      0.00000
    110      -1.3933      0.00000
    111      -1.3645      0.00000
    112      -1.3066      0.00000
    113      -0.7470      0.00000
    114      -0.4663      0.00000
    115      -0.2108      0.00000
    116       0.0696      0.00000
    117       0.5646      0.00000
    118       0.7197      0.00000
    119       0.7934      0.00000
    120       0.9955      0.00000
    121       1.0600      0.00000
    122       1.1425      0.00000
    123       1.2411      0.00000
    124       1.3001      0.00000
    125       1.4004      0.00000
    126       1.5548      0.00000
    127       1.7542      0.00000
    128       1.8343      0.00000
    129       1.8954      0.00000
    130       1.9164      0.00000
    131       2.0323      0.00000
    132       2.1861      0.00000
    133       2.1942      0.00000
    134       2.2421      0.00000
    135       2.4585      0.00000
    136       2.5878      0.00000
    137       2.6364      0.00000
    138       2.7037      0.00000
    139       2.7615      0.00000
    140       2.8105      0.00000
    141       2.8242      0.00000
    142       2.8626      0.00000
    143       2.9334      0.00000
    144       3.0279      0.00000
    145       3.2690      0.00000
    146       3.3343      0.00000
    147       3.3968      0.00000
    148       3.4053      0.00000
    149       3.4114      0.00000
    150       3.5546      0.00000
    151       3.6390      0.00000
    152       3.6452      0.00000
    153       3.7097      0.00000
    154       3.8686      0.00000
    155       3.8869      0.00000
    156       3.9279      0.00000
    157       4.0648      0.00000
    158       4.1737      0.00000
    159       4.2210      0.00000
    160       4.3463      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2124      1.00000
      2     -22.1219      1.00000
      3     -21.9606      1.00000
      4     -21.4100      1.00000
      5     -21.0488      1.00000
      6     -21.0198      1.00000
      7     -20.5001      1.00000
      8     -20.4691      1.00000
      9     -20.2858      1.00000
     10     -20.2825      1.00000
     11     -19.9648      1.00000
     12     -19.9023      1.00000
     13     -18.8961      1.00000
     14     -18.8289      1.00000
     15     -18.3295      1.00000
     16     -18.3138      1.00000
     17     -18.1566      1.00000
     18     -18.1475      1.00000
     19     -17.8091      1.00000
     20     -17.7943      1.00000
     21     -17.2863      1.00000
     22     -17.2636      1.00000
     23     -17.1615      1.00000
     24     -17.0998      1.00000
     25     -16.1972      1.00000
     26     -15.8990      1.00000
     27     -15.8540      1.00000
     28     -15.8445      1.00000
     29     -15.1636      1.00000
     30     -14.5495      1.00000
     31     -14.5308      1.00000
     32     -14.2056      1.00000
     33     -14.0110      1.00000
     34     -13.9909      1.00000
     35     -13.8693      1.00000
     36     -13.8489      1.00000
     37     -13.5756      1.00000
     38     -13.5537      1.00000
     39     -13.3913      1.00000
     40     -12.6967      1.00000
     41     -12.1407      1.00000
     42     -12.1175      1.00000
     43     -12.0346      1.00000
     44     -11.9882      1.00000
     45     -11.7038      1.00000
     46     -11.6990      1.00000
     47     -11.1443      1.00000
     48     -11.1309      1.00000
     49     -10.7631      1.00000
     50     -10.7071      1.00000
     51     -10.5397      1.00000
     52     -10.2161      1.00000
     53     -10.2098      1.00000
     54     -10.1721      1.00000
     55     -10.0499      1.00000
     56     -10.0233      1.00000
     57     -10.0022      1.00000
     58      -9.8251      1.00000
     59      -9.8106      1.00000
     60      -9.7977      1.00000
     61      -9.7933      1.00000
     62      -9.4370      1.00000
     63      -9.4249      1.00000
     64      -9.1161      1.00000
     65      -9.0851      1.00000
     66      -9.0339      1.00000
     67      -8.9156      1.00000
     68      -8.8587      1.00000
     69      -8.7110      1.00000
     70      -8.6991      1.00000
     71      -8.5233      1.00000
     72      -8.5114      1.00000
     73      -8.4795      1.00000
     74      -8.4273      1.00000
     75      -8.4257      1.00000
     76      -8.3085      1.00000
     77      -8.0875      1.00000
     78      -8.0850      1.00000
     79      -8.0269      1.00000
     80      -7.8445      1.00000
     81      -7.6208      1.00000
     82      -7.4586      1.00000
     83      -7.4382      1.00000
     84      -7.3175      1.00000
     85      -7.0905      1.00000
     86      -7.0061      1.00000
     87      -6.9954      1.00000
     88      -6.5370      1.00000
     89      -6.4619      1.00000
     90      -6.4356      1.00000
     91      -6.4015      1.00000
     92      -5.9149      1.00000
     93      -5.8801      1.00000
     94      -5.7888      1.00000
     95      -5.7842      1.00000
     96      -5.3686      1.00000
     97      -5.3535      1.00000
     98      -5.2298      1.00000
     99      -5.2278      1.00000
    100      -5.1423      1.00000
    101      -4.7643      1.00000
    102      -4.4496      1.00000
    103      -4.2030      1.00000
    104      -3.8225      1.00000
    105      -3.5829      1.00000
    106      -3.2784      1.00000
    107      -2.4951      0.00000
    108      -1.4284      0.00000
    109      -1.3672      0.00000
    110      -1.1461      0.00000
    111      -1.1295      0.00000
    112      -0.6612      0.00000
    113      -0.5928      0.00000
    114      -0.4282      0.00000
    115      -0.3391      0.00000
    116      -0.1172      0.00000
    117      -0.1094      0.00000
    118       0.1170      0.00000
    119       0.6334      0.00000
    120       0.6597      0.00000
    121       0.8347      0.00000
    122       0.9676      0.00000
    123       0.9867      0.00000
    124       1.4743      0.00000
    125       1.6556      0.00000
    126       1.7162      0.00000
    127       1.8213      0.00000
    128       2.0765      0.00000
    129       2.1424      0.00000
    130       2.1725      0.00000
    131       2.2356      0.00000
    132       2.2694      0.00000
    133       2.3429      0.00000
    134       2.4757      0.00000
    135       2.5126      0.00000
    136       2.6350      0.00000
    137       2.8211      0.00000
    138       2.8260      0.00000
    139       2.9242      0.00000
    140       2.9800      0.00000
    141       3.0035      0.00000
    142       3.1095      0.00000
    143       3.1812      0.00000
    144       3.2114      0.00000
    145       3.2178      0.00000
    146       3.2587      0.00000
    147       3.2869      0.00000
    148       3.3354      0.00000
    149       3.3748      0.00000
    150       3.5054      0.00000
    151       3.5323      0.00000
    152       3.6237      0.00000
    153       3.6255      0.00000
    154       3.6958      0.00000
    155       3.7147      0.00000
    156       3.8661      0.00000
    157       3.9214      0.00000
    158       3.9964      0.00000
    159       4.0288      0.00000
    160       4.1351      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2860      1.00000
      2     -22.0813      1.00000
      3     -21.7253      1.00000
      4     -21.6852      1.00000
      5     -20.9865      1.00000
      6     -20.9379      1.00000
      7     -20.6146      1.00000
      8     -20.5783      1.00000
      9     -20.5677      1.00000
     10     -20.0302      1.00000
     11     -19.5224      1.00000
     12     -19.4949      1.00000
     13     -19.3210      1.00000
     14     -19.3097      1.00000
     15     -18.4460      1.00000
     16     -18.4019      1.00000
     17     -17.9388      1.00000
     18     -17.9199      1.00000
     19     -17.7572      1.00000
     20     -17.7111      1.00000
     21     -17.4556      1.00000
     22     -17.4392      1.00000
     23     -17.2953      1.00000
     24     -16.5102      1.00000
     25     -16.4968      1.00000
     26     -16.0336      1.00000
     27     -15.3984      1.00000
     28     -15.3982      1.00000
     29     -15.0877      1.00000
     30     -15.0833      1.00000
     31     -14.7873      1.00000
     32     -14.7778      1.00000
     33     -14.3398      1.00000
     34     -14.2984      1.00000
     35     -13.4868      1.00000
     36     -13.4451      1.00000
     37     -13.1538      1.00000
     38     -13.1523      1.00000
     39     -13.0237      1.00000
     40     -13.0168      1.00000
     41     -12.5763      1.00000
     42     -12.5754      1.00000
     43     -12.2323      1.00000
     44     -11.5515      1.00000
     45     -11.5099      1.00000
     46     -11.2800      1.00000
     47     -11.2494      1.00000
     48     -11.1832      1.00000
     49     -10.7138      1.00000
     50     -10.6877      1.00000
     51     -10.5544      1.00000
     52     -10.3322      1.00000
     53     -10.3260      1.00000
     54     -10.1783      1.00000
     55     -10.1329      1.00000
     56     -10.1191      1.00000
     57      -9.8245      1.00000
     58      -9.7855      1.00000
     59      -9.7769      1.00000
     60      -9.7225      1.00000
     61      -9.7215      1.00000
     62      -9.6547      1.00000
     63      -9.3825      1.00000
     64      -9.3804      1.00000
     65      -9.2972      1.00000
     66      -9.0325      1.00000
     67      -8.9456      1.00000
     68      -8.9398      1.00000
     69      -8.7782      1.00000
     70      -8.5903      1.00000
     71      -8.5567      1.00000
     72      -8.4125      1.00000
     73      -8.3483      1.00000
     74      -8.3030      1.00000
     75      -8.2925      1.00000
     76      -8.2046      1.00000
     77      -8.1918      1.00000
     78      -8.1719      1.00000
     79      -7.9210      1.00000
     80      -7.7302      1.00000
     81      -7.4780      1.00000
     82      -7.4549      1.00000
     83      -7.3521      1.00000
     84      -7.2843      1.00000
     85      -7.1872      1.00000
     86      -7.0885      1.00000
     87      -6.9877      1.00000
     88      -6.9286      1.00000
     89      -6.6642      1.00000
     90      -6.5242      1.00000
     91      -6.1686      1.00000
     92      -5.9799      1.00000
     93      -5.9355      1.00000
     94      -5.7004      1.00000
     95      -5.6759      1.00000
     96      -5.3734      1.00000
     97      -5.2869      1.00000
     98      -5.2540      1.00000
     99      -5.2075      1.00000
    100      -5.1997      1.00000
    101      -4.5206      1.00000
    102      -4.3562      1.00000
    103      -4.0446      1.00000
    104      -3.9258      1.00000
    105      -3.8047      1.00000
    106      -3.4532      1.00000
    107      -1.9756      0.00000
    108      -1.7997      0.00000
    109      -1.2825      0.00000
    110      -1.1972      0.00000
    111      -1.0074      0.00000
    112      -0.7704      0.00000
    113      -0.7090      0.00000
    114      -0.6784      0.00000
    115      -0.6289      0.00000
    116      -0.1054      0.00000
    117       0.1742      0.00000
    118       0.2154      0.00000
    119       0.7471      0.00000
    120       0.9690      0.00000
    121       1.0790      0.00000
    122       1.2606      0.00000
    123       1.2692      0.00000
    124       1.3207      0.00000
    125       1.5821      0.00000
    126       1.6213      0.00000
    127       1.6830      0.00000
    128       1.7819      0.00000
    129       1.9065      0.00000
    130       1.9152      0.00000
    131       2.0820      0.00000
    132       2.2790      0.00000
    133       2.3130      0.00000
    134       2.3882      0.00000
    135       2.5044      0.00000
    136       2.6071      0.00000
    137       2.7578      0.00000
    138       2.8157      0.00000
    139       2.8180      0.00000
    140       2.8497      0.00000
    141       3.0252      0.00000
    142       3.0754      0.00000
    143       3.1126      0.00000
    144       3.1863      0.00000
    145       3.3392      0.00000
    146       3.3838      0.00000
    147       3.4615      0.00000
    148       3.4970      0.00000
    149       3.5614      0.00000
    150       3.5790      0.00000
    151       3.6049      0.00000
    152       3.7043      0.00000
    153       3.7176      0.00000
    154       3.7567      0.00000
    155       3.8098      0.00000
    156       3.8498      0.00000
    157       3.9750      0.00000
    158       4.0522      0.00000
    159       4.1397      0.00000
    160       4.1824      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0430   -7.3907    4.2009   -1.2781   -0.2394   17.8308    0.1478   -0.5317    0.6338   -0.4654
x    -3.0963   -0.0376   -0.0635    0.0621   -0.0093   -2.9948   -0.0114   -0.0071    0.0050    0.0016
x    -0.1050    0.0015   -0.0013    0.0005    0.0002   -0.0227   -0.0001   -0.0001    0.0000    0.0001
x    -0.0036    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0430    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0033    0.0000    0.0003    0.0005    0.0005   -0.0774   -0.0079    0.0374    0.0378
y    -0.0469   -3.2387   -0.5394   -0.1654   -1.1749   -0.6052
z   204.0430    1.1201   -0.2791    0.0402    0.0088    0.0522    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0776    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1458
z    -0.2839    0.1855   -0.0394    0.0469   -0.0873    0.0014
 total charge-density along one line
x   212.0000  -10.2194    6.1486   -2.0881   -0.4753   19.7611   -0.9967    0.4768   -0.0467   -0.1254
x    -2.6603   -0.0278   -0.0612    0.0849   -0.0536   -2.2344   -0.0253   -0.0026    0.0053    0.0022
x    -0.0968    0.0058   -0.0051    0.0028   -0.0008   -0.0336   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0058    0.0000   -0.0001    0.0000    0.0000    0.0014   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2194    6.1486   -2.0881   -0.4753   19.7611   -0.9967    0.4768   -0.0467   -0.1254
y    -2.6603   -0.0278   -0.0612    0.0849   -0.0536   -2.2344   -0.0253   -0.0026    0.0053    0.0022
y    -0.0968    0.0058   -0.0051    0.0028   -0.0008   -0.0336   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0058    0.0000   -0.0001    0.0000    0.0000    0.0014   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4910  189.2855 -170.3557  153.6318 -139.4135  125.4081 -110.0935   93.9441  -78.3272
z    64.1183  -51.4705   40.4107  -31.2079   24.1110  -18.9273   15.0153  -11.7063    8.7061   -6.1138
z     4.1242   -2.7528    1.8168   -1.1080    0.5379   -0.1251   -0.1135    0.2301   -0.3109    0.4006
z    -0.4768    0.4935   -0.4405    0.3554   -0.2863    0.2512   -0.2334    0.2088   -0.1711    0.1318
z    -0.1037    0.0879   -0.0768    0.0637   -0.0491    0.0374   -0.0308    0.0276   -0.0243    0.0198
z    -0.0152    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.104   0.000   0.030   0.007   0.000   0.220
  0.000   0.131   0.000 -11.157   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.836  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.220   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.028   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.027   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.022   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.017   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.104   0.000   0.030   0.007   0.000   0.220
  0.000   0.131   0.000 -11.157   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.836  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.220   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.087   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.028   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.027   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.022   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.017   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.050   0.000   0.008   0.057   0.000  -0.069   0.000  -0.025   0.077  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.812   0.000   0.212   0.000   0.000   0.271   0.000  -0.313   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.050   0.000   1.796   0.000  -0.024  -0.053   0.000   0.304   0.000   0.029  -0.191  -0.031   0.000   0.096   0.000   0.000
  0.000   0.212   0.000   1.567   0.000   0.000  -0.313   0.000   0.632   0.000   0.000   0.000  -0.118   0.000   0.172  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.057   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.132   0.000  -0.034  -0.282   0.082   0.000  -0.095   0.000   0.000
  0.000   0.271   0.000  -0.313   0.000   0.000   0.158   0.000  -0.193   0.000   0.000   0.000   0.011   0.000  -0.052  -0.005
 -0.069   0.000   0.304   0.000   0.037  -0.132   0.000   0.418   0.000   0.077   0.588  -0.240   0.000   0.058   0.000   0.000
  0.000  -0.313   0.000   0.632   0.000   0.000  -0.193   0.000   0.381   0.000   0.000   0.000  -0.051   0.000   0.070   0.006
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.165  -0.048   0.000   0.054   0.000   0.000
  0.077   0.000  -0.191   0.000  -0.051  -0.282   0.000   0.588   0.000   0.165   1.371  -0.421   0.000   0.284   0.000   0.000
 -0.017   0.000  -0.031   0.000   0.010   0.082   0.000  -0.240   0.000  -0.048  -0.421   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.096   0.000   0.026  -0.095   0.000   0.058   0.000   0.054   0.284  -0.034   0.000   0.265   0.000   0.000
  0.000  -0.116   0.000   0.172   0.000   0.000  -0.052   0.000   0.070   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.045   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.036   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.646   0.263   8.031   8.939
  2        0.522   0.028   0.000   0.549
  3        0.522   0.028   0.000   0.549
  4        0.864   1.783   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.783   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.781   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.781   0.000   2.645
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.646
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.647
 40        0.863   1.786   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.784   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.783   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.872  89.427   8.031 142.330
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time   90.48: CPU time   45.56
    FORLOC:  VPU time    1.09: CPU time    1.09
    FORNL :  VPU time  362.65: CPU time  181.68
    STRESS:  VPU time 1089.22: CPU time  547.30
    FORCOR:  VPU time    7.42: CPU time    7.42
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.16: CPU time    0.16
 d Force =-0.5060728E-01[-0.129E+00, 0.273E-01]  d Energy =-0.5862494E-01 0.802E-02
 d Force = 0.2039553E+01[ 0.168E+01, 0.240E+01]  d Ewald  =-0.3929222E+02 0.413E+02


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.663253 eV

  energy  without entropy=     -471.663253  energy(sigma->0) =     -471.663253
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40855.76  40758.63 -47527.42    -84.12      0.00      0.00
  Hartree  40258.66  40232.10 -39513.21    -23.00      0.00      0.00
  E(xc)     -779.35   -779.80   -807.36     -0.39      0.00      0.00
  Local   -83393.42 -83288.82  84355.53     90.58      0.00      0.00
  n-local   -216.82   -215.55   -203.33      0.80      0.00      0.00
  augment     20.02     22.09     17.80      1.80      0.00      0.00
  Kinetic   3160.41   3178.00   3584.07      6.61      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        3.06     -3.28      0.01     -5.49      0.00      0.00
  in kB        1.86     -1.99      0.01     -3.34      0.00      0.00
  external pressure =       -0.04 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.337261817  0.016772855  0.000000000     0.080991890  0.046614058  0.000000000
    -6.154111833 10.692764664  0.000000000    -0.000127045  0.093448063  0.000000000
     0.000000000  0.000000000 19.981886659     0.000000000  0.000000000  0.050045324

  length of vectors
    12.337273219 12.337273143 19.981886659     0.093448149  0.093448150  0.050045324


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.157E-05 -.510E-04 -.951E+03   0.456E-05 -.279E-04 0.960E+03   0.338E-20 0.335E-23 -.869E+01   -.881E-07 0.483E-07 0.149E-01
   0.323E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.155E+01 -.895E+00 -.254E+01   -.422E-03 0.243E-03 0.264E-02
   -.323E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.155E+01 0.895E+00 -.254E+01   0.422E-03 -.243E-03 0.264E-02
   -.342E+00 0.198E+00 0.163E+02   0.540E-01 -.311E-01 -.162E+02   -.149E+00 0.858E-01 -.250E-01   0.158E-02 -.916E-03 0.267E-03
   0.769E+01 0.610E+01 0.193E+02   -.798E+01 -.597E+01 -.193E+02   -.148E+00 0.976E-01 -.268E-01   0.176E-02 -.581E-03 0.306E-03
   0.127E+02 0.413E+01 0.161E+02   -.130E+02 -.396E+01 -.161E+02   -.126E+00 0.895E-01 -.472E-01   0.282E-02 -.354E-02 -.583E-03
   0.641E+01 -.183E+01 0.126E+02   -.672E+01 0.201E+01 -.126E+02   -.136E+00 0.833E-01 -.191E-01   0.944E-03 -.140E-02 -.109E-02
   -.144E+01 -.347E+01 0.126E+02   0.115E+01 0.363E+01 -.126E+02   -.146E+00 0.874E-01 -.134E-01   0.188E-03 -.249E-03 -.473E-03
   0.229E+01 0.298E+01 0.126E+02   -.257E+01 -.281E+01 -.126E+02   -.149E+00 0.829E-01 -.134E-01   0.305E-03 -.431E-04 -.476E-03
   0.390E+01 0.176E+02 0.240E+02   -.417E+01 -.176E+02 -.239E+02   -.142E+00 0.206E+00 -.474E-01   0.473E-03 -.166E-02 -.200E-03
   0.245E+02 0.205E+02 0.422E+02   -.249E+02 -.206E+02 -.421E+02   -.875E-01 0.346E+00 -.618E-01   0.145E-02 -.515E-02 -.101E-02
   0.284E+02 -.428E+01 0.258E+02   -.290E+02 0.456E+01 -.258E+02   0.122E+00 -.227E-01 -.329E-01   0.455E-03 -.337E-02 -.219E-02
   0.108E+02 -.623E+01 0.137E+02   -.111E+02 0.642E+01 -.137E+02   -.108E+00 0.621E-01 -.129E-01   -.558E-03 0.317E-03 -.136E-02
   0.479E+01 -.464E+01 0.126E+02   -.510E+01 0.481E+01 -.126E+02   -.140E+00 0.765E-01 -.191E-01   0.168E-02 -.123E-03 -.110E-02
   -.421E+01 0.127E+02 0.161E+02   0.392E+01 -.126E+02 -.161E+02   -.153E+00 0.153E+00 -.526E-01   0.258E-03 -.349E-02 -.124E-02
   -.103E+02 0.354E+02 0.477E+02   0.100E+02 -.359E+02 -.480E+02   -.172E+00 0.702E+00 0.288E+00   -.152E-02 -.217E-02 -.275E-02
   0.250E+02 -.144E+02 0.943E+02   -.259E+02 0.150E+02 -.964E+02   0.502E+00 -.290E+00 0.206E+01   0.315E-02 -.182E-02 -.448E-02
   0.179E+02 -.225E+02 0.258E+02   -.184E+02 0.228E+02 -.258E+02   0.806E-01 -.942E-01 -.329E-01   0.314E-02 0.128E-02 -.220E-02
   0.279E+01 -.131E+02 0.161E+02   -.309E+01 0.133E+02 -.161E+02   -.140E+00 0.640E-01 -.472E-01   0.447E-02 -.676E-03 -.588E-03
   -.253E+01 0.104E+01 0.116E+02   0.224E+01 -.881E+00 -.116E+02   -.149E+00 0.935E-01 -.445E-01   0.330E-02 -.250E-02 -.101E-02
   -.177E+02 0.102E+02 0.218E+02   0.174E+02 -.101E+02 -.218E+02   -.196E+00 0.113E+00 -.405E-01   0.320E-02 -.185E-02 -.225E-02
   -.358E+02 -.881E+01 0.477E+02   0.361E+02 0.925E+01 -.480E+02   -.694E+00 -.202E+00 0.288E+00   0.112E-02 0.240E-02 -.275E-02
   -.550E+01 -.315E+02 0.422E+02   0.538E+01 0.319E+02 -.421E+02   -.344E+00 -.973E-01 -.618E-01   0.519E-02 0.132E-02 -.101E-02
   -.144E+01 -.971E+01 0.193E+02   0.118E+01 0.990E+01 -.193E+02   -.159E+00 0.798E-01 -.268E-01   0.138E-02 -.124E-02 0.306E-03
   0.298E+01 -.172E+01 0.134E+02   -.327E+01 0.189E+01 -.134E+02   -.147E+00 0.849E-01 -.169E-01   0.359E-02 -.207E-02 -.182E-03
   -.216E+01 0.168E+01 0.116E+02   0.188E+01 -.150E+01 -.116E+02   -.156E+00 0.824E-01 -.445E-01   0.382E-02 -.161E-02 -.100E-02
   -.131E+02 -.271E+01 0.161E+02   0.129E+02 0.292E+01 -.161E+02   -.209E+00 0.565E-01 -.526E-01   0.315E-02 0.152E-02 -.123E-02
   -.133E+02 -.122E+02 0.240E+02   0.131E+02 0.124E+02 -.239E+02   -.249E+00 0.199E-01 -.474E-01   0.168E-02 0.416E-03 -.198E-03
   0.144E+01 0.971E+01 0.193E+02   -.118E+01 -.990E+01 -.193E+02   0.159E+00 -.798E-01 -.268E-01   -.138E-02 0.124E-02 0.306E-03
   0.133E+02 0.122E+02 0.240E+02   -.131E+02 -.124E+02 -.239E+02   0.249E+00 -.199E-01 -.474E-01   -.168E-02 -.416E-03 -.198E-03
   0.131E+02 0.271E+01 0.161E+02   -.129E+02 -.292E+01 -.161E+02   0.209E+00 -.565E-01 -.526E-01   -.315E-02 -.152E-02 -.123E-02
   0.216E+01 -.168E+01 0.116E+02   -.188E+01 0.150E+01 -.116E+02   0.156E+00 -.824E-01 -.445E-01   -.382E-02 0.161E-02 -.100E-02
   -.298E+01 0.172E+01 0.134E+02   0.327E+01 -.189E+01 -.134E+02   0.147E+00 -.849E-01 -.169E-01   -.359E-02 0.207E-02 -.182E-03
   -.279E+01 0.131E+02 0.161E+02   0.309E+01 -.133E+02 -.161E+02   0.140E+00 -.640E-01 -.472E-01   -.447E-02 0.676E-03 -.588E-03
   0.550E+01 0.315E+02 0.422E+02   -.538E+01 -.319E+02 -.421E+02   0.344E+00 0.973E-01 -.618E-01   -.519E-02 -.132E-02 -.101E-02
   0.358E+02 0.881E+01 0.477E+02   -.361E+02 -.925E+01 -.480E+02   0.694E+00 0.202E+00 0.288E+00   -.112E-02 -.240E-02 -.275E-02
   0.177E+02 -.102E+02 0.218E+02   -.174E+02 0.101E+02 -.218E+02   0.196E+00 -.113E+00 -.405E-01   -.320E-02 0.185E-02 -.225E-02
   0.253E+01 -.104E+01 0.116E+02   -.224E+01 0.881E+00 -.116E+02   0.149E+00 -.935E-01 -.445E-01   -.330E-02 0.250E-02 -.101E-02
   -.479E+01 0.464E+01 0.126E+02   0.510E+01 -.481E+01 -.126E+02   0.140E+00 -.765E-01 -.191E-01   -.168E-02 0.124E-03 -.110E-02
   -.179E+02 0.225E+02 0.258E+02   0.184E+02 -.228E+02 -.258E+02   -.806E-01 0.942E-01 -.329E-01   -.314E-02 -.128E-02 -.220E-02
   -.250E+02 0.144E+02 0.943E+02   0.259E+02 -.150E+02 -.964E+02   -.502E+00 0.290E+00 0.206E+01   -.315E-02 0.182E-02 -.448E-02
   0.103E+02 -.354E+02 0.477E+02   -.100E+02 0.359E+02 -.480E+02   0.172E+00 -.702E+00 0.288E+00   0.152E-02 0.217E-02 -.275E-02
   0.421E+01 -.127E+02 0.161E+02   -.392E+01 0.126E+02 -.161E+02   0.153E+00 -.153E+00 -.526E-01   -.258E-03 0.349E-02 -.124E-02
   -.229E+01 -.298E+01 0.126E+02   0.257E+01 0.281E+01 -.126E+02   0.149E+00 -.829E-01 -.134E-01   -.305E-03 0.434E-04 -.476E-03
   -.108E+02 0.623E+01 0.137E+02   0.111E+02 -.642E+01 -.137E+02   0.108E+00 -.621E-01 -.129E-01   0.557E-03 -.317E-03 -.136E-02
   -.284E+02 0.428E+01 0.258E+02   0.290E+02 -.456E+01 -.258E+02   -.122E+00 0.227E-01 -.329E-01   -.455E-03 0.337E-02 -.219E-02
   -.245E+02 -.205E+02 0.422E+02   0.249E+02 0.206E+02 -.421E+02   0.875E-01 -.346E+00 -.618E-01   -.145E-02 0.515E-02 -.101E-02
   -.390E+01 -.176E+02 0.240E+02   0.417E+01 0.176E+02 -.239E+02   0.142E+00 -.206E+00 -.474E-01   -.472E-03 0.166E-02 -.200E-03
   0.342E+00 -.198E+00 0.163E+02   -.539E-01 0.311E-01 -.162E+02   0.149E+00 -.858E-01 -.250E-01   -.158E-02 0.916E-03 0.267E-03
   0.144E+01 0.347E+01 0.126E+02   -.115E+01 -.363E+01 -.126E+02   0.146E+00 -.874E-01 -.134E-01   -.188E-03 0.249E-03 -.473E-03
   -.641E+01 0.183E+01 0.126E+02   0.672E+01 -.201E+01 -.126E+02   0.136E+00 -.833E-01 -.191E-01   -.945E-03 0.140E-02 -.109E-02
   -.127E+02 -.413E+01 0.161E+02   0.130E+02 0.396E+01 -.161E+02   0.126E+00 -.895E-01 -.472E-01   -.282E-02 0.354E-02 -.583E-03
   -.769E+01 -.610E+01 0.193E+02   0.798E+01 0.597E+01 -.193E+02   0.148E+00 -.976E-01 -.268E-01   -.176E-02 0.581E-03 0.306E-03
 -----------------------------------------------------------------------------------------------
   -.139E-02 0.213E-04 0.101E+02   -.107E-13 0.595E-13 0.188E-12   -.555E-15 -.278E-16 -.101E+02   -.209E-06 0.149E-06 -.368E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85882      6.06650     12.26173         0.000000      0.000000     -0.042390
      1.08297      6.51444     13.51973        -0.018459      0.010657      0.046122
      2.63466      5.61857     13.51973         0.018459     -0.010657      0.046122
      0.00386     -0.00223      9.90857        -0.435513      0.251443     -0.001928
     -1.22753      2.13527      9.90723        -0.432426      0.225508      0.001481
     -2.45922      4.27467      9.92723        -0.427887      0.249051      0.003046
     -3.68913      6.41350      9.93505        -0.443680      0.263062     -0.003329
     -4.91939      8.55206      9.92553        -0.432418      0.249634     -0.002566
      2.47126      0.00105      9.92553        -0.432399      0.249668     -0.002566
      1.23931      2.13737      9.91683        -0.413663      0.294133     -0.002152
      0.00722      4.27224      9.92944        -0.489324      0.248384      0.000648
     -1.22566      6.41744      9.95146        -0.422109      0.250794     -0.005592
     -2.45249      8.55563      9.93674        -0.433340      0.250189     -0.001709
      4.93844      0.00490      9.93505        -0.449659      0.252707     -0.003329
      3.70834      2.14131      9.93827        -0.444409      0.244217     -0.000626
      2.47737      4.27321      9.96613        -0.421045      0.249828     -0.005955
      1.24003      6.42376      9.97218        -0.405964      0.234383     -0.002404
      0.01265      8.56227      9.95146        -0.428249      0.240160     -0.005592
      7.40568      0.00918      9.92723        -0.429628      0.246035      0.003046
      6.17502      2.14663      9.93356        -0.439749      0.245417      0.000976
      4.94492      4.28474      9.94620        -0.428319      0.247290      0.004877
      3.72113      6.42746      9.96613        -0.426880      0.239722     -0.005955
      2.48690      8.56716      9.92944        -0.459769      0.299575      0.000648
      9.87430      0.01221      9.90723        -0.411509      0.261738      0.001481
      8.64259      2.14989      9.91835        -0.432179      0.249518      0.004374
      7.41162      4.28850      9.93356        -0.432412      0.258125      0.000976
      6.18289      6.42736      9.93827        -0.433703      0.262761     -0.000626
      4.95179      8.56758      9.91683        -0.461559      0.211176     -0.002152
     -0.00255      1.42803      9.90723         0.411509     -0.261738      0.001481
     -1.23416      3.56542      9.91683         0.461559     -0.211176     -0.002152
     -2.46526      5.70564      9.93827         0.433703     -0.262761     -0.000626
     -3.69399      7.84450      9.93356         0.432412     -0.258125      0.000976
     -4.92496      9.98311      9.91835         0.432179     -0.249518      0.004374
      2.46607      1.43106      9.92723         0.429628     -0.246035      0.003046
      1.23074      3.56584      9.92944         0.459769     -0.299575      0.000648
     -0.00349      5.70554      9.96613         0.426880     -0.239722     -0.005955
     -1.22728      7.84826      9.94620         0.428319     -0.247290      0.004877
     -2.45738      9.98637      9.93356         0.439749     -0.245417      0.000976
      4.93330      1.43534      9.93505         0.449659     -0.252707     -0.003329
      3.70498      3.57074      9.95146         0.428249     -0.240160     -0.005592
      2.47760      5.70925      9.97218         0.405964     -0.234383     -0.002404
      1.24026      7.85979      9.96613         0.421045     -0.249828     -0.005955
      0.00929      9.99169      9.93827         0.444409     -0.244217     -0.000626
      7.40048      1.43919      9.92553         0.432399     -0.249668     -0.002566
      6.17012      3.57737      9.93674         0.433340     -0.250189     -0.001709
      4.94330      5.71556      9.95146         0.422109     -0.250794     -0.005592
      3.71041      7.86077      9.92944         0.489324     -0.248384      0.000648
      2.47832      9.99564      9.91683         0.413663     -0.294133     -0.002152
      9.86788      1.44247      9.90857         0.435513     -0.251443     -0.001928
      8.63703      3.58094      9.92553         0.432418     -0.249634     -0.002566
      7.40676      5.71950      9.93505         0.443680     -0.263062     -0.003329
      6.17686      7.85833      9.92723         0.427887     -0.249051      0.003046
      4.94516      9.99773      9.90723         0.432426     -0.225508      0.001481
 -----------------------------------------------------------------------------------
    total drift:                               -0.001392      0.000021      0.004363


--------------------------------------------------------------------------------------------------------


 Steepest descent step on ions:
 trial-energy change:    0.058625  1 .order    0.059275   -0.039133    0.157682
  (g-gl).g = 0.391E-01      g.g   = 0.391E-01  gl.gl    = 0.000E+00
 g(Force)  = 0.274E-01   g(Stress)= 0.118E-01 ortho     = 0.000E+00
 gamma     =   0.00000
 trial     =   1.00000
 opt step  =   0.20202  (harmonic =   0.19883) maximal distance =0.00107967
 next E    =  -471.725836   (d E  =  -0.00396)


--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.67: CPU time    1.68
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.18: CPU time    1.18
    ORTHCH:  VPU time  150.27: CPU time   75.16
     LOOP+:  VPU time 9354.74: CPU time 4784.67


----------------------------------------- Iteration    3(   1)  ---------------------------------------


    POTLOK:  VPU time    7.85: CPU time    7.71
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1464.55: CPU time  747.08
 BZINTS: Fermi energy: -3.162629;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   89.91: CPU time   45.28
    MIXING:  VPU time    0.13: CPU time    0.13
    ------------------------------------------
      LOOP:  VPU time 1562.78: CPU time  800.50

 eigenvalue-minimisations  :  6024
 total energy-change (2. order) :-0.4717331E+03  (-0.3358531E+00)
 number of electron  212.0000059 magnetization    0.0000000
 augmentation part     7.9528942 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.62302E-01    rms(broyden)= 0.62267E-01
  rms(prec ) = 0.66644E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34055.52796037
  -1/2 Hartree   DENC   =    -40948.85890254
  -V(xc)+E(xc)   XCENC  =       726.56118320
  PAW double counting   =      4094.26018530    -4132.61534693
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2472.04806424
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.73313123 eV

  energy without entropy =     -471.73313123  energy(sigma->0) =     -471.73313123


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(   2)  ---------------------------------------


    POTLOK:  VPU time    7.72: CPU time    7.72
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1524.21: CPU time  777.77
 BZINTS: Fermi energy: -3.157378;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.13: CPU time   45.35
    MIXING:  VPU time    0.13: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1622.54: CPU time  831.29

 eigenvalue-minimisations  :  6360
 total energy-change (2. order) : 0.1453055E-02  (-0.9586886E-02)
 number of electron  212.0000059 magnetization    0.0000000
 augmentation part     7.9536048 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.44122E-01    rms(broyden)= 0.44119E-01
  rms(prec ) = 0.46900E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.4761
  2.4761

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34055.52796037
  -1/2 Hartree   DENC   =    -40947.98622789
  -V(xc)+E(xc)   XCENC  =       726.52682972
  PAW double counting   =      4092.95228348    -4131.29867054
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2472.89370692
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.73167818 eV

  energy without entropy =     -471.73167818  energy(sigma->0) =     -471.73167818


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(   3)  ---------------------------------------


    POTLOK:  VPU time    7.77: CPU time    7.77
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1472.90: CPU time  752.08
 BZINTS: Fermi energy: -3.143757;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   89.99: CPU time   45.35
    MIXING:  VPU time    0.14: CPU time    0.15
    ------------------------------------------
      LOOP:  VPU time 1571.14: CPU time  805.66

 eigenvalue-minimisations  :  6080
 total energy-change (2. order) : 0.5857988E-02  (-0.2160537E-02)
 number of electron  212.0000059 magnetization    0.0000000
 augmentation part     7.9540361 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.81235E-02    rms(broyden)= 0.81209E-02
  rms(prec ) = 0.87949E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5739
  2.0153  1.1325

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34055.52796037
  -1/2 Hartree   DENC   =    -40946.43345561
  -V(xc)+E(xc)   XCENC  =       726.46966543
  PAW double counting   =      4090.91427357    -4129.24862624
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.39549132
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72582019 eV

  energy without entropy =     -471.72582019  energy(sigma->0) =     -471.72582019


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(   4)  ---------------------------------------


    POTLOK:  VPU time    7.76: CPU time    7.75
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1576.81: CPU time  805.41
 BZINTS: Fermi energy: -3.142964;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.04: CPU time   45.32
    MIXING:  VPU time    0.15: CPU time    0.15
    ------------------------------------------
      LOOP:  VPU time 1675.10: CPU time  858.96

 eigenvalue-minimisations  :  6648
 total energy-change (2. order) : 0.2222957E-04  (-0.3240323E-03)
 number of electron  212.0000059 magnetization    0.0000000
 augmentation part     7.9547103 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.25729E-02    rms(broyden)= 0.25728E-02
  rms(prec ) = 0.27034E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7077
  1.3508  1.4115  2.3608

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34055.52796037
  -1/2 Hartree   DENC   =    -40946.58106596
  -V(xc)+E(xc)   XCENC  =       726.47847937
  PAW double counting   =      4091.27625902    -4129.61436296
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.25292141
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72579796 eV

  energy without entropy =     -471.72579796  energy(sigma->0) =     -471.72579796


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(   5)  ---------------------------------------


    POTLOK:  VPU time    7.77: CPU time    7.77
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1095.41: CPU time  559.61
 BZINTS: Fermi energy: -3.213043;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1103.52: CPU time  567.70

 eigenvalue-minimisations  :  3976
 total energy-change (2. order) :-0.8635452E-06  (-0.5703485E-05)
 number of electron  212.0000059 magnetization    0.0000000
 augmentation part     7.9547103 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34055.52796037
  -1/2 Hartree   DENC   =    -40946.43558888
  -V(xc)+E(xc)   XCENC  =       726.47682865
  PAW double counting   =      4091.30358043    -4129.64344774
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.39498526
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72579883 eV

  energy without entropy =     -471.72579883  energy(sigma->0) =     -471.72579883


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2193       2 -39.5328       3 -39.5328       4 -58.3160       5 -58.3198
       6 -58.3225       7 -58.3168       8 -58.3172       9 -58.3171      10 -58.3241
      11 -58.3904      12 -58.3532      13 -58.3249      14 -58.3168      15 -58.3266
      16 -58.5452      17 -58.7328      18 -58.3532      19 -58.3225      20 -58.3220
      21 -58.3595      22 -58.5452      23 -58.3904      24 -58.3198      25 -58.3251
      26 -58.3220      27 -58.3266      28 -58.3241      29 -58.3196      30 -58.3240
      31 -58.3264      32 -58.3219      33 -58.3250      34 -58.3224      35 -58.3903
      36 -58.5451      37 -58.3594      38 -58.3219      39 -58.3166      40 -58.3531
      41 -58.7327      42 -58.5451      43 -58.3265      44 -58.3171      45 -58.3248
      46 -58.3531      47 -58.3903      48 -58.3240      49 -58.3159      50 -58.3170
      51 -58.3167      52 -58.3224      53 -58.3197
 
 
 
 E-fermi :  -3.2130     XC(G=0):  -2.3586     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4211      1.00000
      2     -21.5987      1.00000
      3     -21.4766      1.00000
      4     -21.4675      1.00000
      5     -21.4361      1.00000
      6     -21.4349      1.00000
      7     -21.4248      1.00000
      8     -19.7036      1.00000
      9     -19.6493      1.00000
     10     -19.6237      1.00000
     11     -19.6155      1.00000
     12     -19.6083      1.00000
     13     -19.6080      1.00000
     14     -18.7859      1.00000
     15     -18.7531      1.00000
     16     -18.7297      1.00000
     17     -18.7202      1.00000
     18     -18.7164      1.00000
     19     -18.7086      1.00000
     20     -16.6311      1.00000
     21     -16.6103      1.00000
     22     -16.5837      1.00000
     23     -16.5771      1.00000
     24     -16.5540      1.00000
     25     -16.5496      1.00000
     26     -15.6126      1.00000
     27     -15.5982      1.00000
     28     -15.5949      1.00000
     29     -15.5601      1.00000
     30     -15.5597      1.00000
     31     -15.5585      1.00000
     32     -14.2597      1.00000
     33     -14.2488      1.00000
     34     -14.2359      1.00000
     35     -14.2310      1.00000
     36     -14.2199      1.00000
     37     -14.2185      1.00000
     38     -11.9059      1.00000
     39     -11.8786      1.00000
     40     -11.8672      1.00000
     41     -11.8639      1.00000
     42     -11.8441      1.00000
     43     -11.8435      1.00000
     44     -11.7708      1.00000
     45     -11.7632      1.00000
     46     -11.7359      1.00000
     47     -11.7261      1.00000
     48     -11.7227      1.00000
     49     -11.7163      1.00000
     50     -10.6729      1.00000
     51     -10.3869      1.00000
     52     -10.3808      1.00000
     53     -10.3735      1.00000
     54     -10.3682      1.00000
     55     -10.3521      1.00000
     56     -10.3509      1.00000
     57      -9.9015      1.00000
     58      -9.4471      1.00000
     59      -9.4015      1.00000
     60      -9.3582      1.00000
     61      -9.3581      1.00000
     62      -9.3498      1.00000
     63      -9.1456      1.00000
     64      -9.1221      1.00000
     65      -9.1120      1.00000
     66      -9.0819      1.00000
     67      -9.0756      1.00000
     68      -9.0740      1.00000
     69      -9.0740      1.00000
     70      -9.0655      1.00000
     71      -9.0545      1.00000
     72      -9.0341      1.00000
     73      -9.0299      1.00000
     74      -9.0257      1.00000
     75      -8.1265      1.00000
     76      -7.7480      1.00000
     77      -7.4700      1.00000
     78      -7.4659      1.00000
     79      -7.4524      1.00000
     80      -7.4309      1.00000
     81      -7.4283      1.00000
     82      -7.4049      1.00000
     83      -7.3091      1.00000
     84      -7.2695      1.00000
     85      -7.2541      1.00000
     86      -7.2463      1.00000
     87      -7.1455      1.00000
     88      -7.0479      1.00000
     89      -6.4433      1.00000
     90      -6.4129      1.00000
     91      -6.3972      1.00000
     92      -6.3632      1.00000
     93      -6.3513      1.00000
     94      -6.3390      1.00000
     95      -5.9663      1.00000
     96      -5.9522      1.00000
     97      -4.8074      1.00000
     98      -4.5451      1.00000
     99      -4.4827      1.00000
    100      -4.4732      1.00000
    101      -4.3832      1.00000
    102      -4.3806      1.00000
    103      -4.2667      1.00000
    104      -4.1870      1.00000
    105      -3.7390      1.00000
    106      -3.4780      1.00000
    107      -1.8645      0.00000
    108      -1.6724      0.00000
    109      -1.6256      0.00000
    110      -1.5914      0.00000
    111      -1.5773      0.00000
    112      -1.5755      0.00000
    113      -0.4291      0.00000
    114       0.1414      0.00000
    115       0.1915      0.00000
    116       0.2551      0.00000
    117       0.2618      0.00000
    118       0.2705      0.00000
    119       0.4796      0.00000
    120       0.5576      0.00000
    121       1.2562      0.00000
    122       1.2954      0.00000
    123       1.5386      0.00000
    124       1.7668      0.00000
    125       1.7789      0.00000
    126       1.7797      0.00000
    127       1.7805      0.00000
    128       1.8296      0.00000
    129       1.9546      0.00000
    130       1.9678      0.00000
    131       1.9701      0.00000
    132       1.9854      0.00000
    133       1.9919      0.00000
    134       2.0883      0.00000
    135       2.2661      0.00000
    136       2.3391      0.00000
    137       2.6129      0.00000
    138       2.6188      0.00000
    139       2.6392      0.00000
    140       2.6989      0.00000
    141       2.9401      0.00000
    142       3.0228      0.00000
    143       3.0296      0.00000
    144       3.0303      0.00000
    145       3.0313      0.00000
    146       3.0406      0.00000
    147       3.1016      0.00000
    148       3.2730      0.00000
    149       3.4285      0.00000
    150       3.5048      0.00000
    151       3.8093      0.00000
    152       3.8998      0.00000
    153       3.9051      0.00000
    154       3.9136      0.00000
    155       3.9471      0.00000
    156       3.9975      0.00000
    157       4.1944      0.00000
    158       4.2665      0.00000
    159       4.2771      0.00000
    160       4.2871      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3845      1.00000
      2     -21.8255      1.00000
      3     -21.6335      1.00000
      4     -21.6056      1.00000
      5     -21.2702      1.00000
      6     -21.2304      1.00000
      7     -21.0517      1.00000
      8     -20.1633      1.00000
      9     -20.1247      1.00000
     10     -19.6057      1.00000
     11     -19.5944      1.00000
     12     -19.4122      1.00000
     13     -19.0854      1.00000
     14     -19.0583      1.00000
     15     -19.0443      1.00000
     16     -19.0371      1.00000
     17     -18.3582      1.00000
     18     -18.3491      1.00000
     19     -18.0142      1.00000
     20     -17.0654      1.00000
     21     -17.0264      1.00000
     22     -16.9420      1.00000
     23     -16.9379      1.00000
     24     -16.4663      1.00000
     25     -16.4644      1.00000
     26     -15.6130      1.00000
     27     -15.6042      1.00000
     28     -15.2506      1.00000
     29     -15.2390      1.00000
     30     -15.1800      1.00000
     31     -15.0943      1.00000
     32     -15.0669      1.00000
     33     -14.6994      1.00000
     34     -14.6930      1.00000
     35     -13.7281      1.00000
     36     -13.7200      1.00000
     37     -13.2313      1.00000
     38     -12.6123      1.00000
     39     -12.5821      1.00000
     40     -12.4520      1.00000
     41     -12.4437      1.00000
     42     -12.1099      1.00000
     43     -12.1025      1.00000
     44     -11.7178      1.00000
     45     -11.6868      1.00000
     46     -11.2371      1.00000
     47     -11.2248      1.00000
     48     -11.0164      1.00000
     49     -11.0028      1.00000
     50     -10.9258      1.00000
     51     -10.9044      1.00000
     52     -10.6278      1.00000
     53     -10.1533      1.00000
     54     -10.1466      1.00000
     55     -10.0882      1.00000
     56      -9.9953      1.00000
     57      -9.7024      1.00000
     58      -9.6895      1.00000
     59      -9.6528      1.00000
     60      -9.5889      1.00000
     61      -9.5815      1.00000
     62      -9.5559      1.00000
     63      -9.3077      1.00000
     64      -9.2946      1.00000
     65      -9.2718      1.00000
     66      -9.2390      1.00000
     67      -9.1330      1.00000
     68      -9.1150      1.00000
     69      -9.1044      1.00000
     70      -8.9357      1.00000
     71      -8.8753      1.00000
     72      -8.6079      1.00000
     73      -8.5912      1.00000
     74      -8.2337      1.00000
     75      -8.0974      1.00000
     76      -7.9117      1.00000
     77      -7.8670      1.00000
     78      -7.7702      1.00000
     79      -7.7533      1.00000
     80      -7.6881      1.00000
     81      -7.5607      1.00000
     82      -7.3378      1.00000
     83      -7.3196      1.00000
     84      -7.2020      1.00000
     85      -7.1218      1.00000
     86      -7.0287      1.00000
     87      -7.0161      1.00000
     88      -6.7017      1.00000
     89      -6.6761      1.00000
     90      -6.6380      1.00000
     91      -6.5962      1.00000
     92      -6.1137      1.00000
     93      -6.0622      1.00000
     94      -6.0327      1.00000
     95      -6.0115      1.00000
     96      -5.7808      1.00000
     97      -4.9742      1.00000
     98      -4.8330      1.00000
     99      -4.7463      1.00000
    100      -4.6778      1.00000
    101      -4.4690      1.00000
    102      -4.2033      1.00000
    103      -4.1738      1.00000
    104      -4.1278      1.00000
    105      -3.7294      1.00000
    106      -3.4883      1.00000
    107      -1.8720      0.00000
    108      -1.8102      0.00000
    109      -1.5261      0.00000
    110      -1.3801      0.00000
    111      -1.3223      0.00000
    112      -1.2887      0.00000
    113      -0.7201      0.00000
    114      -0.3766      0.00000
    115      -0.2544      0.00000
    116       0.0389      0.00000
    117       0.5638      0.00000
    118       0.6944      0.00000
    119       0.7467      0.00000
    120       1.0484      0.00000
    121       1.0973      0.00000
    122       1.1541      0.00000
    123       1.2286      0.00000
    124       1.3832      0.00000
    125       1.5294      0.00000
    126       1.5875      0.00000
    127       1.7167      0.00000
    128       1.7947      0.00000
    129       1.8520      0.00000
    130       1.8800      0.00000
    131       2.0976      0.00000
    132       2.1976      0.00000
    133       2.2441      0.00000
    134       2.3070      0.00000
    135       2.5152      0.00000
    136       2.5910      0.00000
    137       2.5956      0.00000
    138       2.7653      0.00000
    139       2.7831      0.00000
    140       2.8169      0.00000
    141       2.8190      0.00000
    142       2.8855      0.00000
    143       2.9351      0.00000
    144       3.0824      0.00000
    145       3.1565      0.00000
    146       3.2941      0.00000
    147       3.3396      0.00000
    148       3.3979      0.00000
    149       3.4485      0.00000
    150       3.5817      0.00000
    151       3.6244      0.00000
    152       3.6400      0.00000
    153       3.6951      0.00000
    154       3.8941      0.00000
    155       3.9513      0.00000
    156       4.0145      0.00000
    157       4.0613      0.00000
    158       4.2117      0.00000
    159       4.2340      0.00000
    160       4.2718      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2785      1.00000
      2     -22.0728      1.00000
      3     -21.7120      1.00000
      4     -21.6800      1.00000
      5     -20.9750      1.00000
      6     -20.9341      1.00000
      7     -20.6074      1.00000
      8     -20.5704      1.00000
      9     -20.5640      1.00000
     10     -20.0276      1.00000
     11     -19.5005      1.00000
     12     -19.4886      1.00000
     13     -19.3040      1.00000
     14     -19.2984      1.00000
     15     -18.4435      1.00000
     16     -18.4064      1.00000
     17     -17.9195      1.00000
     18     -17.9105      1.00000
     19     -17.7575      1.00000
     20     -17.7214      1.00000
     21     -17.4335      1.00000
     22     -17.4261      1.00000
     23     -17.3363      1.00000
     24     -16.4623      1.00000
     25     -16.4619      1.00000
     26     -15.9618      1.00000
     27     -15.4142      1.00000
     28     -15.4058      1.00000
     29     -15.0972      1.00000
     30     -15.0897      1.00000
     31     -14.8527      1.00000
     32     -14.8440      1.00000
     33     -14.2870      1.00000
     34     -14.2538      1.00000
     35     -13.4339      1.00000
     36     -13.4012      1.00000
     37     -13.1790      1.00000
     38     -13.1704      1.00000
     39     -12.9775      1.00000
     40     -12.9711      1.00000
     41     -12.6145      1.00000
     42     -12.6064      1.00000
     43     -12.1935      1.00000
     44     -11.5769      1.00000
     45     -11.5431      1.00000
     46     -11.3105      1.00000
     47     -11.2879      1.00000
     48     -11.1380      1.00000
     49     -10.6791      1.00000
     50     -10.6594      1.00000
     51     -10.5509      1.00000
     52     -10.3210      1.00000
     53     -10.3118      1.00000
     54     -10.1657      1.00000
     55     -10.1183      1.00000
     56     -10.1117      1.00000
     57      -9.7957      1.00000
     58      -9.7561      1.00000
     59      -9.7527      1.00000
     60      -9.7023      1.00000
     61      -9.6872      1.00000
     62      -9.6583      1.00000
     63      -9.3550      1.00000
     64      -9.3447      1.00000
     65      -9.3183      1.00000
     66      -9.0392      1.00000
     67      -8.9554      1.00000
     68      -8.9496      1.00000
     69      -8.7963      1.00000
     70      -8.5972      1.00000
     71      -8.5556      1.00000
     72      -8.3956      1.00000
     73      -8.3611      1.00000
     74      -8.3249      1.00000
     75      -8.3048      1.00000
     76      -8.2617      1.00000
     77      -8.2553      1.00000
     78      -8.2390      1.00000
     79      -7.9009      1.00000
     80      -7.6489      1.00000
     81      -7.5486      1.00000
     82      -7.3846      1.00000
     83      -7.3470      1.00000
     84      -7.2279      1.00000
     85      -7.0937      1.00000
     86      -7.0374      1.00000
     87      -6.9312      1.00000
     88      -6.8470      1.00000
     89      -6.6167      1.00000
     90      -6.5560      1.00000
     91      -6.2739      1.00000
     92      -6.0415      1.00000
     93      -5.9494      1.00000
     94      -5.6602      1.00000
     95      -5.6234      1.00000
     96      -5.4619      1.00000
     97      -5.3174      1.00000
     98      -5.2776      1.00000
     99      -5.2109      1.00000
    100      -5.1950      1.00000
    101      -4.5092      1.00000
    102      -4.2076      1.00000
    103      -4.0607      1.00000
    104      -3.9901      1.00000
    105      -3.6942      1.00000
    106      -3.4987      1.00000
    107      -1.9475      0.00000
    108      -1.8969      0.00000
    109      -1.3405      0.00000
    110      -1.0857      0.00000
    111      -1.0612      0.00000
    112      -0.8016      0.00000
    113      -0.6818      0.00000
    114      -0.6476      0.00000
    115      -0.6087      0.00000
    116      -0.1075      0.00000
    117       0.2136      0.00000
    118       0.3299      0.00000
    119       0.7027      0.00000
    120       0.8972      0.00000
    121       1.1250      0.00000
    122       1.1977      0.00000
    123       1.3321      0.00000
    124       1.4284      0.00000
    125       1.5515      0.00000
    126       1.5752      0.00000
    127       1.6841      0.00000
    128       1.8106      0.00000
    129       1.8811      0.00000
    130       2.0475      0.00000
    131       2.0902      0.00000
    132       2.3003      0.00000
    133       2.3520      0.00000
    134       2.4039      0.00000
    135       2.5564      0.00000
    136       2.6305      0.00000
    137       2.7142      0.00000
    138       2.7309      0.00000
    139       2.7844      0.00000
    140       2.8681      0.00000
    141       3.0243      0.00000
    142       3.0595      0.00000
    143       3.1709      0.00000
    144       3.2598      0.00000
    145       3.3589      0.00000
    146       3.4064      0.00000
    147       3.4281      0.00000
    148       3.5477      0.00000
    149       3.5676      0.00000
    150       3.5883      0.00000
    151       3.6539      0.00000
    152       3.6725      0.00000
    153       3.7552      0.00000
    154       3.7639      0.00000
    155       3.7956      0.00000
    156       3.8819      0.00000
    157       3.9186      0.00000
    158       3.9924      0.00000
    159       4.2095      0.00000
    160       4.2194      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3124      1.00000
      2     -21.9580      1.00000
      3     -21.8884      1.00000
      4     -21.3768      1.00000
      5     -21.3474      1.00000
      6     -20.8346      1.00000
      7     -20.7689      1.00000
      8     -20.6184      1.00000
      9     -20.0747      1.00000
     10     -20.0691      1.00000
     11     -19.7123      1.00000
     12     -19.6876      1.00000
     13     -18.9933      1.00000
     14     -18.9875      1.00000
     15     -18.6398      1.00000
     16     -18.6237      1.00000
     17     -18.4559      1.00000
     18     -17.6702      1.00000
     19     -17.6198      1.00000
     20     -17.6165      1.00000
     21     -17.5740      1.00000
     22     -17.1254      1.00000
     23     -17.1034      1.00000
     24     -16.9648      1.00000
     25     -16.0040      1.00000
     26     -15.9276      1.00000
     27     -15.5813      1.00000
     28     -15.5810      1.00000
     29     -15.2842      1.00000
     30     -14.8621      1.00000
     31     -14.8345      1.00000
     32     -14.5738      1.00000
     33     -14.5317      1.00000
     34     -14.1709      1.00000
     35     -14.1572      1.00000
     36     -13.1483      1.00000
     37     -13.0935      1.00000
     38     -13.0238      1.00000
     39     -13.0140      1.00000
     40     -12.7042      1.00000
     41     -12.7001      1.00000
     42     -12.3409      1.00000
     43     -12.3094      1.00000
     44     -11.6398      1.00000
     45     -11.6265      1.00000
     46     -11.5710      1.00000
     47     -10.9506      1.00000
     48     -10.9173      1.00000
     49     -10.6297      1.00000
     50     -10.6213      1.00000
     51     -10.5442      1.00000
     52     -10.5016      1.00000
     53     -10.5011      1.00000
     54     -10.4380      1.00000
     55     -10.3503      1.00000
     56     -10.0958      1.00000
     57      -9.8992      1.00000
     58      -9.5987      1.00000
     59      -9.5459      1.00000
     60      -9.4520      1.00000
     61      -9.4145      1.00000
     62      -9.4042      1.00000
     63      -9.3705      1.00000
     64      -9.3691      1.00000
     65      -9.2844      1.00000
     66      -9.1735      1.00000
     67      -9.1487      1.00000
     68      -9.1162      1.00000
     69      -8.8680      1.00000
     70      -8.8609      1.00000
     71      -8.8124      1.00000
     72      -8.5928      1.00000
     73      -8.4761      1.00000
     74      -8.2014      1.00000
     75      -8.1662      1.00000
     76      -8.0055      1.00000
     77      -7.9643      1.00000
     78      -7.8443      1.00000
     79      -7.8337      1.00000
     80      -7.7028      1.00000
     81      -7.6946      1.00000
     82      -7.6189      1.00000
     83      -7.4472      1.00000
     84      -7.2961      1.00000
     85      -7.2521      1.00000
     86      -6.9085      1.00000
     87      -6.8956      1.00000
     88      -6.5866      1.00000
     89      -6.5495      1.00000
     90      -6.4008      1.00000
     91      -6.2536      1.00000
     92      -6.2328      1.00000
     93      -6.2124      1.00000
     94      -6.0195      1.00000
     95      -5.5478      1.00000
     96      -5.4865      1.00000
     97      -5.3479      1.00000
     98      -5.2165      1.00000
     99      -4.9813      1.00000
    100      -4.7328      1.00000
    101      -4.6783      1.00000
    102      -4.3875      1.00000
    103      -4.2029      1.00000
    104      -3.8723      1.00000
    105      -3.5476      1.00000
    106      -3.5108      1.00000
    107      -2.2564      0.00000
    108      -1.4593      0.00000
    109      -1.3742      0.00000
    110      -1.2430      0.00000
    111      -1.0986      0.00000
    112      -0.9447      0.00000
    113      -0.8642      0.00000
    114      -0.8044      0.00000
    115      -0.1390      0.00000
    116       0.1061      0.00000
    117       0.2358      0.00000
    118       0.3770      0.00000
    119       0.6606      0.00000
    120       0.8361      0.00000
    121       0.9355      0.00000
    122       1.0729      0.00000
    123       1.2405      0.00000
    124       1.4542      0.00000
    125       1.5563      0.00000
    126       1.7650      0.00000
    127       1.7900      0.00000
    128       1.8620      0.00000
    129       1.9787      0.00000
    130       2.0373      0.00000
    131       2.1802      0.00000
    132       2.1805      0.00000
    133       2.4048      0.00000
    134       2.4168      0.00000
    135       2.5044      0.00000
    136       2.5977      0.00000
    137       2.6304      0.00000
    138       2.7039      0.00000
    139       2.7558      0.00000
    140       2.8455      0.00000
    141       2.9534      0.00000
    142       3.0684      0.00000
    143       3.1697      0.00000
    144       3.1986      0.00000
    145       3.2288      0.00000
    146       3.2815      0.00000
    147       3.3135      0.00000
    148       3.4564      0.00000
    149       3.5049      0.00000
    150       3.6930      0.00000
    151       3.7187      0.00000
    152       3.7201      0.00000
    153       3.8605      0.00000
    154       3.8988      0.00000
    155       3.9327      0.00000
    156       3.9657      0.00000
    157       4.0203      0.00000
    158       4.0404      0.00000
    159       4.0550      0.00000
    160       4.1856      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2056      1.00000
      2     -22.1123      1.00000
      3     -21.9519      1.00000
      4     -21.4000      1.00000
      5     -21.0452      1.00000
      6     -21.0090      1.00000
      7     -20.4965      1.00000
      8     -20.4569      1.00000
      9     -20.2900      1.00000
     10     -20.2706      1.00000
     11     -19.9542      1.00000
     12     -19.8884      1.00000
     13     -18.8802      1.00000
     14     -18.8113      1.00000
     15     -18.3488      1.00000
     16     -18.3021      1.00000
     17     -18.1501      1.00000
     18     -18.1326      1.00000
     19     -17.8229      1.00000
     20     -17.7851      1.00000
     21     -17.2490      1.00000
     22     -17.2419      1.00000
     23     -17.1605      1.00000
     24     -17.1320      1.00000
     25     -16.1049      1.00000
     26     -15.8837      1.00000
     27     -15.8672      1.00000
     28     -15.8343      1.00000
     29     -15.2337      1.00000
     30     -14.5550      1.00000
     31     -14.5263      1.00000
     32     -14.2781      1.00000
     33     -13.9604      1.00000
     34     -13.9523      1.00000
     35     -13.8182      1.00000
     36     -13.8032      1.00000
     37     -13.6135      1.00000
     38     -13.5690      1.00000
     39     -13.3648      1.00000
     40     -12.6299      1.00000
     41     -12.1813      1.00000
     42     -12.1321      1.00000
     43     -12.0706      1.00000
     44     -12.0183      1.00000
     45     -11.6657      1.00000
     46     -11.6522      1.00000
     47     -11.1411      1.00000
     48     -11.1187      1.00000
     49     -10.7963      1.00000
     50     -10.7327      1.00000
     51     -10.5265      1.00000
     52     -10.2074      1.00000
     53     -10.1990      1.00000
     54     -10.1602      1.00000
     55     -10.0160      1.00000
     56      -9.9991      1.00000
     57      -9.9873      1.00000
     58      -9.8032      1.00000
     59      -9.7883      1.00000
     60      -9.7644      1.00000
     61      -9.7564      1.00000
     62      -9.4573      1.00000
     63      -9.4149      1.00000
     64      -9.0800      1.00000
     65      -9.0680      1.00000
     66      -9.0381      1.00000
     67      -8.9567      1.00000
     68      -8.8737      1.00000
     69      -8.7111      1.00000
     70      -8.6945      1.00000
     71      -8.5684      1.00000
     72      -8.5461      1.00000
     73      -8.4983      1.00000
     74      -8.4581      1.00000
     75      -8.4543      1.00000
     76      -8.2579      1.00000
     77      -8.1219      1.00000
     78      -8.0401      1.00000
     79      -7.9135      1.00000
     80      -7.8611      1.00000
     81      -7.6134      1.00000
     82      -7.5494      1.00000
     83      -7.4872      1.00000
     84      -7.2677      1.00000
     85      -6.9933      1.00000
     86      -6.9214      1.00000
     87      -6.8797      1.00000
     88      -6.5356      1.00000
     89      -6.4903      1.00000
     90      -6.4598      1.00000
     91      -6.4094      1.00000
     92      -5.9817      1.00000
     93      -5.8954      1.00000
     94      -5.7813      1.00000
     95      -5.7599      1.00000
     96      -5.4305      1.00000
     97      -5.3282      1.00000
     98      -5.2281      1.00000
     99      -5.2152      1.00000
    100      -5.1899      1.00000
    101      -4.6929      1.00000
    102      -4.4218      1.00000
    103      -4.2094      1.00000
    104      -3.8349      1.00000
    105      -3.5301      1.00000
    106      -3.2751      1.00000
    107      -2.5311      0.00000
    108      -1.4599      0.00000
    109      -1.2685      0.00000
    110      -1.2038      0.00000
    111      -1.1742      0.00000
    112      -0.7216      0.00000
    113      -0.5055      0.00000
    114      -0.4142      0.00000
    115      -0.3430      0.00000
    116      -0.1469      0.00000
    117      -0.0041      0.00000
    118       0.1955      0.00000
    119       0.5592      0.00000
    120       0.6111      0.00000
    121       0.8030      0.00000
    122       0.9190      0.00000
    123       1.1413      0.00000
    124       1.5008      0.00000
    125       1.6429      0.00000
    126       1.8609      0.00000
    127       1.9323      0.00000
    128       2.0848      0.00000
    129       2.1088      0.00000
    130       2.1257      0.00000
    131       2.1677      0.00000
    132       2.2758      0.00000
    133       2.3071      0.00000
    134       2.4628      0.00000
    135       2.5761      0.00000
    136       2.6601      0.00000
    137       2.8557      0.00000
    138       2.8688      0.00000
    139       2.8973      0.00000
    140       2.9724      0.00000
    141       3.0134      0.00000
    142       3.1420      0.00000
    143       3.1457      0.00000
    144       3.2117      0.00000
    145       3.2703      0.00000
    146       3.2831      0.00000
    147       3.3015      0.00000
    148       3.3496      0.00000
    149       3.4199      0.00000
    150       3.4380      0.00000
    151       3.5475      0.00000
    152       3.6072      0.00000
    153       3.6639      0.00000
    154       3.7003      0.00000
    155       3.7825      0.00000
    156       3.8979      0.00000
    157       3.9183      0.00000
    158       4.0052      0.00000
    159       4.1355      0.00000
    160       4.2315      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3123      1.00000
      2     -21.9594      1.00000
      3     -21.8871      1.00000
      4     -21.3797      1.00000
      5     -21.3431      1.00000
      6     -20.8354      1.00000
      7     -20.7689      1.00000
      8     -20.6212      1.00000
      9     -20.0849      1.00000
     10     -20.0559      1.00000
     11     -19.7148      1.00000
     12     -19.6858      1.00000
     13     -19.0061      1.00000
     14     -18.9747      1.00000
     15     -18.6451      1.00000
     16     -18.6122      1.00000
     17     -18.4587      1.00000
     18     -17.6581      1.00000
     19     -17.6467      1.00000
     20     -17.6088      1.00000
     21     -17.5766      1.00000
     22     -17.1342      1.00000
     23     -17.0940      1.00000
     24     -16.9616      1.00000
     25     -16.0047      1.00000
     26     -15.9182      1.00000
     27     -15.5970      1.00000
     28     -15.5721      1.00000
     29     -15.2779      1.00000
     30     -14.8746      1.00000
     31     -14.8266      1.00000
     32     -14.5746      1.00000
     33     -14.5369      1.00000
     34     -14.1592      1.00000
     35     -14.1555      1.00000
     36     -13.1610      1.00000
     37     -13.0940      1.00000
     38     -13.0244      1.00000
     39     -13.0178      1.00000
     40     -12.7187      1.00000
     41     -12.6941      1.00000
     42     -12.3368      1.00000
     43     -12.3083      1.00000
     44     -11.6279      1.00000
     45     -11.6191      1.00000
     46     -11.5662      1.00000
     47     -10.9386      1.00000
     48     -10.9176      1.00000
     49     -10.6694      1.00000
     50     -10.5913      1.00000
     51     -10.5706      1.00000
     52     -10.4949      1.00000
     53     -10.4863      1.00000
     54     -10.4393      1.00000
     55     -10.3584      1.00000
     56     -10.1001      1.00000
     57      -9.8936      1.00000
     58      -9.6114      1.00000
     59      -9.5543      1.00000
     60      -9.4526      1.00000
     61      -9.4135      1.00000
     62      -9.4062      1.00000
     63      -9.3813      1.00000
     64      -9.3731      1.00000
     65      -9.2636      1.00000
     66      -9.1624      1.00000
     67      -9.1383      1.00000
     68      -9.1129      1.00000
     69      -8.8665      1.00000
     70      -8.8519      1.00000
     71      -8.7998      1.00000
     72      -8.5937      1.00000
     73      -8.5243      1.00000
     74      -8.1919      1.00000
     75      -8.1664      1.00000
     76      -8.0730      1.00000
     77      -7.8595      1.00000
     78      -7.8385      1.00000
     79      -7.8237      1.00000
     80      -7.7127      1.00000
     81      -7.6963      1.00000
     82      -7.5934      1.00000
     83      -7.5296      1.00000
     84      -7.3468      1.00000
     85      -7.1664      1.00000
     86      -6.9060      1.00000
     87      -6.8927      1.00000
     88      -6.5885      1.00000
     89      -6.5505      1.00000
     90      -6.4102      1.00000
     91      -6.2993      1.00000
     92      -6.2446      1.00000
     93      -6.1983      1.00000
     94      -6.0034      1.00000
     95      -5.5303      1.00000
     96      -5.4664      1.00000
     97      -5.3137      1.00000
     98      -5.2096      1.00000
     99      -5.0457      1.00000
    100      -4.7218      1.00000
    101      -4.6722      1.00000
    102      -4.4241      1.00000
    103      -4.1943      1.00000
    104      -3.8435      1.00000
    105      -3.6345      1.00000
    106      -3.4158      1.00000
    107      -2.2941      0.00000
    108      -1.5114      0.00000
    109      -1.2718      0.00000
    110      -1.2635      0.00000
    111      -1.0349      0.00000
    112      -0.9817      0.00000
    113      -0.8698      0.00000
    114      -0.8018      0.00000
    115      -0.2610      0.00000
    116       0.2037      0.00000
    117       0.2380      0.00000
    118       0.3611      0.00000
    119       0.6993      0.00000
    120       0.8905      0.00000
    121       0.9230      0.00000
    122       1.0484      0.00000
    123       1.1753      0.00000
    124       1.5151      0.00000
    125       1.5664      0.00000
    126       1.7113      0.00000
    127       1.7748      0.00000
    128       1.8263      0.00000
    129       1.9489      0.00000
    130       1.9910      0.00000
    131       2.1704      0.00000
    132       2.2699      0.00000
    133       2.3984      0.00000
    134       2.4235      0.00000
    135       2.5091      0.00000
    136       2.5983      0.00000
    137       2.6156      0.00000
    138       2.7057      0.00000
    139       2.7367      0.00000
    140       2.8745      0.00000
    141       3.0417      0.00000
    142       3.0672      0.00000
    143       3.1676      0.00000
    144       3.2166      0.00000
    145       3.2247      0.00000
    146       3.2825      0.00000
    147       3.3187      0.00000
    148       3.4480      0.00000
    149       3.5236      0.00000
    150       3.6962      0.00000
    151       3.7130      0.00000
    152       3.7333      0.00000
    153       3.8308      0.00000
    154       3.8732      0.00000
    155       3.9217      0.00000
    156       3.9660      0.00000
    157       3.9787      0.00000
    158       4.0179      0.00000
    159       4.0341      0.00000
    160       4.0922      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3844      1.00000
      2     -21.8262      1.00000
      3     -21.6361      1.00000
      4     -21.6013      1.00000
      5     -21.2737      1.00000
      6     -21.2270      1.00000
      7     -21.0526      1.00000
      8     -20.1677      1.00000
      9     -20.1219      1.00000
     10     -19.6113      1.00000
     11     -19.5845      1.00000
     12     -19.4138      1.00000
     13     -19.0915      1.00000
     14     -19.0515      1.00000
     15     -19.0470      1.00000
     16     -19.0356      1.00000
     17     -18.3626      1.00000
     18     -18.3424      1.00000
     19     -18.0169      1.00000
     20     -17.0726      1.00000
     21     -17.0244      1.00000
     22     -16.9472      1.00000
     23     -16.9328      1.00000
     24     -16.4691      1.00000
     25     -16.4572      1.00000
     26     -15.6036      1.00000
     27     -15.6031      1.00000
     28     -15.2487      1.00000
     29     -15.2362      1.00000
     30     -15.1925      1.00000
     31     -15.1012      1.00000
     32     -15.0683      1.00000
     33     -14.6931      1.00000
     34     -14.6919      1.00000
     35     -13.7210      1.00000
     36     -13.7208      1.00000
     37     -13.2387      1.00000
     38     -12.6254      1.00000
     39     -12.5811      1.00000
     40     -12.4541      1.00000
     41     -12.4485      1.00000
     42     -12.1038      1.00000
     43     -12.0985      1.00000
     44     -11.7124      1.00000
     45     -11.6736      1.00000
     46     -11.2434      1.00000
     47     -11.2220      1.00000
     48     -11.0193      1.00000
     49     -11.0075      1.00000
     50     -10.9216      1.00000
     51     -10.8927      1.00000
     52     -10.6340      1.00000
     53     -10.1728      1.00000
     54     -10.1496      1.00000
     55     -10.0900      1.00000
     56      -9.9896      1.00000
     57      -9.6964      1.00000
     58      -9.6890      1.00000
     59      -9.6668      1.00000
     60      -9.5873      1.00000
     61      -9.5636      1.00000
     62      -9.5495      1.00000
     63      -9.3147      1.00000
     64      -9.3034      1.00000
     65      -9.2810      1.00000
     66      -9.2321      1.00000
     67      -9.1201      1.00000
     68      -9.1152      1.00000
     69      -9.1119      1.00000
     70      -8.9366      1.00000
     71      -8.8648      1.00000
     72      -8.6012      1.00000
     73      -8.5829      1.00000
     74      -8.2690      1.00000
     75      -8.1086      1.00000
     76      -7.8592      1.00000
     77      -7.8413      1.00000
     78      -7.7899      1.00000
     79      -7.7670      1.00000
     80      -7.7590      1.00000
     81      -7.4477      1.00000
     82      -7.3383      1.00000
     83      -7.3268      1.00000
     84      -7.2619      1.00000
     85      -7.1576      1.00000
     86      -7.0071      1.00000
     87      -6.9854      1.00000
     88      -6.7142      1.00000
     89      -6.6868      1.00000
     90      -6.6309      1.00000
     91      -6.5889      1.00000
     92      -6.1253      1.00000
     93      -6.0551      1.00000
     94      -6.0425      1.00000
     95      -6.0236      1.00000
     96      -5.7489      1.00000
     97      -4.9750      1.00000
     98      -4.8389      1.00000
     99      -4.7098      1.00000
    100      -4.6748      1.00000
    101      -4.4837      1.00000
    102      -4.3519      1.00000
    103      -4.1103      1.00000
    104      -4.0548      1.00000
    105      -3.7547      1.00000
    106      -3.4656      1.00000
    107      -1.9536      0.00000
    108      -1.7722      0.00000
    109      -1.4808      0.00000
    110      -1.3557      0.00000
    111      -1.3377      0.00000
    112      -1.2950      0.00000
    113      -0.6829      0.00000
    114      -0.4727      0.00000
    115      -0.2355      0.00000
    116       0.0539      0.00000
    117       0.5975      0.00000
    118       0.6913      0.00000
    119       0.7702      0.00000
    120       1.0212      0.00000
    121       1.0928      0.00000
    122       1.1760      0.00000
    123       1.2555      0.00000
    124       1.3374      0.00000
    125       1.4403      0.00000
    126       1.6019      0.00000
    127       1.7471      0.00000
    128       1.8440      0.00000
    129       1.8538      0.00000
    130       1.8911      0.00000
    131       2.0402      0.00000
    132       2.2197      0.00000
    133       2.2461      0.00000
    134       2.2863      0.00000
    135       2.4788      0.00000
    136       2.5865      0.00000
    137       2.6317      0.00000
    138       2.7575      0.00000
    139       2.7609      0.00000
    140       2.8257      0.00000
    141       2.8337      0.00000
    142       2.8417      0.00000
    143       2.9331      0.00000
    144       3.0859      0.00000
    145       3.2966      0.00000
    146       3.3341      0.00000
    147       3.3752      0.00000
    148       3.3963      0.00000
    149       3.4084      0.00000
    150       3.5535      0.00000
    151       3.6056      0.00000
    152       3.6571      0.00000
    153       3.7234      0.00000
    154       3.8917      0.00000
    155       3.9231      0.00000
    156       3.9355      0.00000
    157       4.1020      0.00000
    158       4.1912      0.00000
    159       4.2296      0.00000
    160       4.3869      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2050      1.00000
      2     -22.1137      1.00000
      3     -21.9512      1.00000
      4     -21.3991      1.00000
      5     -21.0418      1.00000
      6     -21.0134      1.00000
      7     -20.4916      1.00000
      8     -20.4616      1.00000
      9     -20.2832      1.00000
     10     -20.2813      1.00000
     11     -19.9512      1.00000
     12     -19.8877      1.00000
     13     -18.8777      1.00000
     14     -18.8096      1.00000
     15     -18.3368      1.00000
     16     -18.3174      1.00000
     17     -18.1457      1.00000
     18     -18.1381      1.00000
     19     -17.8147      1.00000
     20     -17.7964      1.00000
     21     -17.2542      1.00000
     22     -17.2347      1.00000
     23     -17.1631      1.00000
     24     -17.1290      1.00000
     25     -16.1145      1.00000
     26     -15.8748      1.00000
     27     -15.8637      1.00000
     28     -15.8346      1.00000
     29     -15.2325      1.00000
     30     -14.5449      1.00000
     31     -14.5264      1.00000
     32     -14.2765      1.00000
     33     -13.9769      1.00000
     34     -13.9530      1.00000
     35     -13.8248      1.00000
     36     -13.8024      1.00000
     37     -13.6016      1.00000
     38     -13.5760      1.00000
     39     -13.3664      1.00000
     40     -12.6365      1.00000
     41     -12.1659      1.00000
     42     -12.1393      1.00000
     43     -12.0616      1.00000
     44     -12.0142      1.00000
     45     -11.6698      1.00000
     46     -11.6651      1.00000
     47     -11.1321      1.00000
     48     -11.1209      1.00000
     49     -10.7813      1.00000
     50     -10.7246      1.00000
     51     -10.5334      1.00000
     52     -10.2111      1.00000
     53     -10.2050      1.00000
     54     -10.1661      1.00000
     55     -10.0235      1.00000
     56      -9.9915      1.00000
     57      -9.9905      1.00000
     58      -9.8073      1.00000
     59      -9.7988      1.00000
     60      -9.7638      1.00000
     61      -9.7554      1.00000
     62      -9.4436      1.00000
     63      -9.4134      1.00000
     64      -9.0859      1.00000
     65      -9.0478      1.00000
     66      -9.0231      1.00000
     67      -8.9669      1.00000
     68      -8.8947      1.00000
     69      -8.7118      1.00000
     70      -8.7026      1.00000
     71      -8.5511      1.00000
     72      -8.5407      1.00000
     73      -8.4756      1.00000
     74      -8.4589      1.00000
     75      -8.4559      1.00000
     76      -8.3065      1.00000
     77      -8.0933      1.00000
     78      -8.0866      1.00000
     79      -7.9288      1.00000
     80      -7.8291      1.00000
     81      -7.5970      1.00000
     82      -7.5327      1.00000
     83      -7.4378      1.00000
     84      -7.3153      1.00000
     85      -7.0003      1.00000
     86      -6.9249      1.00000
     87      -6.8873      1.00000
     88      -6.5230      1.00000
     89      -6.5105      1.00000
     90      -6.4756      1.00000
     91      -6.4166      1.00000
     92      -5.9268      1.00000
     93      -5.9054      1.00000
     94      -5.7876      1.00000
     95      -5.7733      1.00000
     96      -5.3698      1.00000
     97      -5.3628      1.00000
     98      -5.2220      1.00000
     99      -5.2141      1.00000
    100      -5.1969      1.00000
    101      -4.7185      1.00000
    102      -4.4425      1.00000
    103      -4.1904      1.00000
    104      -3.8211      1.00000
    105      -3.5663      1.00000
    106      -3.2196      1.00000
    107      -2.5651      0.00000
    108      -1.4655      0.00000
    109      -1.2712      0.00000
    110      -1.1863      0.00000
    111      -1.1832      0.00000
    112      -0.6465      0.00000
    113      -0.5539      0.00000
    114      -0.4162      0.00000
    115      -0.3474      0.00000
    116      -0.0796      0.00000
    117      -0.0676      0.00000
    118       0.1260      0.00000
    119       0.5914      0.00000
    120       0.6266      0.00000
    121       0.8655      0.00000
    122       0.9933      0.00000
    123       1.0135      0.00000
    124       1.5011      0.00000
    125       1.6923      0.00000
    126       1.7706      0.00000
    127       1.8691      0.00000
    128       2.0901      0.00000
    129       2.1180      0.00000
    130       2.1746      0.00000
    131       2.2079      0.00000
    132       2.2437      0.00000
    133       2.3260      0.00000
    134       2.4982      0.00000
    135       2.5004      0.00000
    136       2.6704      0.00000
    137       2.8442      0.00000
    138       2.8535      0.00000
    139       2.9532      0.00000
    140       2.9636      0.00000
    141       3.0245      0.00000
    142       3.1412      0.00000
    143       3.1570      0.00000
    144       3.2263      0.00000
    145       3.2459      0.00000
    146       3.2789      0.00000
    147       3.3035      0.00000
    148       3.3592      0.00000
    149       3.4109      0.00000
    150       3.5425      0.00000
    151       3.5651      0.00000
    152       3.6452      0.00000
    153       3.6479      0.00000
    154       3.6702      0.00000
    155       3.6934      0.00000
    156       3.9035      0.00000
    157       3.9381      0.00000
    158       4.0376      0.00000
    159       4.0786      0.00000
    160       4.1838      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2783      1.00000
      2     -22.0737      1.00000
      3     -21.7147      1.00000
      4     -21.6758      1.00000
      5     -20.9781      1.00000
      6     -20.9306      1.00000
      7     -20.6071      1.00000
      8     -20.5759      1.00000
      9     -20.5616      1.00000
     10     -20.0297      1.00000
     11     -19.5079      1.00000
     12     -19.4772      1.00000
     13     -19.3058      1.00000
     14     -19.2924      1.00000
     15     -18.4479      1.00000
     16     -18.4052      1.00000
     17     -17.9239      1.00000
     18     -17.9031      1.00000
     19     -17.7652      1.00000
     20     -17.7206      1.00000
     21     -17.4385      1.00000
     22     -17.4196      1.00000
     23     -17.3404      1.00000
     24     -16.4645      1.00000
     25     -16.4544      1.00000
     26     -15.9693      1.00000
     27     -15.4049      1.00000
     28     -15.4038      1.00000
     29     -15.0901      1.00000
     30     -15.0871      1.00000
     31     -14.8540      1.00000
     32     -14.8414      1.00000
     33     -14.2988      1.00000
     34     -14.2552      1.00000
     35     -13.4458      1.00000
     36     -13.4020      1.00000
     37     -13.1720      1.00000
     38     -13.1704      1.00000
     39     -12.9832      1.00000
     40     -12.9741      1.00000
     41     -12.6085      1.00000
     42     -12.6061      1.00000
     43     -12.2012      1.00000
     44     -11.5708      1.00000
     45     -11.5294      1.00000
     46     -11.3053      1.00000
     47     -11.2750      1.00000
     48     -11.1475      1.00000
     49     -10.6899      1.00000
     50     -10.6593      1.00000
     51     -10.5441      1.00000
     52     -10.3247      1.00000
     53     -10.3170      1.00000
     54     -10.1716      1.00000
     55     -10.1172      1.00000
     56     -10.1042      1.00000
     57      -9.8090      1.00000
     58      -9.7542      1.00000
     59      -9.7528      1.00000
     60      -9.7042      1.00000
     61      -9.7003      1.00000
     62      -9.6424      1.00000
     63      -9.3545      1.00000
     64      -9.3532      1.00000
     65      -9.3068      1.00000
     66      -9.0251      1.00000
     67      -8.9638      1.00000
     68      -8.9593      1.00000
     69      -8.7720      1.00000
     70      -8.5860      1.00000
     71      -8.5817      1.00000
     72      -8.4218      1.00000
     73      -8.3468      1.00000
     74      -8.3219      1.00000
     75      -8.3046      1.00000
     76      -8.2642      1.00000
     77      -8.2513      1.00000
     78      -8.2314      1.00000
     79      -7.9186      1.00000
     80      -7.7319      1.00000
     81      -7.3834      1.00000
     82      -7.3538      1.00000
     83      -7.3254      1.00000
     84      -7.2237      1.00000
     85      -7.1562      1.00000
     86      -7.0605      1.00000
     87      -6.9568      1.00000
     88      -6.9008      1.00000
     89      -6.6063      1.00000
     90      -6.5645      1.00000
     91      -6.2644      1.00000
     92      -5.9960      1.00000
     93      -5.9596      1.00000
     94      -5.6735      1.00000
     95      -5.6467      1.00000
     96      -5.3876      1.00000
     97      -5.3164      1.00000
     98      -5.2943      1.00000
     99      -5.2110      1.00000
    100      -5.1992      1.00000
    101      -4.5122      1.00000
    102      -4.3386      1.00000
    103      -3.9949      1.00000
    104      -3.8848      1.00000
    105      -3.7926      1.00000
    106      -3.4431      1.00000
    107      -2.0381      0.00000
    108      -1.8650      0.00000
    109      -1.2185      0.00000
    110      -1.1884      0.00000
    111      -1.0354      0.00000
    112      -0.7725      0.00000
    113      -0.6798      0.00000
    114      -0.6597      0.00000
    115      -0.6130      0.00000
    116      -0.1009      0.00000
    117       0.2185      0.00000
    118       0.2392      0.00000
    119       0.7799      0.00000
    120       0.9916      0.00000
    121       1.0759      0.00000
    122       1.2423      0.00000
    123       1.2529      0.00000
    124       1.3497      0.00000
    125       1.5780      0.00000
    126       1.5829      0.00000
    127       1.7057      0.00000
    128       1.7995      0.00000
    129       1.9577      0.00000
    130       1.9655      0.00000
    131       2.0421      0.00000
    132       2.2544      0.00000
    133       2.3331      0.00000
    134       2.4245      0.00000
    135       2.5459      0.00000
    136       2.6288      0.00000
    137       2.7224      0.00000
    138       2.7904      0.00000
    139       2.8488      0.00000
    140       2.8532      0.00000
    141       3.0219      0.00000
    142       3.1074      0.00000
    143       3.1603      0.00000
    144       3.2132      0.00000
    145       3.3644      0.00000
    146       3.4040      0.00000
    147       3.4970      0.00000
    148       3.5249      0.00000
    149       3.5862      0.00000
    150       3.5971      0.00000
    151       3.6357      0.00000
    152       3.7355      0.00000
    153       3.7386      0.00000
    154       3.7537      0.00000
    155       3.7706      0.00000
    156       3.8621      0.00000
    157       4.0171      0.00000
    158       4.0903      0.00000
    159       4.1685      0.00000
    160       4.2086      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4211      1.00000
      2     -21.5987      1.00000
      3     -21.4766      1.00000
      4     -21.4675      1.00000
      5     -21.4361      1.00000
      6     -21.4349      1.00000
      7     -21.4248      1.00000
      8     -19.7036      1.00000
      9     -19.6493      1.00000
     10     -19.6237      1.00000
     11     -19.6155      1.00000
     12     -19.6083      1.00000
     13     -19.6080      1.00000
     14     -18.7859      1.00000
     15     -18.7531      1.00000
     16     -18.7297      1.00000
     17     -18.7202      1.00000
     18     -18.7164      1.00000
     19     -18.7086      1.00000
     20     -16.6311      1.00000
     21     -16.6103      1.00000
     22     -16.5837      1.00000
     23     -16.5771      1.00000
     24     -16.5540      1.00000
     25     -16.5496      1.00000
     26     -15.6126      1.00000
     27     -15.5982      1.00000
     28     -15.5949      1.00000
     29     -15.5601      1.00000
     30     -15.5597      1.00000
     31     -15.5585      1.00000
     32     -14.2597      1.00000
     33     -14.2488      1.00000
     34     -14.2359      1.00000
     35     -14.2310      1.00000
     36     -14.2199      1.00000
     37     -14.2185      1.00000
     38     -11.9059      1.00000
     39     -11.8786      1.00000
     40     -11.8672      1.00000
     41     -11.8639      1.00000
     42     -11.8441      1.00000
     43     -11.8435      1.00000
     44     -11.7708      1.00000
     45     -11.7632      1.00000
     46     -11.7359      1.00000
     47     -11.7261      1.00000
     48     -11.7227      1.00000
     49     -11.7163      1.00000
     50     -10.6729      1.00000
     51     -10.3869      1.00000
     52     -10.3808      1.00000
     53     -10.3735      1.00000
     54     -10.3682      1.00000
     55     -10.3521      1.00000
     56     -10.3509      1.00000
     57      -9.9015      1.00000
     58      -9.4471      1.00000
     59      -9.4015      1.00000
     60      -9.3582      1.00000
     61      -9.3581      1.00000
     62      -9.3498      1.00000
     63      -9.1456      1.00000
     64      -9.1221      1.00000
     65      -9.1120      1.00000
     66      -9.0819      1.00000
     67      -9.0756      1.00000
     68      -9.0740      1.00000
     69      -9.0740      1.00000
     70      -9.0655      1.00000
     71      -9.0545      1.00000
     72      -9.0341      1.00000
     73      -9.0299      1.00000
     74      -9.0257      1.00000
     75      -8.1265      1.00000
     76      -7.7480      1.00000
     77      -7.4700      1.00000
     78      -7.4659      1.00000
     79      -7.4524      1.00000
     80      -7.4309      1.00000
     81      -7.4283      1.00000
     82      -7.4049      1.00000
     83      -7.3091      1.00000
     84      -7.2695      1.00000
     85      -7.2541      1.00000
     86      -7.2463      1.00000
     87      -7.1455      1.00000
     88      -7.0479      1.00000
     89      -6.4433      1.00000
     90      -6.4129      1.00000
     91      -6.3972      1.00000
     92      -6.3632      1.00000
     93      -6.3513      1.00000
     94      -6.3390      1.00000
     95      -5.9663      1.00000
     96      -5.9522      1.00000
     97      -4.8074      1.00000
     98      -4.5451      1.00000
     99      -4.4827      1.00000
    100      -4.4732      1.00000
    101      -4.3832      1.00000
    102      -4.3806      1.00000
    103      -4.2667      1.00000
    104      -4.1870      1.00000
    105      -3.7390      1.00000
    106      -3.4780      1.00000
    107      -1.8645      0.00000
    108      -1.6724      0.00000
    109      -1.6256      0.00000
    110      -1.5914      0.00000
    111      -1.5773      0.00000
    112      -1.5755      0.00000
    113      -0.4291      0.00000
    114       0.1414      0.00000
    115       0.1915      0.00000
    116       0.2551      0.00000
    117       0.2618      0.00000
    118       0.2705      0.00000
    119       0.4796      0.00000
    120       0.5576      0.00000
    121       1.2562      0.00000
    122       1.2954      0.00000
    123       1.5386      0.00000
    124       1.7668      0.00000
    125       1.7789      0.00000
    126       1.7797      0.00000
    127       1.7805      0.00000
    128       1.8296      0.00000
    129       1.9546      0.00000
    130       1.9678      0.00000
    131       1.9701      0.00000
    132       1.9854      0.00000
    133       1.9919      0.00000
    134       2.0883      0.00000
    135       2.2661      0.00000
    136       2.3391      0.00000
    137       2.6129      0.00000
    138       2.6188      0.00000
    139       2.6392      0.00000
    140       2.6990      0.00000
    141       2.9401      0.00000
    142       3.0228      0.00000
    143       3.0296      0.00000
    144       3.0302      0.00000
    145       3.0312      0.00000
    146       3.0406      0.00000
    147       3.1015      0.00000
    148       3.2730      0.00000
    149       3.4285      0.00000
    150       3.5048      0.00000
    151       3.8093      0.00000
    152       3.8998      0.00000
    153       3.9051      0.00000
    154       3.9136      0.00000
    155       3.9471      0.00000
    156       3.9975      0.00000
    157       4.1942      0.00000
    158       4.2665      0.00000
    159       4.2770      0.00000
    160       4.2871      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3845      1.00000
      2     -21.8255      1.00000
      3     -21.6335      1.00000
      4     -21.6056      1.00000
      5     -21.2702      1.00000
      6     -21.2304      1.00000
      7     -21.0517      1.00000
      8     -20.1633      1.00000
      9     -20.1247      1.00000
     10     -19.6057      1.00000
     11     -19.5944      1.00000
     12     -19.4122      1.00000
     13     -19.0854      1.00000
     14     -19.0583      1.00000
     15     -19.0443      1.00000
     16     -19.0371      1.00000
     17     -18.3582      1.00000
     18     -18.3491      1.00000
     19     -18.0142      1.00000
     20     -17.0654      1.00000
     21     -17.0264      1.00000
     22     -16.9420      1.00000
     23     -16.9379      1.00000
     24     -16.4663      1.00000
     25     -16.4644      1.00000
     26     -15.6130      1.00000
     27     -15.6042      1.00000
     28     -15.2506      1.00000
     29     -15.2390      1.00000
     30     -15.1800      1.00000
     31     -15.0943      1.00000
     32     -15.0669      1.00000
     33     -14.6994      1.00000
     34     -14.6930      1.00000
     35     -13.7281      1.00000
     36     -13.7200      1.00000
     37     -13.2313      1.00000
     38     -12.6123      1.00000
     39     -12.5821      1.00000
     40     -12.4520      1.00000
     41     -12.4437      1.00000
     42     -12.1099      1.00000
     43     -12.1025      1.00000
     44     -11.7178      1.00000
     45     -11.6868      1.00000
     46     -11.2371      1.00000
     47     -11.2248      1.00000
     48     -11.0164      1.00000
     49     -11.0028      1.00000
     50     -10.9258      1.00000
     51     -10.9044      1.00000
     52     -10.6278      1.00000
     53     -10.1533      1.00000
     54     -10.1466      1.00000
     55     -10.0882      1.00000
     56      -9.9953      1.00000
     57      -9.7024      1.00000
     58      -9.6895      1.00000
     59      -9.6528      1.00000
     60      -9.5889      1.00000
     61      -9.5815      1.00000
     62      -9.5559      1.00000
     63      -9.3077      1.00000
     64      -9.2946      1.00000
     65      -9.2718      1.00000
     66      -9.2390      1.00000
     67      -9.1330      1.00000
     68      -9.1150      1.00000
     69      -9.1044      1.00000
     70      -8.9357      1.00000
     71      -8.8753      1.00000
     72      -8.6079      1.00000
     73      -8.5912      1.00000
     74      -8.2337      1.00000
     75      -8.0974      1.00000
     76      -7.9117      1.00000
     77      -7.8670      1.00000
     78      -7.7702      1.00000
     79      -7.7533      1.00000
     80      -7.6881      1.00000
     81      -7.5607      1.00000
     82      -7.3378      1.00000
     83      -7.3196      1.00000
     84      -7.2020      1.00000
     85      -7.1218      1.00000
     86      -7.0287      1.00000
     87      -7.0161      1.00000
     88      -6.7017      1.00000
     89      -6.6761      1.00000
     90      -6.6380      1.00000
     91      -6.5962      1.00000
     92      -6.1137      1.00000
     93      -6.0622      1.00000
     94      -6.0327      1.00000
     95      -6.0115      1.00000
     96      -5.7808      1.00000
     97      -4.9742      1.00000
     98      -4.8330      1.00000
     99      -4.7463      1.00000
    100      -4.6778      1.00000
    101      -4.4690      1.00000
    102      -4.2033      1.00000
    103      -4.1738      1.00000
    104      -4.1278      1.00000
    105      -3.7294      1.00000
    106      -3.4883      1.00000
    107      -1.8720      0.00000
    108      -1.8102      0.00000
    109      -1.5261      0.00000
    110      -1.3801      0.00000
    111      -1.3223      0.00000
    112      -1.2887      0.00000
    113      -0.7201      0.00000
    114      -0.3766      0.00000
    115      -0.2544      0.00000
    116       0.0389      0.00000
    117       0.5638      0.00000
    118       0.6944      0.00000
    119       0.7467      0.00000
    120       1.0484      0.00000
    121       1.0973      0.00000
    122       1.1541      0.00000
    123       1.2286      0.00000
    124       1.3832      0.00000
    125       1.5294      0.00000
    126       1.5875      0.00000
    127       1.7167      0.00000
    128       1.7946      0.00000
    129       1.8520      0.00000
    130       1.8800      0.00000
    131       2.0976      0.00000
    132       2.1976      0.00000
    133       2.2441      0.00000
    134       2.3070      0.00000
    135       2.5152      0.00000
    136       2.5910      0.00000
    137       2.5956      0.00000
    138       2.7653      0.00000
    139       2.7831      0.00000
    140       2.8169      0.00000
    141       2.8190      0.00000
    142       2.8855      0.00000
    143       2.9350      0.00000
    144       3.0824      0.00000
    145       3.1565      0.00000
    146       3.2941      0.00000
    147       3.3395      0.00000
    148       3.3979      0.00000
    149       3.4485      0.00000
    150       3.5817      0.00000
    151       3.6244      0.00000
    152       3.6400      0.00000
    153       3.6951      0.00000
    154       3.8941      0.00000
    155       3.9512      0.00000
    156       4.0144      0.00000
    157       4.0613      0.00000
    158       4.2117      0.00000
    159       4.2340      0.00000
    160       4.2718      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2785      1.00000
      2     -22.0728      1.00000
      3     -21.7120      1.00000
      4     -21.6800      1.00000
      5     -20.9750      1.00000
      6     -20.9341      1.00000
      7     -20.6074      1.00000
      8     -20.5704      1.00000
      9     -20.5640      1.00000
     10     -20.0276      1.00000
     11     -19.5005      1.00000
     12     -19.4886      1.00000
     13     -19.3040      1.00000
     14     -19.2984      1.00000
     15     -18.4435      1.00000
     16     -18.4064      1.00000
     17     -17.9195      1.00000
     18     -17.9105      1.00000
     19     -17.7575      1.00000
     20     -17.7214      1.00000
     21     -17.4335      1.00000
     22     -17.4261      1.00000
     23     -17.3363      1.00000
     24     -16.4623      1.00000
     25     -16.4619      1.00000
     26     -15.9618      1.00000
     27     -15.4142      1.00000
     28     -15.4058      1.00000
     29     -15.0972      1.00000
     30     -15.0897      1.00000
     31     -14.8527      1.00000
     32     -14.8440      1.00000
     33     -14.2870      1.00000
     34     -14.2538      1.00000
     35     -13.4339      1.00000
     36     -13.4012      1.00000
     37     -13.1790      1.00000
     38     -13.1704      1.00000
     39     -12.9775      1.00000
     40     -12.9711      1.00000
     41     -12.6145      1.00000
     42     -12.6064      1.00000
     43     -12.1935      1.00000
     44     -11.5769      1.00000
     45     -11.5431      1.00000
     46     -11.3105      1.00000
     47     -11.2879      1.00000
     48     -11.1380      1.00000
     49     -10.6791      1.00000
     50     -10.6594      1.00000
     51     -10.5509      1.00000
     52     -10.3210      1.00000
     53     -10.3118      1.00000
     54     -10.1657      1.00000
     55     -10.1183      1.00000
     56     -10.1117      1.00000
     57      -9.7957      1.00000
     58      -9.7561      1.00000
     59      -9.7527      1.00000
     60      -9.7023      1.00000
     61      -9.6872      1.00000
     62      -9.6583      1.00000
     63      -9.3550      1.00000
     64      -9.3447      1.00000
     65      -9.3183      1.00000
     66      -9.0392      1.00000
     67      -8.9554      1.00000
     68      -8.9496      1.00000
     69      -8.7963      1.00000
     70      -8.5972      1.00000
     71      -8.5556      1.00000
     72      -8.3956      1.00000
     73      -8.3611      1.00000
     74      -8.3249      1.00000
     75      -8.3048      1.00000
     76      -8.2617      1.00000
     77      -8.2553      1.00000
     78      -8.2390      1.00000
     79      -7.9009      1.00000
     80      -7.6489      1.00000
     81      -7.5486      1.00000
     82      -7.3846      1.00000
     83      -7.3470      1.00000
     84      -7.2279      1.00000
     85      -7.0937      1.00000
     86      -7.0374      1.00000
     87      -6.9312      1.00000
     88      -6.8470      1.00000
     89      -6.6167      1.00000
     90      -6.5560      1.00000
     91      -6.2739      1.00000
     92      -6.0415      1.00000
     93      -5.9494      1.00000
     94      -5.6602      1.00000
     95      -5.6234      1.00000
     96      -5.4619      1.00000
     97      -5.3174      1.00000
     98      -5.2777      1.00000
     99      -5.2109      1.00000
    100      -5.1950      1.00000
    101      -4.5092      1.00000
    102      -4.2076      1.00000
    103      -4.0607      1.00000
    104      -3.9901      1.00000
    105      -3.6942      1.00000
    106      -3.4987      1.00000
    107      -1.9475      0.00000
    108      -1.8969      0.00000
    109      -1.3405      0.00000
    110      -1.0857      0.00000
    111      -1.0612      0.00000
    112      -0.8016      0.00000
    113      -0.6818      0.00000
    114      -0.6476      0.00000
    115      -0.6087      0.00000
    116      -0.1075      0.00000
    117       0.2136      0.00000
    118       0.3299      0.00000
    119       0.7027      0.00000
    120       0.8972      0.00000
    121       1.1251      0.00000
    122       1.1977      0.00000
    123       1.3321      0.00000
    124       1.4284      0.00000
    125       1.5515      0.00000
    126       1.5753      0.00000
    127       1.6841      0.00000
    128       1.8105      0.00000
    129       1.8811      0.00000
    130       2.0475      0.00000
    131       2.0902      0.00000
    132       2.3003      0.00000
    133       2.3520      0.00000
    134       2.4039      0.00000
    135       2.5564      0.00000
    136       2.6305      0.00000
    137       2.7141      0.00000
    138       2.7309      0.00000
    139       2.7844      0.00000
    140       2.8681      0.00000
    141       3.0243      0.00000
    142       3.0595      0.00000
    143       3.1709      0.00000
    144       3.2598      0.00000
    145       3.3589      0.00000
    146       3.4064      0.00000
    147       3.4281      0.00000
    148       3.5477      0.00000
    149       3.5676      0.00000
    150       3.5883      0.00000
    151       3.6539      0.00000
    152       3.6725      0.00000
    153       3.7551      0.00000
    154       3.7638      0.00000
    155       3.7956      0.00000
    156       3.8819      0.00000
    157       3.9186      0.00000
    158       3.9923      0.00000
    159       4.2094      0.00000
    160       4.2194      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3124      1.00000
      2     -21.9580      1.00000
      3     -21.8884      1.00000
      4     -21.3768      1.00000
      5     -21.3474      1.00000
      6     -20.8346      1.00000
      7     -20.7689      1.00000
      8     -20.6184      1.00000
      9     -20.0747      1.00000
     10     -20.0691      1.00000
     11     -19.7123      1.00000
     12     -19.6876      1.00000
     13     -18.9933      1.00000
     14     -18.9875      1.00000
     15     -18.6398      1.00000
     16     -18.6237      1.00000
     17     -18.4559      1.00000
     18     -17.6702      1.00000
     19     -17.6198      1.00000
     20     -17.6165      1.00000
     21     -17.5740      1.00000
     22     -17.1254      1.00000
     23     -17.1034      1.00000
     24     -16.9648      1.00000
     25     -16.0040      1.00000
     26     -15.9276      1.00000
     27     -15.5813      1.00000
     28     -15.5810      1.00000
     29     -15.2842      1.00000
     30     -14.8621      1.00000
     31     -14.8345      1.00000
     32     -14.5738      1.00000
     33     -14.5317      1.00000
     34     -14.1709      1.00000
     35     -14.1572      1.00000
     36     -13.1483      1.00000
     37     -13.0935      1.00000
     38     -13.0238      1.00000
     39     -13.0140      1.00000
     40     -12.7042      1.00000
     41     -12.7001      1.00000
     42     -12.3409      1.00000
     43     -12.3094      1.00000
     44     -11.6398      1.00000
     45     -11.6265      1.00000
     46     -11.5710      1.00000
     47     -10.9506      1.00000
     48     -10.9173      1.00000
     49     -10.6297      1.00000
     50     -10.6213      1.00000
     51     -10.5442      1.00000
     52     -10.5016      1.00000
     53     -10.5011      1.00000
     54     -10.4380      1.00000
     55     -10.3503      1.00000
     56     -10.0958      1.00000
     57      -9.8992      1.00000
     58      -9.5987      1.00000
     59      -9.5459      1.00000
     60      -9.4520      1.00000
     61      -9.4145      1.00000
     62      -9.4042      1.00000
     63      -9.3705      1.00000
     64      -9.3691      1.00000
     65      -9.2844      1.00000
     66      -9.1735      1.00000
     67      -9.1487      1.00000
     68      -9.1162      1.00000
     69      -8.8680      1.00000
     70      -8.8609      1.00000
     71      -8.8124      1.00000
     72      -8.5928      1.00000
     73      -8.4761      1.00000
     74      -8.2014      1.00000
     75      -8.1662      1.00000
     76      -8.0055      1.00000
     77      -7.9643      1.00000
     78      -7.8443      1.00000
     79      -7.8337      1.00000
     80      -7.7028      1.00000
     81      -7.6946      1.00000
     82      -7.6189      1.00000
     83      -7.4472      1.00000
     84      -7.2961      1.00000
     85      -7.2521      1.00000
     86      -6.9085      1.00000
     87      -6.8956      1.00000
     88      -6.5866      1.00000
     89      -6.5495      1.00000
     90      -6.4008      1.00000
     91      -6.2536      1.00000
     92      -6.2328      1.00000
     93      -6.2124      1.00000
     94      -6.0195      1.00000
     95      -5.5478      1.00000
     96      -5.4865      1.00000
     97      -5.3479      1.00000
     98      -5.2165      1.00000
     99      -4.9813      1.00000
    100      -4.7328      1.00000
    101      -4.6783      1.00000
    102      -4.3875      1.00000
    103      -4.2029      1.00000
    104      -3.8723      1.00000
    105      -3.5476      1.00000
    106      -3.5108      1.00000
    107      -2.2564      0.00000
    108      -1.4593      0.00000
    109      -1.3742      0.00000
    110      -1.2430      0.00000
    111      -1.0986      0.00000
    112      -0.9447      0.00000
    113      -0.8642      0.00000
    114      -0.8044      0.00000
    115      -0.1390      0.00000
    116       0.1061      0.00000
    117       0.2358      0.00000
    118       0.3770      0.00000
    119       0.6606      0.00000
    120       0.8361      0.00000
    121       0.9355      0.00000
    122       1.0729      0.00000
    123       1.2405      0.00000
    124       1.4542      0.00000
    125       1.5563      0.00000
    126       1.7650      0.00000
    127       1.7899      0.00000
    128       1.8619      0.00000
    129       1.9787      0.00000
    130       2.0373      0.00000
    131       2.1802      0.00000
    132       2.1805      0.00000
    133       2.4047      0.00000
    134       2.4168      0.00000
    135       2.5044      0.00000
    136       2.5977      0.00000
    137       2.6304      0.00000
    138       2.7039      0.00000
    139       2.7558      0.00000
    140       2.8455      0.00000
    141       2.9534      0.00000
    142       3.0684      0.00000
    143       3.1696      0.00000
    144       3.1986      0.00000
    145       3.2288      0.00000
    146       3.2815      0.00000
    147       3.3134      0.00000
    148       3.4564      0.00000
    149       3.5049      0.00000
    150       3.6930      0.00000
    151       3.7187      0.00000
    152       3.7201      0.00000
    153       3.8605      0.00000
    154       3.8988      0.00000
    155       3.9327      0.00000
    156       3.9657      0.00000
    157       4.0203      0.00000
    158       4.0404      0.00000
    159       4.0550      0.00000
    160       4.1824      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2056      1.00000
      2     -22.1123      1.00000
      3     -21.9519      1.00000
      4     -21.4000      1.00000
      5     -21.0452      1.00000
      6     -21.0090      1.00000
      7     -20.4965      1.00000
      8     -20.4569      1.00000
      9     -20.2900      1.00000
     10     -20.2706      1.00000
     11     -19.9542      1.00000
     12     -19.8884      1.00000
     13     -18.8802      1.00000
     14     -18.8113      1.00000
     15     -18.3488      1.00000
     16     -18.3021      1.00000
     17     -18.1501      1.00000
     18     -18.1326      1.00000
     19     -17.8229      1.00000
     20     -17.7851      1.00000
     21     -17.2490      1.00000
     22     -17.2419      1.00000
     23     -17.1605      1.00000
     24     -17.1320      1.00000
     25     -16.1049      1.00000
     26     -15.8837      1.00000
     27     -15.8672      1.00000
     28     -15.8343      1.00000
     29     -15.2337      1.00000
     30     -14.5550      1.00000
     31     -14.5263      1.00000
     32     -14.2781      1.00000
     33     -13.9604      1.00000
     34     -13.9523      1.00000
     35     -13.8182      1.00000
     36     -13.8032      1.00000
     37     -13.6135      1.00000
     38     -13.5690      1.00000
     39     -13.3648      1.00000
     40     -12.6299      1.00000
     41     -12.1813      1.00000
     42     -12.1321      1.00000
     43     -12.0706      1.00000
     44     -12.0183      1.00000
     45     -11.6657      1.00000
     46     -11.6522      1.00000
     47     -11.1411      1.00000
     48     -11.1187      1.00000
     49     -10.7963      1.00000
     50     -10.7327      1.00000
     51     -10.5265      1.00000
     52     -10.2074      1.00000
     53     -10.1990      1.00000
     54     -10.1602      1.00000
     55     -10.0160      1.00000
     56      -9.9991      1.00000
     57      -9.9873      1.00000
     58      -9.8032      1.00000
     59      -9.7883      1.00000
     60      -9.7644      1.00000
     61      -9.7564      1.00000
     62      -9.4573      1.00000
     63      -9.4149      1.00000
     64      -9.0800      1.00000
     65      -9.0680      1.00000
     66      -9.0381      1.00000
     67      -8.9567      1.00000
     68      -8.8737      1.00000
     69      -8.7111      1.00000
     70      -8.6945      1.00000
     71      -8.5684      1.00000
     72      -8.5461      1.00000
     73      -8.4983      1.00000
     74      -8.4581      1.00000
     75      -8.4543      1.00000
     76      -8.2579      1.00000
     77      -8.1219      1.00000
     78      -8.0401      1.00000
     79      -7.9135      1.00000
     80      -7.8611      1.00000
     81      -7.6134      1.00000
     82      -7.5494      1.00000
     83      -7.4872      1.00000
     84      -7.2677      1.00000
     85      -6.9933      1.00000
     86      -6.9214      1.00000
     87      -6.8797      1.00000
     88      -6.5356      1.00000
     89      -6.4903      1.00000
     90      -6.4598      1.00000
     91      -6.4094      1.00000
     92      -5.9817      1.00000
     93      -5.8954      1.00000
     94      -5.7813      1.00000
     95      -5.7599      1.00000
     96      -5.4305      1.00000
     97      -5.3282      1.00000
     98      -5.2281      1.00000
     99      -5.2152      1.00000
    100      -5.1899      1.00000
    101      -4.6929      1.00000
    102      -4.4218      1.00000
    103      -4.2094      1.00000
    104      -3.8349      1.00000
    105      -3.5301      1.00000
    106      -3.2751      1.00000
    107      -2.5311      0.00000
    108      -1.4599      0.00000
    109      -1.2685      0.00000
    110      -1.2038      0.00000
    111      -1.1742      0.00000
    112      -0.7216      0.00000
    113      -0.5055      0.00000
    114      -0.4142      0.00000
    115      -0.3430      0.00000
    116      -0.1469      0.00000
    117      -0.0041      0.00000
    118       0.1955      0.00000
    119       0.5592      0.00000
    120       0.6111      0.00000
    121       0.8030      0.00000
    122       0.9190      0.00000
    123       1.1413      0.00000
    124       1.5008      0.00000
    125       1.6429      0.00000
    126       1.8609      0.00000
    127       1.9323      0.00000
    128       2.0847      0.00000
    129       2.1088      0.00000
    130       2.1257      0.00000
    131       2.1677      0.00000
    132       2.2758      0.00000
    133       2.3071      0.00000
    134       2.4627      0.00000
    135       2.5761      0.00000
    136       2.6601      0.00000
    137       2.8557      0.00000
    138       2.8688      0.00000
    139       2.8973      0.00000
    140       2.9724      0.00000
    141       3.0133      0.00000
    142       3.1420      0.00000
    143       3.1457      0.00000
    144       3.2117      0.00000
    145       3.2703      0.00000
    146       3.2831      0.00000
    147       3.3015      0.00000
    148       3.3496      0.00000
    149       3.4199      0.00000
    150       3.4380      0.00000
    151       3.5475      0.00000
    152       3.6072      0.00000
    153       3.6639      0.00000
    154       3.7003      0.00000
    155       3.7825      0.00000
    156       3.8979      0.00000
    157       3.9183      0.00000
    158       4.0052      0.00000
    159       4.1355      0.00000
    160       4.2314      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3123      1.00000
      2     -21.9594      1.00000
      3     -21.8871      1.00000
      4     -21.3797      1.00000
      5     -21.3431      1.00000
      6     -20.8354      1.00000
      7     -20.7689      1.00000
      8     -20.6212      1.00000
      9     -20.0849      1.00000
     10     -20.0559      1.00000
     11     -19.7148      1.00000
     12     -19.6858      1.00000
     13     -19.0061      1.00000
     14     -18.9747      1.00000
     15     -18.6451      1.00000
     16     -18.6122      1.00000
     17     -18.4587      1.00000
     18     -17.6581      1.00000
     19     -17.6467      1.00000
     20     -17.6088      1.00000
     21     -17.5766      1.00000
     22     -17.1342      1.00000
     23     -17.0940      1.00000
     24     -16.9616      1.00000
     25     -16.0047      1.00000
     26     -15.9182      1.00000
     27     -15.5970      1.00000
     28     -15.5721      1.00000
     29     -15.2779      1.00000
     30     -14.8746      1.00000
     31     -14.8266      1.00000
     32     -14.5746      1.00000
     33     -14.5369      1.00000
     34     -14.1592      1.00000
     35     -14.1555      1.00000
     36     -13.1610      1.00000
     37     -13.0940      1.00000
     38     -13.0244      1.00000
     39     -13.0178      1.00000
     40     -12.7187      1.00000
     41     -12.6941      1.00000
     42     -12.3368      1.00000
     43     -12.3083      1.00000
     44     -11.6279      1.00000
     45     -11.6191      1.00000
     46     -11.5662      1.00000
     47     -10.9386      1.00000
     48     -10.9176      1.00000
     49     -10.6694      1.00000
     50     -10.5913      1.00000
     51     -10.5706      1.00000
     52     -10.4949      1.00000
     53     -10.4863      1.00000
     54     -10.4393      1.00000
     55     -10.3584      1.00000
     56     -10.1001      1.00000
     57      -9.8936      1.00000
     58      -9.6114      1.00000
     59      -9.5543      1.00000
     60      -9.4526      1.00000
     61      -9.4135      1.00000
     62      -9.4062      1.00000
     63      -9.3813      1.00000
     64      -9.3731      1.00000
     65      -9.2636      1.00000
     66      -9.1624      1.00000
     67      -9.1383      1.00000
     68      -9.1129      1.00000
     69      -8.8665      1.00000
     70      -8.8519      1.00000
     71      -8.7998      1.00000
     72      -8.5937      1.00000
     73      -8.5243      1.00000
     74      -8.1919      1.00000
     75      -8.1664      1.00000
     76      -8.0730      1.00000
     77      -7.8595      1.00000
     78      -7.8385      1.00000
     79      -7.8237      1.00000
     80      -7.7127      1.00000
     81      -7.6963      1.00000
     82      -7.5934      1.00000
     83      -7.5296      1.00000
     84      -7.3468      1.00000
     85      -7.1664      1.00000
     86      -6.9060      1.00000
     87      -6.8927      1.00000
     88      -6.5885      1.00000
     89      -6.5505      1.00000
     90      -6.4102      1.00000
     91      -6.2993      1.00000
     92      -6.2446      1.00000
     93      -6.1983      1.00000
     94      -6.0034      1.00000
     95      -5.5303      1.00000
     96      -5.4664      1.00000
     97      -5.3137      1.00000
     98      -5.2096      1.00000
     99      -5.0457      1.00000
    100      -4.7218      1.00000
    101      -4.6722      1.00000
    102      -4.4241      1.00000
    103      -4.1943      1.00000
    104      -3.8435      1.00000
    105      -3.6345      1.00000
    106      -3.4158      1.00000
    107      -2.2941      0.00000
    108      -1.5114      0.00000
    109      -1.2718      0.00000
    110      -1.2635      0.00000
    111      -1.0349      0.00000
    112      -0.9817      0.00000
    113      -0.8698      0.00000
    114      -0.8018      0.00000
    115      -0.2610      0.00000
    116       0.2037      0.00000
    117       0.2380      0.00000
    118       0.3611      0.00000
    119       0.6993      0.00000
    120       0.8905      0.00000
    121       0.9230      0.00000
    122       1.0484      0.00000
    123       1.1753      0.00000
    124       1.5151      0.00000
    125       1.5664      0.00000
    126       1.7112      0.00000
    127       1.7748      0.00000
    128       1.8263      0.00000
    129       1.9489      0.00000
    130       1.9910      0.00000
    131       2.1704      0.00000
    132       2.2699      0.00000
    133       2.3984      0.00000
    134       2.4235      0.00000
    135       2.5090      0.00000
    136       2.5983      0.00000
    137       2.6156      0.00000
    138       2.7057      0.00000
    139       2.7367      0.00000
    140       2.8744      0.00000
    141       3.0417      0.00000
    142       3.0672      0.00000
    143       3.1676      0.00000
    144       3.2166      0.00000
    145       3.2246      0.00000
    146       3.2825      0.00000
    147       3.3187      0.00000
    148       3.4480      0.00000
    149       3.5236      0.00000
    150       3.6962      0.00000
    151       3.7130      0.00000
    152       3.7333      0.00000
    153       3.8308      0.00000
    154       3.8732      0.00000
    155       3.9217      0.00000
    156       3.9660      0.00000
    157       3.9787      0.00000
    158       4.0179      0.00000
    159       4.0340      0.00000
    160       4.0922      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3844      1.00000
      2     -21.8262      1.00000
      3     -21.6361      1.00000
      4     -21.6013      1.00000
      5     -21.2737      1.00000
      6     -21.2270      1.00000
      7     -21.0526      1.00000
      8     -20.1677      1.00000
      9     -20.1219      1.00000
     10     -19.6113      1.00000
     11     -19.5845      1.00000
     12     -19.4138      1.00000
     13     -19.0915      1.00000
     14     -19.0515      1.00000
     15     -19.0470      1.00000
     16     -19.0356      1.00000
     17     -18.3626      1.00000
     18     -18.3424      1.00000
     19     -18.0169      1.00000
     20     -17.0726      1.00000
     21     -17.0244      1.00000
     22     -16.9472      1.00000
     23     -16.9328      1.00000
     24     -16.4691      1.00000
     25     -16.4572      1.00000
     26     -15.6036      1.00000
     27     -15.6031      1.00000
     28     -15.2487      1.00000
     29     -15.2362      1.00000
     30     -15.1925      1.00000
     31     -15.1012      1.00000
     32     -15.0683      1.00000
     33     -14.6931      1.00000
     34     -14.6919      1.00000
     35     -13.7210      1.00000
     36     -13.7208      1.00000
     37     -13.2387      1.00000
     38     -12.6254      1.00000
     39     -12.5811      1.00000
     40     -12.4541      1.00000
     41     -12.4485      1.00000
     42     -12.1038      1.00000
     43     -12.0985      1.00000
     44     -11.7124      1.00000
     45     -11.6736      1.00000
     46     -11.2434      1.00000
     47     -11.2220      1.00000
     48     -11.0193      1.00000
     49     -11.0075      1.00000
     50     -10.9216      1.00000
     51     -10.8927      1.00000
     52     -10.6340      1.00000
     53     -10.1728      1.00000
     54     -10.1496      1.00000
     55     -10.0900      1.00000
     56      -9.9896      1.00000
     57      -9.6964      1.00000
     58      -9.6890      1.00000
     59      -9.6668      1.00000
     60      -9.5873      1.00000
     61      -9.5636      1.00000
     62      -9.5495      1.00000
     63      -9.3147      1.00000
     64      -9.3034      1.00000
     65      -9.2810      1.00000
     66      -9.2321      1.00000
     67      -9.1201      1.00000
     68      -9.1152      1.00000
     69      -9.1119      1.00000
     70      -8.9366      1.00000
     71      -8.8648      1.00000
     72      -8.6012      1.00000
     73      -8.5829      1.00000
     74      -8.2690      1.00000
     75      -8.1086      1.00000
     76      -7.8592      1.00000
     77      -7.8413      1.00000
     78      -7.7899      1.00000
     79      -7.7670      1.00000
     80      -7.7590      1.00000
     81      -7.4477      1.00000
     82      -7.3383      1.00000
     83      -7.3268      1.00000
     84      -7.2619      1.00000
     85      -7.1576      1.00000
     86      -7.0071      1.00000
     87      -6.9854      1.00000
     88      -6.7142      1.00000
     89      -6.6868      1.00000
     90      -6.6309      1.00000
     91      -6.5889      1.00000
     92      -6.1253      1.00000
     93      -6.0551      1.00000
     94      -6.0425      1.00000
     95      -6.0236      1.00000
     96      -5.7489      1.00000
     97      -4.9750      1.00000
     98      -4.8389      1.00000
     99      -4.7098      1.00000
    100      -4.6748      1.00000
    101      -4.4837      1.00000
    102      -4.3519      1.00000
    103      -4.1103      1.00000
    104      -4.0548      1.00000
    105      -3.7547      1.00000
    106      -3.4656      1.00000
    107      -1.9536      0.00000
    108      -1.7722      0.00000
    109      -1.4808      0.00000
    110      -1.3557      0.00000
    111      -1.3377      0.00000
    112      -1.2950      0.00000
    113      -0.6829      0.00000
    114      -0.4727      0.00000
    115      -0.2355      0.00000
    116       0.0539      0.00000
    117       0.5975      0.00000
    118       0.6913      0.00000
    119       0.7702      0.00000
    120       1.0212      0.00000
    121       1.0928      0.00000
    122       1.1760      0.00000
    123       1.2555      0.00000
    124       1.3374      0.00000
    125       1.4403      0.00000
    126       1.6019      0.00000
    127       1.7471      0.00000
    128       1.8440      0.00000
    129       1.8538      0.00000
    130       1.8911      0.00000
    131       2.0402      0.00000
    132       2.2197      0.00000
    133       2.2461      0.00000
    134       2.2863      0.00000
    135       2.4788      0.00000
    136       2.5865      0.00000
    137       2.6317      0.00000
    138       2.7575      0.00000
    139       2.7609      0.00000
    140       2.8256      0.00000
    141       2.8337      0.00000
    142       2.8417      0.00000
    143       2.9330      0.00000
    144       3.0859      0.00000
    145       3.2965      0.00000
    146       3.3341      0.00000
    147       3.3752      0.00000
    148       3.3962      0.00000
    149       3.4084      0.00000
    150       3.5535      0.00000
    151       3.6056      0.00000
    152       3.6571      0.00000
    153       3.7234      0.00000
    154       3.8917      0.00000
    155       3.9230      0.00000
    156       3.9355      0.00000
    157       4.1020      0.00000
    158       4.1913      0.00000
    159       4.2296      0.00000
    160       4.3896      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2050      1.00000
      2     -22.1137      1.00000
      3     -21.9512      1.00000
      4     -21.3991      1.00000
      5     -21.0418      1.00000
      6     -21.0134      1.00000
      7     -20.4916      1.00000
      8     -20.4616      1.00000
      9     -20.2832      1.00000
     10     -20.2813      1.00000
     11     -19.9512      1.00000
     12     -19.8877      1.00000
     13     -18.8777      1.00000
     14     -18.8096      1.00000
     15     -18.3368      1.00000
     16     -18.3174      1.00000
     17     -18.1457      1.00000
     18     -18.1381      1.00000
     19     -17.8147      1.00000
     20     -17.7964      1.00000
     21     -17.2542      1.00000
     22     -17.2347      1.00000
     23     -17.1631      1.00000
     24     -17.1290      1.00000
     25     -16.1145      1.00000
     26     -15.8748      1.00000
     27     -15.8637      1.00000
     28     -15.8346      1.00000
     29     -15.2325      1.00000
     30     -14.5449      1.00000
     31     -14.5264      1.00000
     32     -14.2765      1.00000
     33     -13.9769      1.00000
     34     -13.9530      1.00000
     35     -13.8248      1.00000
     36     -13.8024      1.00000
     37     -13.6016      1.00000
     38     -13.5760      1.00000
     39     -13.3664      1.00000
     40     -12.6365      1.00000
     41     -12.1659      1.00000
     42     -12.1393      1.00000
     43     -12.0616      1.00000
     44     -12.0142      1.00000
     45     -11.6698      1.00000
     46     -11.6651      1.00000
     47     -11.1321      1.00000
     48     -11.1209      1.00000
     49     -10.7813      1.00000
     50     -10.7246      1.00000
     51     -10.5334      1.00000
     52     -10.2111      1.00000
     53     -10.2050      1.00000
     54     -10.1661      1.00000
     55     -10.0235      1.00000
     56      -9.9915      1.00000
     57      -9.9905      1.00000
     58      -9.8073      1.00000
     59      -9.7988      1.00000
     60      -9.7638      1.00000
     61      -9.7554      1.00000
     62      -9.4436      1.00000
     63      -9.4134      1.00000
     64      -9.0859      1.00000
     65      -9.0478      1.00000
     66      -9.0231      1.00000
     67      -8.9669      1.00000
     68      -8.8947      1.00000
     69      -8.7118      1.00000
     70      -8.7026      1.00000
     71      -8.5511      1.00000
     72      -8.5407      1.00000
     73      -8.4756      1.00000
     74      -8.4589      1.00000
     75      -8.4559      1.00000
     76      -8.3065      1.00000
     77      -8.0933      1.00000
     78      -8.0866      1.00000
     79      -7.9288      1.00000
     80      -7.8291      1.00000
     81      -7.5970      1.00000
     82      -7.5327      1.00000
     83      -7.4378      1.00000
     84      -7.3153      1.00000
     85      -7.0003      1.00000
     86      -6.9249      1.00000
     87      -6.8873      1.00000
     88      -6.5230      1.00000
     89      -6.5105      1.00000
     90      -6.4756      1.00000
     91      -6.4166      1.00000
     92      -5.9268      1.00000
     93      -5.9054      1.00000
     94      -5.7876      1.00000
     95      -5.7733      1.00000
     96      -5.3698      1.00000
     97      -5.3628      1.00000
     98      -5.2220      1.00000
     99      -5.2141      1.00000
    100      -5.1969      1.00000
    101      -4.7185      1.00000
    102      -4.4425      1.00000
    103      -4.1904      1.00000
    104      -3.8211      1.00000
    105      -3.5663      1.00000
    106      -3.2196      1.00000
    107      -2.5651      0.00000
    108      -1.4655      0.00000
    109      -1.2712      0.00000
    110      -1.1863      0.00000
    111      -1.1832      0.00000
    112      -0.6465      0.00000
    113      -0.5539      0.00000
    114      -0.4162      0.00000
    115      -0.3474      0.00000
    116      -0.0796      0.00000
    117      -0.0676      0.00000
    118       0.1260      0.00000
    119       0.5914      0.00000
    120       0.6266      0.00000
    121       0.8655      0.00000
    122       0.9933      0.00000
    123       1.0135      0.00000
    124       1.5011      0.00000
    125       1.6923      0.00000
    126       1.7706      0.00000
    127       1.8691      0.00000
    128       2.0901      0.00000
    129       2.1180      0.00000
    130       2.1746      0.00000
    131       2.2079      0.00000
    132       2.2437      0.00000
    133       2.3260      0.00000
    134       2.4982      0.00000
    135       2.5004      0.00000
    136       2.6704      0.00000
    137       2.8442      0.00000
    138       2.8535      0.00000
    139       2.9532      0.00000
    140       2.9636      0.00000
    141       3.0245      0.00000
    142       3.1412      0.00000
    143       3.1569      0.00000
    144       3.2263      0.00000
    145       3.2459      0.00000
    146       3.2789      0.00000
    147       3.3035      0.00000
    148       3.3592      0.00000
    149       3.4109      0.00000
    150       3.5425      0.00000
    151       3.5651      0.00000
    152       3.6451      0.00000
    153       3.6479      0.00000
    154       3.6701      0.00000
    155       3.6934      0.00000
    156       3.9035      0.00000
    157       3.9381      0.00000
    158       4.0376      0.00000
    159       4.0786      0.00000
    160       4.1838      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2783      1.00000
      2     -22.0737      1.00000
      3     -21.7147      1.00000
      4     -21.6758      1.00000
      5     -20.9781      1.00000
      6     -20.9306      1.00000
      7     -20.6071      1.00000
      8     -20.5759      1.00000
      9     -20.5616      1.00000
     10     -20.0297      1.00000
     11     -19.5079      1.00000
     12     -19.4772      1.00000
     13     -19.3058      1.00000
     14     -19.2924      1.00000
     15     -18.4479      1.00000
     16     -18.4052      1.00000
     17     -17.9239      1.00000
     18     -17.9031      1.00000
     19     -17.7652      1.00000
     20     -17.7206      1.00000
     21     -17.4385      1.00000
     22     -17.4196      1.00000
     23     -17.3404      1.00000
     24     -16.4645      1.00000
     25     -16.4544      1.00000
     26     -15.9693      1.00000
     27     -15.4049      1.00000
     28     -15.4038      1.00000
     29     -15.0901      1.00000
     30     -15.0871      1.00000
     31     -14.8540      1.00000
     32     -14.8414      1.00000
     33     -14.2988      1.00000
     34     -14.2552      1.00000
     35     -13.4458      1.00000
     36     -13.4020      1.00000
     37     -13.1720      1.00000
     38     -13.1704      1.00000
     39     -12.9832      1.00000
     40     -12.9741      1.00000
     41     -12.6085      1.00000
     42     -12.6061      1.00000
     43     -12.2012      1.00000
     44     -11.5708      1.00000
     45     -11.5294      1.00000
     46     -11.3053      1.00000
     47     -11.2750      1.00000
     48     -11.1475      1.00000
     49     -10.6899      1.00000
     50     -10.6593      1.00000
     51     -10.5441      1.00000
     52     -10.3247      1.00000
     53     -10.3170      1.00000
     54     -10.1716      1.00000
     55     -10.1172      1.00000
     56     -10.1042      1.00000
     57      -9.8090      1.00000
     58      -9.7542      1.00000
     59      -9.7528      1.00000
     60      -9.7042      1.00000
     61      -9.7003      1.00000
     62      -9.6424      1.00000
     63      -9.3545      1.00000
     64      -9.3532      1.00000
     65      -9.3068      1.00000
     66      -9.0251      1.00000
     67      -8.9638      1.00000
     68      -8.9593      1.00000
     69      -8.7720      1.00000
     70      -8.5860      1.00000
     71      -8.5817      1.00000
     72      -8.4218      1.00000
     73      -8.3468      1.00000
     74      -8.3219      1.00000
     75      -8.3046      1.00000
     76      -8.2642      1.00000
     77      -8.2513      1.00000
     78      -8.2314      1.00000
     79      -7.9186      1.00000
     80      -7.7319      1.00000
     81      -7.3834      1.00000
     82      -7.3538      1.00000
     83      -7.3254      1.00000
     84      -7.2237      1.00000
     85      -7.1562      1.00000
     86      -7.0605      1.00000
     87      -6.9568      1.00000
     88      -6.9008      1.00000
     89      -6.6063      1.00000
     90      -6.5645      1.00000
     91      -6.2644      1.00000
     92      -5.9960      1.00000
     93      -5.9596      1.00000
     94      -5.6735      1.00000
     95      -5.6467      1.00000
     96      -5.3876      1.00000
     97      -5.3164      1.00000
     98      -5.2943      1.00000
     99      -5.2110      1.00000
    100      -5.1992      1.00000
    101      -4.5122      1.00000
    102      -4.3386      1.00000
    103      -3.9949      1.00000
    104      -3.8848      1.00000
    105      -3.7926      1.00000
    106      -3.4431      1.00000
    107      -2.0381      0.00000
    108      -1.8650      0.00000
    109      -1.2185      0.00000
    110      -1.1884      0.00000
    111      -1.0354      0.00000
    112      -0.7725      0.00000
    113      -0.6798      0.00000
    114      -0.6597      0.00000
    115      -0.6130      0.00000
    116      -0.1009      0.00000
    117       0.2185      0.00000
    118       0.2392      0.00000
    119       0.7799      0.00000
    120       0.9916      0.00000
    121       1.0759      0.00000
    122       1.2423      0.00000
    123       1.2529      0.00000
    124       1.3497      0.00000
    125       1.5780      0.00000
    126       1.5829      0.00000
    127       1.7057      0.00000
    128       1.7995      0.00000
    129       1.9577      0.00000
    130       1.9655      0.00000
    131       2.0421      0.00000
    132       2.2543      0.00000
    133       2.3331      0.00000
    134       2.4245      0.00000
    135       2.5459      0.00000
    136       2.6288      0.00000
    137       2.7224      0.00000
    138       2.7903      0.00000
    139       2.8488      0.00000
    140       2.8532      0.00000
    141       3.0219      0.00000
    142       3.1074      0.00000
    143       3.1603      0.00000
    144       3.2132      0.00000
    145       3.3644      0.00000
    146       3.4040      0.00000
    147       3.4970      0.00000
    148       3.5249      0.00000
    149       3.5862      0.00000
    150       3.5971      0.00000
    151       3.6357      0.00000
    152       3.7355      0.00000
    153       3.7386      0.00000
    154       3.7536      0.00000
    155       3.7706      0.00000
    156       3.8621      0.00000
    157       4.0171      0.00000
    158       4.0903      0.00000
    159       4.1685      0.00000
    160       4.2084      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0453   -7.3895    4.1986   -1.2762   -0.2388   17.6028    0.1479   -0.5327    0.6341   -0.4649
x    -3.0904   -0.0374   -0.0632    0.0617   -0.0090   -2.9781   -0.0112   -0.0070    0.0049    0.0016
x    -0.0969    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0453    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0937   -0.0088    0.0376    0.0376
y    -0.0455   -3.2456   -0.5383   -0.1633   -1.1827   -0.6056
z   204.0453    1.1277   -0.2799    0.0411    0.0092    0.0615    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0774    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1165
z    -0.2846    0.1862   -0.0383    0.0475   -0.1047    0.0013
 total charge-density along one line
x   212.0000  -10.2197    6.1468   -2.0862   -0.4746   19.5185   -0.9953    0.4739   -0.0447   -0.1262
x    -2.6436   -0.0277   -0.0611    0.0846   -0.0532   -2.2254   -0.0251   -0.0026    0.0052    0.0021
x    -0.0900    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2197    6.1468   -2.0862   -0.4746   19.5186   -0.9953    0.4739   -0.0447   -0.1262
y    -2.6436   -0.0277   -0.0611    0.0846   -0.0532   -2.2254   -0.0251   -0.0026    0.0052    0.0021
y    -0.0900    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4939  189.2928 -170.3550  153.6112 -139.3678  125.3420 -110.0191   93.8733  -78.2660
z    64.0662  -51.4240   40.3669  -31.1655   24.0701  -18.8889   14.9810  -11.6776    8.6837   -6.0971
z     4.1115   -2.7425    1.8078   -1.1002    0.5316   -0.1205   -0.1166    0.2319   -0.3117    0.4010
z    -0.4770    0.4938   -0.4410    0.3558   -0.2865    0.2510   -0.2329    0.2083   -0.1707    0.1316
z    -0.1035    0.0878   -0.0766    0.0636   -0.0491    0.0374   -0.0308    0.0275   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.836  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.836  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.050   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.016   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.312   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.050   0.000   1.796   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.031   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.312   0.000   0.630   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.312   0.000   0.000   0.158   0.000  -0.192   0.000   0.000   0.000   0.010   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.416   0.000   0.077   0.585  -0.239   0.000   0.057   0.000   0.000
  0.000  -0.312   0.000   0.630   0.000   0.000  -0.192   0.000   0.379   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.041   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.369  -0.420   0.000   0.282   0.000   0.000
 -0.016   0.000  -0.031   0.000   0.010   0.082   0.000  -0.239   0.000  -0.047  -0.420   0.176   0.000  -0.033   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.010   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.057   0.000   0.053   0.282  -0.033   0.000   0.265   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.263   8.029   8.936
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.647
  6        0.863   1.782   0.000   2.645
  7        0.864   1.783   0.000   2.646
  8        0.864   1.782   0.000   2.645
  9        0.864   1.783   0.000   2.646
 10        0.864   1.784   0.000   2.648
 11        0.864   1.782   0.000   2.646
 12        0.863   1.784   0.000   2.647
 13        0.864   1.782   0.000   2.646
 14        0.864   1.783   0.000   2.647
 15        0.864   1.783   0.000   2.647
 16        0.864   1.773   0.000   2.637
 17        0.860   1.780   0.000   2.639
 18        0.863   1.785   0.000   2.648
 19        0.863   1.782   0.000   2.645
 20        0.864   1.782   0.000   2.646
 21        0.864   1.781   0.000   2.644
 22        0.864   1.770   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.782   0.000   2.646
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.644
 27        0.864   1.783   0.000   2.646
 28        0.864   1.784   0.000   2.647
 29        0.864   1.782   0.000   2.646
 30        0.864   1.784   0.000   2.647
 31        0.864   1.783   0.000   2.646
 32        0.864   1.781   0.000   2.644
 33        0.864   1.781   0.000   2.645
 34        0.863   1.782   0.000   2.645
 35        0.864   1.781   0.000   2.645
 36        0.864   1.770   0.000   2.634
 37        0.864   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.646
 39        0.864   1.783   0.000   2.647
 40        0.863   1.785   0.000   2.648
 41        0.860   1.780   0.000   2.639
 42        0.864   1.773   0.000   2.637
 43        0.864   1.783   0.000   2.647
 44        0.864   1.783   0.000   2.646
 45        0.864   1.782   0.000   2.646
 46        0.863   1.784   0.000   2.647
 47        0.864   1.782   0.000   2.646
 48        0.864   1.784   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.645
 51        0.864   1.783   0.000   2.646
 52        0.863   1.782   0.000   2.645
 53        0.864   1.783   0.000   2.647
------------------------------------------------
tot       44.859  89.392   8.029 142.279
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time   90.13: CPU time   45.38
    FORLOC:  VPU time    1.09: CPU time    1.09
    FORNL :  VPU time  362.06: CPU time  181.38
    STRESS:  VPU time 1089.16: CPU time  547.22
    FORCOR:  VPU time    7.41: CPU time    7.41
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.16: CPU time    0.16
 d Force = 0.5282423E-01[ 0.263E-02, 0.103E+00]  d Energy = 0.6254551E-01-0.972E-02
 d Force =-0.1567398E+01[-0.180E+01,-0.133E+01]  d Ewald  = 0.3146367E+02-0.330E+02


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.725799 eV

  energy  without entropy=     -471.725799  energy(sigma->0) =     -471.725799
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40798.23  40751.76 -47494.48    -40.24      0.00      0.00
  Hartree  40223.68  40204.54 -39482.19    -16.58      0.00      0.00
  E(xc)     -779.33   -779.63   -807.26     -0.26      0.00      0.00
  Local   -83306.13 -83249.72  84291.70     48.86      0.00      0.00
  n-local   -216.57   -215.58   -203.24      0.58      0.00      0.00
  augment     20.07     22.07     17.82      1.73      0.00      0.00
  Kinetic   3161.02   3175.75   3583.50      4.42      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -1.37     -0.60     -0.21      0.67      0.00      0.00
  in kB       -0.83     -0.36     -0.13      0.41      0.00      0.00
  external pressure =       -0.44 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.350765774 -0.002673559  0.000000000     0.080976765  0.046775399  0.000000000
    -6.177704901 10.694736211  0.000000000     0.000020243  0.093515636  0.000000000
     0.000000000  0.000000000 19.974472217     0.000000000  0.000000000  0.050063901

  length of vectors
    12.350766063 12.350765987 19.974472217     0.093515637  0.093515638  0.050063901


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.581E-05 -.483E-04 -.951E+03   0.451E-05 -.279E-04 0.960E+03   0.846E-21 0.676E-24 -.868E+01   0.125E-06 -.728E-07 -.103E-01
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.892E+00 -.253E+01   0.282E-03 -.164E-03 -.176E-02
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.892E+00 -.253E+01   -.282E-03 0.164E-03 -.176E-02
   -.215E+01 0.124E+01 0.163E+02   0.214E+01 -.124E+01 -.163E+02   -.710E-02 0.410E-02 -.228E-01   -.176E-02 0.101E-02 -.122E-03
   0.612E+01 0.688E+01 0.194E+02   -.612E+01 -.689E+01 -.193E+02   -.402E-02 0.244E-01 -.278E-01   -.194E-02 0.309E-03 -.170E-03
   0.111E+02 0.515E+01 0.161E+02   -.112E+02 -.515E+01 -.161E+02   0.175E-01 0.896E-02 -.496E-01   -.273E-02 0.245E-02 0.285E-03
   0.465E+01 -.854E+00 0.125E+02   -.467E+01 0.865E+00 -.125E+02   0.110E-01 -.555E-02 -.201E-01   -.138E-02 0.123E-02 0.548E-03
   -.317E+01 -.248E+01 0.126E+02   0.316E+01 0.248E+01 -.126E+02   -.352E-02 0.375E-02 -.126E-01   -.865E-03 0.782E-03 0.245E-03
   0.565E+00 0.399E+01 0.126E+02   -.569E+00 -.398E+01 -.126E+02   -.501E-02 0.117E-02 -.126E-01   -.111E-02 0.352E-03 0.242E-03
   0.235E+01 0.189E+02 0.240E+02   -.236E+01 -.191E+02 -.240E+02   -.704E-02 0.105E+00 -.471E-01   -.109E-02 0.984E-03 0.426E-04
   0.226E+02 0.214E+02 0.422E+02   -.227E+02 -.217E+02 -.422E+02   0.758E-01 0.265E+00 -.609E-01   -.202E-02 0.347E-02 0.499E-03
   0.268E+02 -.342E+01 0.256E+02   -.271E+02 0.354E+01 -.256E+02   0.264E+00 -.106E+00 -.339E-01   -.126E-02 0.250E-02 0.120E-02
   0.907E+01 -.524E+01 0.136E+02   -.912E+01 0.527E+01 -.136E+02   0.372E-01 -.215E-01 -.131E-01   -.507E-03 0.287E-03 0.702E-03
   0.306E+01 -.360E+01 0.125E+02   -.308E+01 0.361E+01 -.125E+02   0.103E-01 -.677E-02 -.201E-01   -.175E-02 0.579E-03 0.540E-03
   -.602E+01 0.137E+02 0.162E+02   0.601E+01 -.137E+02 -.161E+02   -.560E-02 0.751E-01 -.497E-01   -.806E-03 0.235E-02 0.607E-03
   -.120E+02 0.363E+02 0.478E+02   0.120E+02 -.369E+02 -.481E+02   -.338E-01 0.617E+00 0.296E+00   0.466E-03 0.148E-02 0.167E-02
   0.237E+02 -.137E+02 0.942E+02   -.243E+02 0.141E+02 -.963E+02   0.638E+00 -.368E+00 0.206E+01   -.270E-02 0.155E-02 0.302E-02
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.224E+00 -.176E+00 -.339E-01   -.280E-02 -.165E-03 0.119E-02
   0.112E+01 -.122E+02 0.161E+02   -.112E+01 0.122E+02 -.161E+02   0.100E-02 -.197E-01 -.496E-01   -.348E-02 0.114E-02 0.280E-03
   -.421E+01 0.195E+01 0.116E+02   0.421E+01 -.196E+01 -.116E+02   -.392E-02 0.116E-01 -.429E-01   -.258E-02 0.191E-02 0.521E-03
   -.193E+02 0.112E+02 0.218E+02   0.194E+02 -.112E+02 -.218E+02   -.546E-01 0.315E-01 -.406E-01   -.243E-02 0.141E-02 0.123E-02
   -.375E+02 -.782E+01 0.478E+02   0.380E+02 0.810E+01 -.481E+02   -.551E+00 -.279E+00 0.296E+00   -.104E-02 -.114E-02 0.167E-02
   -.727E+01 -.303E+02 0.422E+02   0.746E+01 0.305E+02 -.422E+02   -.192E+00 -.198E+00 -.609E-01   -.401E-02 0.105E-04 0.497E-03
   -.290E+01 -.873E+01 0.194E+02   0.291E+01 0.875E+01 -.193E+02   -.231E-01 -.870E-02 -.278E-01   -.124E-02 0.153E-02 -.171E-03
   0.132E+01 -.762E+00 0.134E+02   -.132E+01 0.765E+00 -.134E+02   -.231E-02 0.134E-02 -.183E-01   -.287E-02 0.166E-02 0.124E-03
   -.379E+01 0.267E+01 0.116E+02   0.380E+01 -.267E+01 -.116E+02   -.120E-01 -.243E-02 -.429E-01   -.294E-02 0.129E-02 0.525E-03
   -.148E+02 -.162E+01 0.162E+02   0.149E+02 0.166E+01 -.161E+02   -.678E-01 -.327E-01 -.497E-01   -.243E-02 -.476E-03 0.614E-03
   -.152E+02 -.115E+02 0.240E+02   0.153E+02 0.116E+02 -.240E+02   -.948E-01 -.466E-01 -.471E-01   -.139E-02 0.443E-03 0.451E-04
   0.290E+01 0.873E+01 0.194E+02   -.291E+01 -.875E+01 -.193E+02   0.231E-01 0.870E-02 -.278E-01   0.124E-02 -.153E-02 -.171E-03
   0.152E+02 0.115E+02 0.240E+02   -.153E+02 -.116E+02 -.240E+02   0.948E-01 0.466E-01 -.471E-01   0.139E-02 -.443E-03 0.451E-04
   0.148E+02 0.162E+01 0.162E+02   -.149E+02 -.166E+01 -.161E+02   0.678E-01 0.327E-01 -.497E-01   0.243E-02 0.476E-03 0.614E-03
   0.379E+01 -.267E+01 0.116E+02   -.380E+01 0.267E+01 -.116E+02   0.120E-01 0.243E-02 -.429E-01   0.294E-02 -.129E-02 0.525E-03
   -.132E+01 0.762E+00 0.134E+02   0.132E+01 -.765E+00 -.134E+02   0.231E-02 -.134E-02 -.183E-01   0.287E-02 -.166E-02 0.124E-03
   -.112E+01 0.122E+02 0.161E+02   0.112E+01 -.122E+02 -.161E+02   -.100E-02 0.197E-01 -.496E-01   0.348E-02 -.114E-02 0.280E-03
   0.727E+01 0.303E+02 0.422E+02   -.746E+01 -.305E+02 -.422E+02   0.192E+00 0.198E+00 -.609E-01   0.401E-02 -.104E-04 0.497E-03
   0.375E+02 0.782E+01 0.478E+02   -.380E+02 -.810E+01 -.481E+02   0.551E+00 0.279E+00 0.296E+00   0.104E-02 0.114E-02 0.167E-02
   0.193E+02 -.112E+02 0.218E+02   -.194E+02 0.112E+02 -.218E+02   0.546E-01 -.315E-01 -.406E-01   0.243E-02 -.141E-02 0.123E-02
   0.421E+01 -.195E+01 0.116E+02   -.421E+01 0.196E+01 -.116E+02   0.392E-02 -.116E-01 -.429E-01   0.258E-02 -.191E-02 0.521E-03
   -.306E+01 0.360E+01 0.125E+02   0.308E+01 -.361E+01 -.125E+02   -.103E-01 0.677E-02 -.201E-01   0.176E-02 -.580E-03 0.540E-03
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.224E+00 0.176E+00 -.339E-01   0.280E-02 0.165E-03 0.119E-02
   -.237E+02 0.137E+02 0.942E+02   0.243E+02 -.141E+02 -.963E+02   -.638E+00 0.368E+00 0.206E+01   0.270E-02 -.155E-02 0.302E-02
   0.120E+02 -.363E+02 0.478E+02   -.120E+02 0.369E+02 -.481E+02   0.338E-01 -.617E+00 0.296E+00   -.466E-03 -.148E-02 0.167E-02
   0.602E+01 -.137E+02 0.162E+02   -.601E+01 0.137E+02 -.161E+02   0.560E-02 -.751E-01 -.497E-01   0.806E-03 -.235E-02 0.607E-03
   -.565E+00 -.399E+01 0.126E+02   0.569E+00 0.398E+01 -.126E+02   0.501E-02 -.117E-02 -.126E-01   0.111E-02 -.352E-03 0.242E-03
   -.907E+01 0.524E+01 0.136E+02   0.912E+01 -.527E+01 -.136E+02   -.372E-01 0.215E-01 -.131E-01   0.507E-03 -.287E-03 0.702E-03
   -.268E+02 0.342E+01 0.256E+02   0.271E+02 -.354E+01 -.256E+02   -.264E+00 0.106E+00 -.339E-01   0.126E-02 -.250E-02 0.120E-02
   -.226E+02 -.214E+02 0.422E+02   0.227E+02 0.217E+02 -.422E+02   -.758E-01 -.265E+00 -.609E-01   0.202E-02 -.347E-02 0.499E-03
   -.235E+01 -.189E+02 0.240E+02   0.236E+01 0.191E+02 -.240E+02   0.704E-02 -.105E+00 -.471E-01   0.109E-02 -.984E-03 0.426E-04
   0.215E+01 -.124E+01 0.163E+02   -.214E+01 0.124E+01 -.163E+02   0.710E-02 -.410E-02 -.228E-01   0.176E-02 -.101E-02 -.122E-03
   0.317E+01 0.248E+01 0.126E+02   -.316E+01 -.248E+01 -.126E+02   0.352E-02 -.375E-02 -.126E-01   0.865E-03 -.782E-03 0.245E-03
   -.465E+01 0.854E+00 0.125E+02   0.467E+01 -.865E+00 -.125E+02   -.110E-01 0.555E-02 -.201E-01   0.138E-02 -.123E-02 0.548E-03
   -.111E+02 -.515E+01 0.161E+02   0.112E+02 0.515E+01 -.161E+02   -.175E-01 -.896E-02 -.496E-01   0.273E-02 -.245E-02 0.285E-03
   -.612E+01 -.688E+01 0.194E+02   0.612E+01 0.689E+01 -.193E+02   0.402E-02 -.244E-01 -.278E-01   0.194E-02 -.309E-03 -.170E-03
 -----------------------------------------------------------------------------------------------
   -.179E-02 0.282E-03 0.100E+02   0.719E-13 0.147E-12 -.551E-12   0.233E-15 -.139E-15 -.100E+02   0.226E-06 -.149E-06 0.179E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85130      6.05919     12.25542         0.000000      0.000000      0.027580
      1.07360      6.50820     13.51453         0.002909     -0.001679      0.012772
      2.62900      5.61019     13.51453        -0.002909      0.001679      0.012772
      0.00029     -0.00017      9.90482        -0.011080      0.006397      0.001144
     -1.23569      2.13735      9.90357        -0.013036      0.009310     -0.000204
     -2.47214      4.27756      9.92363        -0.011224      0.004963     -0.001216
     -3.70691      6.41683      9.93149        -0.011712      0.007302     -0.002870
     -4.94176      8.55569      9.92182        -0.010439      0.005557     -0.000120
      2.47044     -0.00084      9.92182        -0.010032      0.006263     -0.000120
      1.23411      2.13649      9.91315        -0.014622      0.003765     -0.000435
     -0.00377      4.27114      9.92587        -0.006748      0.007116     -0.002244
     -1.24045      6.41668      9.94776        -0.013102      0.009420     -0.001112
     -2.47211      8.55531      9.93305        -0.012666      0.007313     -0.000061
      4.94017     -0.00081      9.93149        -0.012180      0.006492     -0.002870
      3.70536      2.13581      9.93455        -0.010402      0.009219      0.000578
      2.46990      4.26815      9.96256        -0.010232      0.009655     -0.003861
      1.22800      6.41906      9.96883        -0.011586      0.006689     -0.007708
     -0.00417      8.55797      9.94776        -0.014709      0.006637     -0.001112
      7.41022     -0.00052      9.92363        -0.009910      0.007239     -0.001216
      6.17478      2.13733      9.92988        -0.011348      0.006926      0.000205
      4.94010      4.27587      9.94242        -0.011837      0.006834      0.002435
      3.71169      6.41899      9.96256        -0.013477      0.004033     -0.003861
      2.47226      8.55976      9.92587        -0.009537      0.002286     -0.002244
      9.88192     -0.00121      9.90357        -0.014581      0.006635     -0.000204
      8.64508      2.13680      9.91471        -0.009606      0.005546      0.000188
      7.40947      4.27588      9.92988        -0.011672      0.006364      0.000205
      6.17608      6.41523      9.93455        -0.013185      0.004398      0.000578
      4.93986      8.55505      9.91315        -0.010571      0.010780     -0.000435
     -0.00162      1.42486      9.90357         0.014581     -0.006635     -0.000204
     -1.23727      3.56334      9.91315         0.010571     -0.010780     -0.000435
     -2.47348      5.70316      9.93455         0.013185     -0.004398      0.000578
     -3.70687      7.84251      9.92988         0.011672     -0.006364      0.000205
     -4.94248      9.98158      9.91471         0.009606     -0.005546      0.000188
      2.47009      1.42417      9.92363         0.009910     -0.007239     -0.001216
      1.23033      3.55862      9.92587         0.009537     -0.002286     -0.002244
     -0.00909      5.69939      9.96256         0.013477     -0.004033     -0.003861
     -1.23750      7.84251      9.94242         0.011837     -0.006834      0.002435
     -2.47218      9.98105      9.92988         0.011348     -0.006926      0.000205
      4.94013      1.42446      9.93149         0.012180     -0.006492     -0.002870
      3.70677      3.56041      9.94776         0.014709     -0.006637     -0.001112
      2.47460      5.69933      9.96883         0.011586     -0.006689     -0.007708
      1.23270      7.85023      9.96256         0.010232     -0.009655     -0.003861
     -0.00276      9.98257      9.93455         0.010402     -0.009219      0.000578
      7.40986      1.42448      9.92182         0.010032     -0.006263     -0.000120
      6.17471      3.56307      9.93305         0.012666     -0.007313     -0.000061
      4.94304      5.70170      9.94776         0.013102     -0.009420     -0.001112
      3.70637      7.84725      9.92587         0.006748     -0.007116     -0.002244
      2.46849      9.98189      9.91315         0.014622     -0.003765     -0.000435
      9.88001      1.42382      9.90482         0.011080     -0.006397      0.001144
      8.64436      3.56269      9.92182         0.010439     -0.005557     -0.000120
      7.40951      5.70156      9.93149         0.011712     -0.007302     -0.002870
      6.17474      7.84082      9.92363         0.011224     -0.004963     -0.001216
      4.93829      9.98104      9.90357         0.013036     -0.009310     -0.000204
 -----------------------------------------------------------------------------------
    total drift:                               -0.001789      0.000282      0.008761


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.67: CPU time    1.68
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.18: CPU time    1.18
    ORTHCH:  VPU time  150.28: CPU time   75.20
     LOOP+:  VPU time 9240.67: CPU time 4727.17


----------------------------------------- Iteration    4(   1)  ---------------------------------------


    POTLOK:  VPU time    7.90: CPU time    7.75
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1136.55: CPU time  579.71
 BZINTS: Fermi energy: -3.213481;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   91.93: CPU time   46.25
    MIXING:  VPU time    0.13: CPU time    0.13
    ------------------------------------------
      LOOP:  VPU time 1236.87: CPU time  634.15

 eigenvalue-minimisations  :  4208
 total energy-change (2. order) :-0.4717258E+03  (-0.3909805E-05)
 number of electron  212.0000059 magnetization    0.0000000
 augmentation part     7.9547127 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.32250E-03    rms(broyden)= 0.32246E-03
  rms(prec ) = 0.37206E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34055.64319342
  -1/2 Hartree   DENC   =    -40946.45478583
  -V(xc)+E(xc)   XCENC  =       726.47598589
  PAW double counting   =      4091.31732988    -4129.65799198
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.48938180
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72579682 eV

  energy without entropy =     -471.72579682  energy(sigma->0) =     -471.72579682


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    4(   2)  ---------------------------------------


    POTLOK:  VPU time    7.74: CPU time    7.74
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1156.38: CPU time  590.61
 BZINTS: Fermi energy: -3.177938;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1164.46: CPU time  598.67

 eigenvalue-minimisations  :  4328
 total energy-change (2. order) :-0.2491788E-05  (-0.6614861E-06)
 number of electron  212.0000059 magnetization    0.0000000
 augmentation part     7.9547127 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34055.64319342
  -1/2 Hartree   DENC   =    -40946.42647384
  -V(xc)+E(xc)   XCENC  =       726.47565912
  PAW double counting   =      4091.32197293    -4129.66263198
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.51737257
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72579931 eV

  energy without entropy =     -471.72579931  energy(sigma->0) =     -471.72579931


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2205       2 -39.5333       3 -39.5334       4 -58.3164       5 -58.3203
       6 -58.3228       7 -58.3172       8 -58.3177       9 -58.3176      10 -58.3243
      11 -58.3906      12 -58.3540      13 -58.3255      14 -58.3172      15 -58.3271
      16 -58.5458      17 -58.7331      18 -58.3540      19 -58.3228      20 -58.3224
      21 -58.3603      22 -58.5458      23 -58.3906      24 -58.3203      25 -58.3256
      26 -58.3224      27 -58.3271      28 -58.3243      29 -58.3202      30 -58.3242
      31 -58.3270      32 -58.3224      33 -58.3255      34 -58.3227      35 -58.3905
      36 -58.5457      37 -58.3602      38 -58.3224      39 -58.3171      40 -58.3539
      41 -58.7329      42 -58.5457      43 -58.3270      44 -58.3175      45 -58.3254
      46 -58.3539      47 -58.3905      48 -58.3242      49 -58.3163      50 -58.3175
      51 -58.3171      52 -58.3227      53 -58.3202
 
 
 
 E-fermi :  -3.1779     XC(G=0):  -2.3488     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4217      1.00000
      2     -21.5992      1.00000
      3     -21.4773      1.00000
      4     -21.4679      1.00000
      5     -21.4367      1.00000
      6     -21.4355      1.00000
      7     -21.4253      1.00000
      8     -19.7042      1.00000
      9     -19.6499      1.00000
     10     -19.6243      1.00000
     11     -19.6160      1.00000
     12     -19.6089      1.00000
     13     -19.6086      1.00000
     14     -18.7865      1.00000
     15     -18.7537      1.00000
     16     -18.7303      1.00000
     17     -18.7207      1.00000
     18     -18.7169      1.00000
     19     -18.7092      1.00000
     20     -16.6317      1.00000
     21     -16.6108      1.00000
     22     -16.5843      1.00000
     23     -16.5778      1.00000
     24     -16.5545      1.00000
     25     -16.5503      1.00000
     26     -15.6134      1.00000
     27     -15.5987      1.00000
     28     -15.5953      1.00000
     29     -15.5606      1.00000
     30     -15.5604      1.00000
     31     -15.5591      1.00000
     32     -14.2603      1.00000
     33     -14.2494      1.00000
     34     -14.2365      1.00000
     35     -14.2316      1.00000
     36     -14.2204      1.00000
     37     -14.2191      1.00000
     38     -11.9066      1.00000
     39     -11.8792      1.00000
     40     -11.8676      1.00000
     41     -11.8645      1.00000
     42     -11.8448      1.00000
     43     -11.8440      1.00000
     44     -11.7713      1.00000
     45     -11.7639      1.00000
     46     -11.7365      1.00000
     47     -11.7267      1.00000
     48     -11.7234      1.00000
     49     -11.7168      1.00000
     50     -10.6734      1.00000
     51     -10.3876      1.00000
     52     -10.3813      1.00000
     53     -10.3741      1.00000
     54     -10.3690      1.00000
     55     -10.3526      1.00000
     56     -10.3514      1.00000
     57      -9.9020      1.00000
     58      -9.4477      1.00000
     59      -9.4019      1.00000
     60      -9.3587      1.00000
     61      -9.3586      1.00000
     62      -9.3503      1.00000
     63      -9.1462      1.00000
     64      -9.1227      1.00000
     65      -9.1124      1.00000
     66      -9.0824      1.00000
     67      -9.0763      1.00000
     68      -9.0746      1.00000
     69      -9.0746      1.00000
     70      -9.0660      1.00000
     71      -9.0551      1.00000
     72      -9.0346      1.00000
     73      -9.0304      1.00000
     74      -9.0262      1.00000
     75      -8.1271      1.00000
     76      -7.7487      1.00000
     77      -7.4707      1.00000
     78      -7.4663      1.00000
     79      -7.4530      1.00000
     80      -7.4314      1.00000
     81      -7.4290      1.00000
     82      -7.4054      1.00000
     83      -7.3096      1.00000
     84      -7.2699      1.00000
     85      -7.2547      1.00000
     86      -7.2468      1.00000
     87      -7.1461      1.00000
     88      -7.0485      1.00000
     89      -6.4439      1.00000
     90      -6.4135      1.00000
     91      -6.3978      1.00000
     92      -6.3636      1.00000
     93      -6.3518      1.00000
     94      -6.3395      1.00000
     95      -5.9672      1.00000
     96      -5.9524      1.00000
     97      -4.8082      1.00000
     98      -4.5457      1.00000
     99      -4.4831      1.00000
    100      -4.4739      1.00000
    101      -4.3835      1.00000
    102      -4.3812      1.00000
    103      -4.2675      1.00000
    104      -4.1879      1.00000
    105      -3.7398      1.00000
    106      -3.4787      1.00000
    107      -1.8649      0.00000
    108      -1.6732      0.00000
    109      -1.6262      0.00000
    110      -1.5918      0.00000
    111      -1.5779      0.00000
    112      -1.5759      0.00000
    113      -0.4296      0.00000
    114       0.1408      0.00000
    115       0.1910      0.00000
    116       0.2547      0.00000
    117       0.2612      0.00000
    118       0.2701      0.00000
    119       0.4791      0.00000
    120       0.5596      0.00000
    121       1.2612      0.00000
    122       1.2957      0.00000
    123       1.5482      0.00000
    124       1.7686      0.00000
    125       1.7806      0.00000
    126       1.7836      0.00000
    127       1.7836      0.00000
    128       1.8294      0.00000
    129       1.9542      0.00000
    130       1.9686      0.00000
    131       1.9696      0.00000
    132       1.9849      0.00000
    133       1.9914      0.00000
    134       2.0890      0.00000
    135       2.2698      0.00000
    136       2.3414      0.00000
    137       2.6288      0.00000
    138       2.6302      0.00000
    139       2.6570      0.00000
    140       2.7107      0.00000
    141       2.9420      0.00000
    142       3.0281      0.00000
    143       3.0339      0.00000
    144       3.0374      0.00000
    145       3.0386      0.00000
    146       3.0436      0.00000
    147       3.1114      0.00000
    148       3.2833      0.00000
    149       3.4405      0.00000
    150       3.5182      0.00000
    151       3.8138      0.00000
    152       3.9257      0.00000
    153       3.9318      0.00000
    154       3.9339      0.00000
    155       3.9576      0.00000
    156       4.0030      0.00000
    157       4.1972      0.00000
    158       4.2678      0.00000
    159       4.2847      0.00000
    160       4.2888      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3850      1.00000
      2     -21.8261      1.00000
      3     -21.6341      1.00000
      4     -21.6062      1.00000
      5     -21.2707      1.00000
      6     -21.2311      1.00000
      7     -21.0523      1.00000
      8     -20.1639      1.00000
      9     -20.1254      1.00000
     10     -19.6062      1.00000
     11     -19.5950      1.00000
     12     -19.4128      1.00000
     13     -19.0859      1.00000
     14     -19.0589      1.00000
     15     -19.0449      1.00000
     16     -19.0377      1.00000
     17     -18.3587      1.00000
     18     -18.3497      1.00000
     19     -18.0148      1.00000
     20     -17.0660      1.00000
     21     -17.0270      1.00000
     22     -16.9425      1.00000
     23     -16.9386      1.00000
     24     -16.4669      1.00000
     25     -16.4650      1.00000
     26     -15.6136      1.00000
     27     -15.6047      1.00000
     28     -15.2513      1.00000
     29     -15.2396      1.00000
     30     -15.1805      1.00000
     31     -15.0948      1.00000
     32     -15.0675      1.00000
     33     -14.7000      1.00000
     34     -14.6936      1.00000
     35     -13.7287      1.00000
     36     -13.7206      1.00000
     37     -13.2318      1.00000
     38     -12.6128      1.00000
     39     -12.5827      1.00000
     40     -12.4525      1.00000
     41     -12.4443      1.00000
     42     -12.1106      1.00000
     43     -12.1031      1.00000
     44     -11.7184      1.00000
     45     -11.6875      1.00000
     46     -11.2377      1.00000
     47     -11.2253      1.00000
     48     -11.0170      1.00000
     49     -11.0033      1.00000
     50     -10.9265      1.00000
     51     -10.9049      1.00000
     52     -10.6283      1.00000
     53     -10.1538      1.00000
     54     -10.1471      1.00000
     55     -10.0887      1.00000
     56      -9.9958      1.00000
     57      -9.7031      1.00000
     58      -9.6900      1.00000
     59      -9.6533      1.00000
     60      -9.5894      1.00000
     61      -9.5821      1.00000
     62      -9.5564      1.00000
     63      -9.3083      1.00000
     64      -9.2951      1.00000
     65      -9.2723      1.00000
     66      -9.2396      1.00000
     67      -9.1336      1.00000
     68      -9.1156      1.00000
     69      -9.1050      1.00000
     70      -8.9363      1.00000
     71      -8.8759      1.00000
     72      -8.6086      1.00000
     73      -8.5918      1.00000
     74      -8.2343      1.00000
     75      -8.0979      1.00000
     76      -7.9123      1.00000
     77      -7.8676      1.00000
     78      -7.7708      1.00000
     79      -7.7538      1.00000
     80      -7.6887      1.00000
     81      -7.5613      1.00000
     82      -7.3383      1.00000
     83      -7.3201      1.00000
     84      -7.2025      1.00000
     85      -7.1223      1.00000
     86      -7.0293      1.00000
     87      -7.0168      1.00000
     88      -6.7023      1.00000
     89      -6.6766      1.00000
     90      -6.6385      1.00000
     91      -6.5967      1.00000
     92      -6.1141      1.00000
     93      -6.0628      1.00000
     94      -6.0333      1.00000
     95      -6.0118      1.00000
     96      -5.7814      1.00000
     97      -4.9749      1.00000
     98      -4.8334      1.00000
     99      -4.7468      1.00000
    100      -4.6785      1.00000
    101      -4.4698      1.00000
    102      -4.2041      1.00000
    103      -4.1742      1.00000
    104      -4.1284      1.00000
    105      -3.7302      1.00000
    106      -3.4890      1.00000
    107      -1.8724      0.00000
    108      -1.8109      0.00000
    109      -1.5265      0.00000
    110      -1.3808      0.00000
    111      -1.3227      0.00000
    112      -1.2891      0.00000
    113      -0.7205      0.00000
    114      -0.3771      0.00000
    115      -0.2550      0.00000
    116       0.0384      0.00000
    117       0.5651      0.00000
    118       0.6944      0.00000
    119       0.7464      0.00000
    120       1.0484      0.00000
    121       1.0970      0.00000
    122       1.1552      0.00000
    123       1.2288      0.00000
    124       1.3862      0.00000
    125       1.5330      0.00000
    126       1.5964      0.00000
    127       1.7200      0.00000
    128       1.7958      0.00000
    129       1.8524      0.00000
    130       1.8802      0.00000
    131       2.1004      0.00000
    132       2.2020      0.00000
    133       2.2473      0.00000
    134       2.3153      0.00000
    135       2.5224      0.00000
    136       2.5996      0.00000
    137       2.6045      0.00000
    138       2.7742      0.00000
    139       2.7865      0.00000
    140       2.8185      0.00000
    141       2.8209      0.00000
    142       2.8951      0.00000
    143       2.9407      0.00000
    144       3.0952      0.00000
    145       3.1633      0.00000
    146       3.3118      0.00000
    147       3.3433      0.00000
    148       3.4028      0.00000
    149       3.4611      0.00000
    150       3.5924      0.00000
    151       3.6335      0.00000
    152       3.6496      0.00000
    153       3.7044      0.00000
    154       3.9119      0.00000
    155       3.9611      0.00000
    156       4.0218      0.00000
    157       4.0702      0.00000
    158       4.2293      0.00000
    159       4.2462      0.00000
    160       4.2827      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2791      1.00000
      2     -22.0734      1.00000
      3     -21.7126      1.00000
      4     -21.6806      1.00000
      5     -20.9756      1.00000
      6     -20.9347      1.00000
      7     -20.6079      1.00000
      8     -20.5709      1.00000
      9     -20.5646      1.00000
     10     -20.0282      1.00000
     11     -19.5011      1.00000
     12     -19.4892      1.00000
     13     -19.3046      1.00000
     14     -19.2989      1.00000
     15     -18.4441      1.00000
     16     -18.4071      1.00000
     17     -17.9200      1.00000
     18     -17.9110      1.00000
     19     -17.7581      1.00000
     20     -17.7220      1.00000
     21     -17.4340      1.00000
     22     -17.4267      1.00000
     23     -17.3370      1.00000
     24     -16.4628      1.00000
     25     -16.4625      1.00000
     26     -15.9624      1.00000
     27     -15.4148      1.00000
     28     -15.4063      1.00000
     29     -15.0978      1.00000
     30     -15.0903      1.00000
     31     -14.8534      1.00000
     32     -14.8447      1.00000
     33     -14.2875      1.00000
     34     -14.2544      1.00000
     35     -13.4344      1.00000
     36     -13.4018      1.00000
     37     -13.1796      1.00000
     38     -13.1710      1.00000
     39     -12.9781      1.00000
     40     -12.9717      1.00000
     41     -12.6151      1.00000
     42     -12.6070      1.00000
     43     -12.1940      1.00000
     44     -11.5775      1.00000
     45     -11.5437      1.00000
     46     -11.3111      1.00000
     47     -11.2885      1.00000
     48     -11.1386      1.00000
     49     -10.6798      1.00000
     50     -10.6599      1.00000
     51     -10.5514      1.00000
     52     -10.3216      1.00000
     53     -10.3123      1.00000
     54     -10.1662      1.00000
     55     -10.1189      1.00000
     56     -10.1122      1.00000
     57      -9.7963      1.00000
     58      -9.7567      1.00000
     59      -9.7533      1.00000
     60      -9.7029      1.00000
     61      -9.6877      1.00000
     62      -9.6589      1.00000
     63      -9.3555      1.00000
     64      -9.3452      1.00000
     65      -9.3189      1.00000
     66      -9.0397      1.00000
     67      -8.9559      1.00000
     68      -8.9503      1.00000
     69      -8.7968      1.00000
     70      -8.5979      1.00000
     71      -8.5562      1.00000
     72      -8.3962      1.00000
     73      -8.3616      1.00000
     74      -8.3256      1.00000
     75      -8.3054      1.00000
     76      -8.2624      1.00000
     77      -8.2558      1.00000
     78      -8.2396      1.00000
     79      -7.9015      1.00000
     80      -7.6495      1.00000
     81      -7.5493      1.00000
     82      -7.3850      1.00000
     83      -7.3474      1.00000
     84      -7.2283      1.00000
     85      -7.0942      1.00000
     86      -7.0379      1.00000
     87      -6.9317      1.00000
     88      -6.8476      1.00000
     89      -6.6174      1.00000
     90      -6.5565      1.00000
     91      -6.2746      1.00000
     92      -6.0421      1.00000
     93      -5.9500      1.00000
     94      -5.6608      1.00000
     95      -5.6237      1.00000
     96      -5.4625      1.00000
     97      -5.3181      1.00000
     98      -5.2782      1.00000
     99      -5.2116      1.00000
    100      -5.1953      1.00000
    101      -4.5102      1.00000
    102      -4.2085      1.00000
    103      -4.0613      1.00000
    104      -3.9906      1.00000
    105      -3.6950      1.00000
    106      -3.4994      1.00000
    107      -1.9481      0.00000
    108      -1.8976      0.00000
    109      -1.3409      0.00000
    110      -1.0861      0.00000
    111      -1.0618      0.00000
    112      -0.8021      0.00000
    113      -0.6825      0.00000
    114      -0.6480      0.00000
    115      -0.6091      0.00000
    116      -0.1079      0.00000
    117       0.2131      0.00000
    118       0.3295      0.00000
    119       0.7048      0.00000
    120       0.8982      0.00000
    121       1.1252      0.00000
    122       1.1975      0.00000
    123       1.3343      0.00000
    124       1.4320      0.00000
    125       1.5523      0.00000
    126       1.5751      0.00000
    127       1.6920      0.00000
    128       1.8138      0.00000
    129       1.8872      0.00000
    130       2.0542      0.00000
    131       2.0976      0.00000
    132       2.3007      0.00000
    133       2.3523      0.00000
    134       2.4112      0.00000
    135       2.5643      0.00000
    136       2.6356      0.00000
    137       2.7171      0.00000
    138       2.7383      0.00000
    139       2.7906      0.00000
    140       2.8782      0.00000
    141       3.0386      0.00000
    142       3.0627      0.00000
    143       3.1777      0.00000
    144       3.2684      0.00000
    145       3.3672      0.00000
    146       3.4180      0.00000
    147       3.4367      0.00000
    148       3.5566      0.00000
    149       3.5756      0.00000
    150       3.5972      0.00000
    151       3.6576      0.00000
    152       3.6794      0.00000
    153       3.7610      0.00000
    154       3.7696      0.00000
    155       3.8050      0.00000
    156       3.8926      0.00000
    157       3.9272      0.00000
    158       4.0017      0.00000
    159       4.2182      0.00000
    160       4.2301      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3130      1.00000
      2     -21.9586      1.00000
      3     -21.8891      1.00000
      4     -21.3774      1.00000
      5     -21.3480      1.00000
      6     -20.8352      1.00000
      7     -20.7695      1.00000
      8     -20.6190      1.00000
      9     -20.0752      1.00000
     10     -20.0696      1.00000
     11     -19.7128      1.00000
     12     -19.6882      1.00000
     13     -18.9939      1.00000
     14     -18.9881      1.00000
     15     -18.6404      1.00000
     16     -18.6243      1.00000
     17     -18.4565      1.00000
     18     -17.6707      1.00000
     19     -17.6204      1.00000
     20     -17.6171      1.00000
     21     -17.5747      1.00000
     22     -17.1259      1.00000
     23     -17.1040      1.00000
     24     -16.9652      1.00000
     25     -16.0044      1.00000
     26     -15.9283      1.00000
     27     -15.5818      1.00000
     28     -15.5815      1.00000
     29     -15.2849      1.00000
     30     -14.8626      1.00000
     31     -14.8351      1.00000
     32     -14.5744      1.00000
     33     -14.5323      1.00000
     34     -14.1715      1.00000
     35     -14.1579      1.00000
     36     -13.1487      1.00000
     37     -13.0940      1.00000
     38     -13.0244      1.00000
     39     -13.0147      1.00000
     40     -12.7048      1.00000
     41     -12.7006      1.00000
     42     -12.3414      1.00000
     43     -12.3100      1.00000
     44     -11.6404      1.00000
     45     -11.6272      1.00000
     46     -11.5717      1.00000
     47     -10.9512      1.00000
     48     -10.9180      1.00000
     49     -10.6303      1.00000
     50     -10.6218      1.00000
     51     -10.5447      1.00000
     52     -10.5022      1.00000
     53     -10.5016      1.00000
     54     -10.4384      1.00000
     55     -10.3508      1.00000
     56     -10.0962      1.00000
     57      -9.8997      1.00000
     58      -9.5992      1.00000
     59      -9.5465      1.00000
     60      -9.4525      1.00000
     61      -9.4151      1.00000
     62      -9.4047      1.00000
     63      -9.3709      1.00000
     64      -9.3696      1.00000
     65      -9.2850      1.00000
     66      -9.1742      1.00000
     67      -9.1494      1.00000
     68      -9.1170      1.00000
     69      -8.8686      1.00000
     70      -8.8615      1.00000
     71      -8.8129      1.00000
     72      -8.5934      1.00000
     73      -8.4766      1.00000
     74      -8.2021      1.00000
     75      -8.1669      1.00000
     76      -8.0062      1.00000
     77      -7.9648      1.00000
     78      -7.8447      1.00000
     79      -7.8342      1.00000
     80      -7.7034      1.00000
     81      -7.6951      1.00000
     82      -7.6193      1.00000
     83      -7.4478      1.00000
     84      -7.2966      1.00000
     85      -7.2528      1.00000
     86      -6.9091      1.00000
     87      -6.8962      1.00000
     88      -6.5871      1.00000
     89      -6.5500      1.00000
     90      -6.4010      1.00000
     91      -6.2540      1.00000
     92      -6.2332      1.00000
     93      -6.2133      1.00000
     94      -6.0201      1.00000
     95      -5.5484      1.00000
     96      -5.4872      1.00000
     97      -5.3485      1.00000
     98      -5.2172      1.00000
     99      -4.9815      1.00000
    100      -4.7335      1.00000
    101      -4.6788      1.00000
    102      -4.3883      1.00000
    103      -4.2038      1.00000
    104      -3.8730      1.00000
    105      -3.5480      1.00000
    106      -3.5115      1.00000
    107      -2.2572      0.00000
    108      -1.4597      0.00000
    109      -1.3749      0.00000
    110      -1.2436      0.00000
    111      -1.0990      0.00000
    112      -0.9450      0.00000
    113      -0.8646      0.00000
    114      -0.8048      0.00000
    115      -0.1394      0.00000
    116       0.1055      0.00000
    117       0.2352      0.00000
    118       0.3766      0.00000
    119       0.6627      0.00000
    120       0.8358      0.00000
    121       0.9351      0.00000
    122       1.0738      0.00000
    123       1.2429      0.00000
    124       1.4566      0.00000
    125       1.5657      0.00000
    126       1.7648      0.00000
    127       1.7918      0.00000
    128       1.8644      0.00000
    129       1.9856      0.00000
    130       2.0425      0.00000
    131       2.1839      0.00000
    132       2.1874      0.00000
    133       2.4065      0.00000
    134       2.4272      0.00000
    135       2.5059      0.00000
    136       2.5974      0.00000
    137       2.6307      0.00000
    138       2.7067      0.00000
    139       2.7706      0.00000
    140       2.8519      0.00000
    141       2.9623      0.00000
    142       3.0794      0.00000
    143       3.1732      0.00000
    144       3.2049      0.00000
    145       3.2367      0.00000
    146       3.2999      0.00000
    147       3.3289      0.00000
    148       3.4697      0.00000
    149       3.5120      0.00000
    150       3.6952      0.00000
    151       3.7259      0.00000
    152       3.7265      0.00000
    153       3.8640      0.00000
    154       3.9070      0.00000
    155       3.9460      0.00000
    156       3.9699      0.00000
    157       4.0336      0.00000
    158       4.0471      0.00000
    159       4.0599      0.00000
    160       4.1028      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2062      1.00000
      2     -22.1129      1.00000
      3     -21.9525      1.00000
      4     -21.4006      1.00000
      5     -21.0458      1.00000
      6     -21.0096      1.00000
      7     -20.4971      1.00000
      8     -20.4574      1.00000
      9     -20.2906      1.00000
     10     -20.2712      1.00000
     11     -19.9549      1.00000
     12     -19.8890      1.00000
     13     -18.8808      1.00000
     14     -18.8118      1.00000
     15     -18.3494      1.00000
     16     -18.3027      1.00000
     17     -18.1506      1.00000
     18     -18.1332      1.00000
     19     -17.8235      1.00000
     20     -17.7857      1.00000
     21     -17.2496      1.00000
     22     -17.2424      1.00000
     23     -17.1612      1.00000
     24     -17.1325      1.00000
     25     -16.1054      1.00000
     26     -15.8843      1.00000
     27     -15.8678      1.00000
     28     -15.8348      1.00000
     29     -15.2343      1.00000
     30     -14.5556      1.00000
     31     -14.5268      1.00000
     32     -14.2787      1.00000
     33     -13.9610      1.00000
     34     -13.9529      1.00000
     35     -13.8188      1.00000
     36     -13.8037      1.00000
     37     -13.6141      1.00000
     38     -13.5696      1.00000
     39     -13.3654      1.00000
     40     -12.6305      1.00000
     41     -12.1819      1.00000
     42     -12.1327      1.00000
     43     -12.0713      1.00000
     44     -12.0189      1.00000
     45     -11.6663      1.00000
     46     -11.6528      1.00000
     47     -11.1417      1.00000
     48     -11.1193      1.00000
     49     -10.7969      1.00000
     50     -10.7333      1.00000
     51     -10.5271      1.00000
     52     -10.2080      1.00000
     53     -10.1995      1.00000
     54     -10.1607      1.00000
     55     -10.0165      1.00000
     56      -9.9996      1.00000
     57      -9.9879      1.00000
     58      -9.8038      1.00000
     59      -9.7888      1.00000
     60      -9.7651      1.00000
     61      -9.7568      1.00000
     62      -9.4579      1.00000
     63      -9.4154      1.00000
     64      -9.0806      1.00000
     65      -9.0686      1.00000
     66      -9.0386      1.00000
     67      -8.9573      1.00000
     68      -8.8742      1.00000
     69      -8.7118      1.00000
     70      -8.6950      1.00000
     71      -8.5690      1.00000
     72      -8.5467      1.00000
     73      -8.4989      1.00000
     74      -8.4585      1.00000
     75      -8.4550      1.00000
     76      -8.2584      1.00000
     77      -8.1225      1.00000
     78      -8.0406      1.00000
     79      -7.9139      1.00000
     80      -7.8617      1.00000
     81      -7.6140      1.00000
     82      -7.5500      1.00000
     83      -7.4878      1.00000
     84      -7.2684      1.00000
     85      -6.9937      1.00000
     86      -6.9218      1.00000
     87      -6.8801      1.00000
     88      -6.5363      1.00000
     89      -6.4910      1.00000
     90      -6.4603      1.00000
     91      -6.4099      1.00000
     92      -5.9822      1.00000
     93      -5.8959      1.00000
     94      -5.7820      1.00000
     95      -5.7602      1.00000
     96      -5.4311      1.00000
     97      -5.3287      1.00000
     98      -5.2287      1.00000
     99      -5.2158      1.00000
    100      -5.1902      1.00000
    101      -4.6935      1.00000
    102      -4.4227      1.00000
    103      -4.2103      1.00000
    104      -3.8358      1.00000
    105      -3.5308      1.00000
    106      -3.2755      1.00000
    107      -2.5318      0.00000
    108      -1.4603      0.00000
    109      -1.2691      0.00000
    110      -1.2043      0.00000
    111      -1.1748      0.00000
    112      -0.7221      0.00000
    113      -0.5060      0.00000
    114      -0.4146      0.00000
    115      -0.3435      0.00000
    116      -0.1474      0.00000
    117      -0.0045      0.00000
    118       0.1951      0.00000
    119       0.5587      0.00000
    120       0.6107      0.00000
    121       0.8056      0.00000
    122       0.9194      0.00000
    123       1.1432      0.00000
    124       1.5075      0.00000
    125       1.6469      0.00000
    126       1.8703      0.00000
    127       1.9383      0.00000
    128       2.0932      0.00000
    129       2.1148      0.00000
    130       2.1312      0.00000
    131       2.1675      0.00000
    132       2.2756      0.00000
    133       2.3102      0.00000
    134       2.4624      0.00000
    135       2.5785      0.00000
    136       2.6654      0.00000
    137       2.8596      0.00000
    138       2.8701      0.00000
    139       2.9029      0.00000
    140       2.9933      0.00000
    141       3.0256      0.00000
    142       3.1461      0.00000
    143       3.1499      0.00000
    144       3.2216      0.00000
    145       3.2749      0.00000
    146       3.2845      0.00000
    147       3.3052      0.00000
    148       3.3522      0.00000
    149       3.4318      0.00000
    150       3.4504      0.00000
    151       3.5599      0.00000
    152       3.6152      0.00000
    153       3.6691      0.00000
    154       3.7100      0.00000
    155       3.7871      0.00000
    156       3.9018      0.00000
    157       3.9314      0.00000
    158       4.0116      0.00000
    159       4.1477      0.00000
    160       4.2395      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3129      1.00000
      2     -21.9601      1.00000
      3     -21.8877      1.00000
      4     -21.3803      1.00000
      5     -21.3437      1.00000
      6     -20.8360      1.00000
      7     -20.7695      1.00000
      8     -20.6218      1.00000
      9     -20.0855      1.00000
     10     -20.0565      1.00000
     11     -19.7154      1.00000
     12     -19.6864      1.00000
     13     -19.0067      1.00000
     14     -18.9752      1.00000
     15     -18.6457      1.00000
     16     -18.6128      1.00000
     17     -18.4592      1.00000
     18     -17.6587      1.00000
     19     -17.6473      1.00000
     20     -17.6093      1.00000
     21     -17.5771      1.00000
     22     -17.1348      1.00000
     23     -17.0946      1.00000
     24     -16.9622      1.00000
     25     -16.0053      1.00000
     26     -15.9187      1.00000
     27     -15.5976      1.00000
     28     -15.5727      1.00000
     29     -15.2784      1.00000
     30     -14.8752      1.00000
     31     -14.8272      1.00000
     32     -14.5752      1.00000
     33     -14.5374      1.00000
     34     -14.1597      1.00000
     35     -14.1560      1.00000
     36     -13.1616      1.00000
     37     -13.0946      1.00000
     38     -13.0250      1.00000
     39     -13.0183      1.00000
     40     -12.7193      1.00000
     41     -12.6947      1.00000
     42     -12.3374      1.00000
     43     -12.3088      1.00000
     44     -11.6285      1.00000
     45     -11.6196      1.00000
     46     -11.5667      1.00000
     47     -10.9392      1.00000
     48     -10.9181      1.00000
     49     -10.6700      1.00000
     50     -10.5919      1.00000
     51     -10.5712      1.00000
     52     -10.4955      1.00000
     53     -10.4869      1.00000
     54     -10.4400      1.00000
     55     -10.3590      1.00000
     56     -10.1006      1.00000
     57      -9.8940      1.00000
     58      -9.6120      1.00000
     59      -9.5549      1.00000
     60      -9.4531      1.00000
     61      -9.4141      1.00000
     62      -9.4068      1.00000
     63      -9.3818      1.00000
     64      -9.3738      1.00000
     65      -9.2641      1.00000
     66      -9.1629      1.00000
     67      -9.1388      1.00000
     68      -9.1133      1.00000
     69      -8.8672      1.00000
     70      -8.8524      1.00000
     71      -8.8004      1.00000
     72      -8.5942      1.00000
     73      -8.5249      1.00000
     74      -8.1924      1.00000
     75      -8.1669      1.00000
     76      -8.0735      1.00000
     77      -7.8601      1.00000
     78      -7.8390      1.00000
     79      -7.8244      1.00000
     80      -7.7134      1.00000
     81      -7.6967      1.00000
     82      -7.5940      1.00000
     83      -7.5302      1.00000
     84      -7.3473      1.00000
     85      -7.1670      1.00000
     86      -6.9067      1.00000
     87      -6.8931      1.00000
     88      -6.5891      1.00000
     89      -6.5510      1.00000
     90      -6.4109      1.00000
     91      -6.2999      1.00000
     92      -6.2452      1.00000
     93      -6.1987      1.00000
     94      -6.0038      1.00000
     95      -5.5309      1.00000
     96      -5.4667      1.00000
     97      -5.3142      1.00000
     98      -5.2100      1.00000
     99      -5.0464      1.00000
    100      -4.7225      1.00000
    101      -4.6727      1.00000
    102      -4.4250      1.00000
    103      -4.1952      1.00000
    104      -3.8443      1.00000
    105      -3.6353      1.00000
    106      -3.4164      1.00000
    107      -2.2945      0.00000
    108      -1.5118      0.00000
    109      -1.2723      0.00000
    110      -1.2641      0.00000
    111      -1.0353      0.00000
    112      -0.9824      0.00000
    113      -0.8704      0.00000
    114      -0.8024      0.00000
    115      -0.2615      0.00000
    116       0.2033      0.00000
    117       0.2375      0.00000
    118       0.3607      0.00000
    119       0.7007      0.00000
    120       0.8903      0.00000
    121       0.9230      0.00000
    122       1.0497      0.00000
    123       1.1767      0.00000
    124       1.5184      0.00000
    125       1.5755      0.00000
    126       1.7144      0.00000
    127       1.7756      0.00000
    128       1.8278      0.00000
    129       1.9510      0.00000
    130       2.0013      0.00000
    131       2.1723      0.00000
    132       2.2787      0.00000
    133       2.4068      0.00000
    134       2.4295      0.00000
    135       2.5064      0.00000
    136       2.5991      0.00000
    137       2.6155      0.00000
    138       2.7097      0.00000
    139       2.7496      0.00000
    140       2.8802      0.00000
    141       3.0469      0.00000
    142       3.0776      0.00000
    143       3.1746      0.00000
    144       3.2234      0.00000
    145       3.2332      0.00000
    146       3.2951      0.00000
    147       3.3356      0.00000
    148       3.4605      0.00000
    149       3.5325      0.00000
    150       3.6982      0.00000
    151       3.7145      0.00000
    152       3.7524      0.00000
    153       3.8349      0.00000
    154       3.8813      0.00000
    155       3.9336      0.00000
    156       3.9752      0.00000
    157       3.9859      0.00000
    158       4.0230      0.00000
    159       4.0365      0.00000
    160       4.1016      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3850      1.00000
      2     -21.8268      1.00000
      3     -21.6367      1.00000
      4     -21.6018      1.00000
      5     -21.2744      1.00000
      6     -21.2276      1.00000
      7     -21.0532      1.00000
      8     -20.1683      1.00000
      9     -20.1224      1.00000
     10     -19.6119      1.00000
     11     -19.5852      1.00000
     12     -19.4144      1.00000
     13     -19.0921      1.00000
     14     -19.0521      1.00000
     15     -19.0477      1.00000
     16     -19.0361      1.00000
     17     -18.3631      1.00000
     18     -18.3430      1.00000
     19     -18.0175      1.00000
     20     -17.0731      1.00000
     21     -17.0248      1.00000
     22     -16.9478      1.00000
     23     -16.9335      1.00000
     24     -16.4698      1.00000
     25     -16.4579      1.00000
     26     -15.6042      1.00000
     27     -15.6036      1.00000
     28     -15.2491      1.00000
     29     -15.2367      1.00000
     30     -15.1931      1.00000
     31     -15.1019      1.00000
     32     -15.0689      1.00000
     33     -14.6936      1.00000
     34     -14.6925      1.00000
     35     -13.7216      1.00000
     36     -13.7213      1.00000
     37     -13.2393      1.00000
     38     -12.6261      1.00000
     39     -12.5817      1.00000
     40     -12.4547      1.00000
     41     -12.4491      1.00000
     42     -12.1042      1.00000
     43     -12.0990      1.00000
     44     -11.7130      1.00000
     45     -11.6741      1.00000
     46     -11.2441      1.00000
     47     -11.2227      1.00000
     48     -11.0199      1.00000
     49     -11.0081      1.00000
     50     -10.9222      1.00000
     51     -10.8932      1.00000
     52     -10.6345      1.00000
     53     -10.1735      1.00000
     54     -10.1503      1.00000
     55     -10.0906      1.00000
     56      -9.9902      1.00000
     57      -9.6969      1.00000
     58      -9.6895      1.00000
     59      -9.6673      1.00000
     60      -9.5879      1.00000
     61      -9.5642      1.00000
     62      -9.5499      1.00000
     63      -9.3153      1.00000
     64      -9.3040      1.00000
     65      -9.2816      1.00000
     66      -9.2326      1.00000
     67      -9.1207      1.00000
     68      -9.1158      1.00000
     69      -9.1125      1.00000
     70      -8.9371      1.00000
     71      -8.8653      1.00000
     72      -8.6017      1.00000
     73      -8.5833      1.00000
     74      -8.2696      1.00000
     75      -8.1094      1.00000
     76      -7.8596      1.00000
     77      -7.8418      1.00000
     78      -7.7905      1.00000
     79      -7.7676      1.00000
     80      -7.7596      1.00000
     81      -7.4483      1.00000
     82      -7.3391      1.00000
     83      -7.3275      1.00000
     84      -7.2625      1.00000
     85      -7.1582      1.00000
     86      -7.0075      1.00000
     87      -6.9859      1.00000
     88      -6.7148      1.00000
     89      -6.6874      1.00000
     90      -6.6313      1.00000
     91      -6.5894      1.00000
     92      -6.1261      1.00000
     93      -6.0556      1.00000
     94      -6.0431      1.00000
     95      -6.0240      1.00000
     96      -5.7492      1.00000
     97      -4.9756      1.00000
     98      -4.8395      1.00000
     99      -4.7102      1.00000
    100      -4.6751      1.00000
    101      -4.4846      1.00000
    102      -4.3527      1.00000
    103      -4.1111      1.00000
    104      -4.0556      1.00000
    105      -3.7555      1.00000
    106      -3.4663      1.00000
    107      -1.9539      0.00000
    108      -1.7726      0.00000
    109      -1.4813      0.00000
    110      -1.3562      0.00000
    111      -1.3384      0.00000
    112      -1.2956      0.00000
    113      -0.6836      0.00000
    114      -0.4732      0.00000
    115      -0.2359      0.00000
    116       0.0535      0.00000
    117       0.5992      0.00000
    118       0.6909      0.00000
    119       0.7699      0.00000
    120       1.0212      0.00000
    121       1.0923      0.00000
    122       1.1763      0.00000
    123       1.2559      0.00000
    124       1.3393      0.00000
    125       1.4465      0.00000
    126       1.6115      0.00000
    127       1.7490      0.00000
    128       1.8445      0.00000
    129       1.8535      0.00000
    130       1.8923      0.00000
    131       2.0414      0.00000
    132       2.2246      0.00000
    133       2.2505      0.00000
    134       2.3004      0.00000
    135       2.4836      0.00000
    136       2.5922      0.00000
    137       2.6362      0.00000
    138       2.7690      0.00000
    139       2.7705      0.00000
    140       2.8296      0.00000
    141       2.8349      0.00000
    142       2.8443      0.00000
    143       2.9329      0.00000
    144       3.1028      0.00000
    145       3.3130      0.00000
    146       3.3410      0.00000
    147       3.3779      0.00000
    148       3.4020      0.00000
    149       3.4201      0.00000
    150       3.5713      0.00000
    151       3.6161      0.00000
    152       3.6727      0.00000
    153       3.7296      0.00000
    154       3.8976      0.00000
    155       3.9341      0.00000
    156       3.9476      0.00000
    157       4.1108      0.00000
    158       4.2033      0.00000
    159       4.2480      0.00000
    160       4.3292      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2055      1.00000
      2     -22.1144      1.00000
      3     -21.9518      1.00000
      4     -21.3997      1.00000
      5     -21.0423      1.00000
      6     -21.0140      1.00000
      7     -20.4922      1.00000
      8     -20.4622      1.00000
      9     -20.2838      1.00000
     10     -20.2818      1.00000
     11     -19.9517      1.00000
     12     -19.8883      1.00000
     13     -18.8782      1.00000
     14     -18.8103      1.00000
     15     -18.3373      1.00000
     16     -18.3179      1.00000
     17     -18.1463      1.00000
     18     -18.1386      1.00000
     19     -17.8153      1.00000
     20     -17.7969      1.00000
     21     -17.2548      1.00000
     22     -17.2353      1.00000
     23     -17.1636      1.00000
     24     -17.1296      1.00000
     25     -16.1152      1.00000
     26     -15.8753      1.00000
     27     -15.8642      1.00000
     28     -15.8353      1.00000
     29     -15.2330      1.00000
     30     -14.5454      1.00000
     31     -14.5270      1.00000
     32     -14.2769      1.00000
     33     -13.9775      1.00000
     34     -13.9537      1.00000
     35     -13.8254      1.00000
     36     -13.8031      1.00000
     37     -13.6021      1.00000
     38     -13.5766      1.00000
     39     -13.3670      1.00000
     40     -12.6372      1.00000
     41     -12.1664      1.00000
     42     -12.1398      1.00000
     43     -12.0620      1.00000
     44     -12.0148      1.00000
     45     -11.6704      1.00000
     46     -11.6658      1.00000
     47     -11.1327      1.00000
     48     -11.1215      1.00000
     49     -10.7818      1.00000
     50     -10.7252      1.00000
     51     -10.5339      1.00000
     52     -10.2117      1.00000
     53     -10.2056      1.00000
     54     -10.1667      1.00000
     55     -10.0241      1.00000
     56      -9.9921      1.00000
     57      -9.9910      1.00000
     58      -9.8080      1.00000
     59      -9.7994      1.00000
     60      -9.7645      1.00000
     61      -9.7560      1.00000
     62      -9.4442      1.00000
     63      -9.4139      1.00000
     64      -9.0865      1.00000
     65      -9.0485      1.00000
     66      -9.0236      1.00000
     67      -8.9673      1.00000
     68      -8.8953      1.00000
     69      -8.7123      1.00000
     70      -8.7031      1.00000
     71      -8.5515      1.00000
     72      -8.5412      1.00000
     73      -8.4761      1.00000
     74      -8.4594      1.00000
     75      -8.4564      1.00000
     76      -8.3071      1.00000
     77      -8.0938      1.00000
     78      -8.0871      1.00000
     79      -7.9296      1.00000
     80      -7.8296      1.00000
     81      -7.5976      1.00000
     82      -7.5330      1.00000
     83      -7.4384      1.00000
     84      -7.3161      1.00000
     85      -7.0011      1.00000
     86      -6.9257      1.00000
     87      -6.8882      1.00000
     88      -6.5233      1.00000
     89      -6.5110      1.00000
     90      -6.4761      1.00000
     91      -6.4173      1.00000
     92      -5.9273      1.00000
     93      -5.9058      1.00000
     94      -5.7881      1.00000
     95      -5.7738      1.00000
     96      -5.3703      1.00000
     97      -5.3633      1.00000
     98      -5.2223      1.00000
     99      -5.2146      1.00000
    100      -5.1975      1.00000
    101      -4.7192      1.00000
    102      -4.4434      1.00000
    103      -4.1913      1.00000
    104      -3.8220      1.00000
    105      -3.5670      1.00000
    106      -3.2203      1.00000
    107      -2.5653      0.00000
    108      -1.4659      0.00000
    109      -1.2720      0.00000
    110      -1.1867      0.00000
    111      -1.1836      0.00000
    112      -0.6471      0.00000
    113      -0.5545      0.00000
    114      -0.4167      0.00000
    115      -0.3479      0.00000
    116      -0.0801      0.00000
    117      -0.0682      0.00000
    118       0.1255      0.00000
    119       0.5910      0.00000
    120       0.6264      0.00000
    121       0.8673      0.00000
    122       0.9955      0.00000
    123       1.0143      0.00000
    124       1.5043      0.00000
    125       1.6986      0.00000
    126       1.7819      0.00000
    127       1.8782      0.00000
    128       2.0921      0.00000
    129       2.1241      0.00000
    130       2.1822      0.00000
    131       2.2078      0.00000
    132       2.2454      0.00000
    133       2.3295      0.00000
    134       2.4967      0.00000
    135       2.5026      0.00000
    136       2.6763      0.00000
    137       2.8439      0.00000
    138       2.8538      0.00000
    139       2.9590      0.00000
    140       2.9798      0.00000
    141       3.0414      0.00000
    142       3.1448      0.00000
    143       3.1607      0.00000
    144       3.2422      0.00000
    145       3.2491      0.00000
    146       3.2811      0.00000
    147       3.3071      0.00000
    148       3.3627      0.00000
    149       3.4229      0.00000
    150       3.5569      0.00000
    151       3.5743      0.00000
    152       3.6510      0.00000
    153       3.6552      0.00000
    154       3.6733      0.00000
    155       3.7052      0.00000
    156       3.9058      0.00000
    157       3.9553      0.00000
    158       4.0471      0.00000
    159       4.0918      0.00000
    160       4.1972      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2789      1.00000
      2     -22.0743      1.00000
      3     -21.7153      1.00000
      4     -21.6763      1.00000
      5     -20.9787      1.00000
      6     -20.9311      1.00000
      7     -20.6077      1.00000
      8     -20.5765      1.00000
      9     -20.5621      1.00000
     10     -20.0303      1.00000
     11     -19.5084      1.00000
     12     -19.4778      1.00000
     13     -19.3064      1.00000
     14     -19.2931      1.00000
     15     -18.4485      1.00000
     16     -18.4057      1.00000
     17     -17.9245      1.00000
     18     -17.9037      1.00000
     19     -17.7658      1.00000
     20     -17.7211      1.00000
     21     -17.4391      1.00000
     22     -17.4202      1.00000
     23     -17.3408      1.00000
     24     -16.4652      1.00000
     25     -16.4550      1.00000
     26     -15.9700      1.00000
     27     -15.4054      1.00000
     28     -15.4044      1.00000
     29     -15.0907      1.00000
     30     -15.0877      1.00000
     31     -14.8545      1.00000
     32     -14.8418      1.00000
     33     -14.2995      1.00000
     34     -14.2557      1.00000
     35     -13.4465      1.00000
     36     -13.4025      1.00000
     37     -13.1725      1.00000
     38     -13.1709      1.00000
     39     -12.9839      1.00000
     40     -12.9748      1.00000
     41     -12.6089      1.00000
     42     -12.6066      1.00000
     43     -12.2019      1.00000
     44     -11.5713      1.00000
     45     -11.5299      1.00000
     46     -11.3059      1.00000
     47     -11.2755      1.00000
     48     -11.1481      1.00000
     49     -10.6905      1.00000
     50     -10.6599      1.00000
     51     -10.5446      1.00000
     52     -10.3252      1.00000
     53     -10.3176      1.00000
     54     -10.1721      1.00000
     55     -10.1178      1.00000
     56     -10.1047      1.00000
     57      -9.8095      1.00000
     58      -9.7548      1.00000
     59      -9.7534      1.00000
     60      -9.7049      1.00000
     61      -9.7010      1.00000
     62      -9.6428      1.00000
     63      -9.3551      1.00000
     64      -9.3539      1.00000
     65      -9.3074      1.00000
     66      -9.0258      1.00000
     67      -8.9643      1.00000
     68      -8.9599      1.00000
     69      -8.7725      1.00000
     70      -8.5866      1.00000
     71      -8.5822      1.00000
     72      -8.4223      1.00000
     73      -8.3473      1.00000
     74      -8.3223      1.00000
     75      -8.3052      1.00000
     76      -8.2646      1.00000
     77      -8.2516      1.00000
     78      -8.2319      1.00000
     79      -7.9191      1.00000
     80      -7.7324      1.00000
     81      -7.3843      1.00000
     82      -7.3546      1.00000
     83      -7.3261      1.00000
     84      -7.2245      1.00000
     85      -7.1568      1.00000
     86      -7.0611      1.00000
     87      -6.9574      1.00000
     88      -6.9014      1.00000
     89      -6.6066      1.00000
     90      -6.5654      1.00000
     91      -6.2647      1.00000
     92      -5.9965      1.00000
     93      -5.9599      1.00000
     94      -5.6741      1.00000
     95      -5.6473      1.00000
     96      -5.3881      1.00000
     97      -5.3167      1.00000
     98      -5.2948      1.00000
     99      -5.2115      1.00000
    100      -5.1997      1.00000
    101      -4.5131      1.00000
    102      -4.3395      1.00000
    103      -3.9956      1.00000
    104      -3.8856      1.00000
    105      -3.7935      1.00000
    106      -3.4438      1.00000
    107      -2.0384      0.00000
    108      -1.8654      0.00000
    109      -1.2190      0.00000
    110      -1.1891      0.00000
    111      -1.0358      0.00000
    112      -0.7729      0.00000
    113      -0.6805      0.00000
    114      -0.6601      0.00000
    115      -0.6136      0.00000
    116      -0.1014      0.00000
    117       0.2179      0.00000
    118       0.2387      0.00000
    119       0.7816      0.00000
    120       0.9930      0.00000
    121       1.0759      0.00000
    122       1.2428      0.00000
    123       1.2530      0.00000
    124       1.3536      0.00000
    125       1.5799      0.00000
    126       1.5827      0.00000
    127       1.7153      0.00000
    128       1.8025      0.00000
    129       1.9613      0.00000
    130       1.9813      0.00000
    131       2.0431      0.00000
    132       2.2580      0.00000
    133       2.3340      0.00000
    134       2.4282      0.00000
    135       2.5520      0.00000
    136       2.6337      0.00000
    137       2.7273      0.00000
    138       2.7950      0.00000
    139       2.8523      0.00000
    140       2.8625      0.00000
    141       3.0332      0.00000
    142       3.1106      0.00000
    143       3.1670      0.00000
    144       3.2234      0.00000
    145       3.3712      0.00000
    146       3.4106      0.00000
    147       3.5103      0.00000
    148       3.5438      0.00000
    149       3.5888      0.00000
    150       3.6055      0.00000
    151       3.6534      0.00000
    152       3.7396      0.00000
    153       3.7502      0.00000
    154       3.7591      0.00000
    155       3.7751      0.00000
    156       3.8728      0.00000
    157       4.0273      0.00000
    158       4.0962      0.00000
    159       4.1732      0.00000
    160       4.2242      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4217      1.00000
      2     -21.5992      1.00000
      3     -21.4773      1.00000
      4     -21.4679      1.00000
      5     -21.4367      1.00000
      6     -21.4355      1.00000
      7     -21.4253      1.00000
      8     -19.7042      1.00000
      9     -19.6499      1.00000
     10     -19.6243      1.00000
     11     -19.6160      1.00000
     12     -19.6089      1.00000
     13     -19.6086      1.00000
     14     -18.7865      1.00000
     15     -18.7537      1.00000
     16     -18.7303      1.00000
     17     -18.7207      1.00000
     18     -18.7169      1.00000
     19     -18.7092      1.00000
     20     -16.6317      1.00000
     21     -16.6108      1.00000
     22     -16.5843      1.00000
     23     -16.5778      1.00000
     24     -16.5545      1.00000
     25     -16.5503      1.00000
     26     -15.6134      1.00000
     27     -15.5987      1.00000
     28     -15.5953      1.00000
     29     -15.5606      1.00000
     30     -15.5604      1.00000
     31     -15.5591      1.00000
     32     -14.2603      1.00000
     33     -14.2494      1.00000
     34     -14.2365      1.00000
     35     -14.2316      1.00000
     36     -14.2204      1.00000
     37     -14.2191      1.00000
     38     -11.9066      1.00000
     39     -11.8792      1.00000
     40     -11.8676      1.00000
     41     -11.8645      1.00000
     42     -11.8448      1.00000
     43     -11.8440      1.00000
     44     -11.7713      1.00000
     45     -11.7639      1.00000
     46     -11.7365      1.00000
     47     -11.7267      1.00000
     48     -11.7234      1.00000
     49     -11.7168      1.00000
     50     -10.6734      1.00000
     51     -10.3876      1.00000
     52     -10.3813      1.00000
     53     -10.3741      1.00000
     54     -10.3690      1.00000
     55     -10.3526      1.00000
     56     -10.3514      1.00000
     57      -9.9020      1.00000
     58      -9.4477      1.00000
     59      -9.4020      1.00000
     60      -9.3587      1.00000
     61      -9.3586      1.00000
     62      -9.3503      1.00000
     63      -9.1462      1.00000
     64      -9.1227      1.00000
     65      -9.1124      1.00000
     66      -9.0824      1.00000
     67      -9.0763      1.00000
     68      -9.0746      1.00000
     69      -9.0746      1.00000
     70      -9.0660      1.00000
     71      -9.0551      1.00000
     72      -9.0346      1.00000
     73      -9.0304      1.00000
     74      -9.0262      1.00000
     75      -8.1271      1.00000
     76      -7.7487      1.00000
     77      -7.4707      1.00000
     78      -7.4663      1.00000
     79      -7.4530      1.00000
     80      -7.4314      1.00000
     81      -7.4290      1.00000
     82      -7.4054      1.00000
     83      -7.3096      1.00000
     84      -7.2699      1.00000
     85      -7.2547      1.00000
     86      -7.2468      1.00000
     87      -7.1461      1.00000
     88      -7.0485      1.00000
     89      -6.4439      1.00000
     90      -6.4135      1.00000
     91      -6.3978      1.00000
     92      -6.3636      1.00000
     93      -6.3518      1.00000
     94      -6.3395      1.00000
     95      -5.9672      1.00000
     96      -5.9524      1.00000
     97      -4.8082      1.00000
     98      -4.5457      1.00000
     99      -4.4831      1.00000
    100      -4.4739      1.00000
    101      -4.3835      1.00000
    102      -4.3812      1.00000
    103      -4.2675      1.00000
    104      -4.1879      1.00000
    105      -3.7398      1.00000
    106      -3.4787      1.00000
    107      -1.8649      0.00000
    108      -1.6732      0.00000
    109      -1.6262      0.00000
    110      -1.5918      0.00000
    111      -1.5779      0.00000
    112      -1.5759      0.00000
    113      -0.4296      0.00000
    114       0.1408      0.00000
    115       0.1910      0.00000
    116       0.2547      0.00000
    117       0.2612      0.00000
    118       0.2701      0.00000
    119       0.4791      0.00000
    120       0.5596      0.00000
    121       1.2612      0.00000
    122       1.2957      0.00000
    123       1.5482      0.00000
    124       1.7686      0.00000
    125       1.7806      0.00000
    126       1.7836      0.00000
    127       1.7836      0.00000
    128       1.8294      0.00000
    129       1.9542      0.00000
    130       1.9686      0.00000
    131       1.9696      0.00000
    132       1.9849      0.00000
    133       1.9914      0.00000
    134       2.0890      0.00000
    135       2.2698      0.00000
    136       2.3414      0.00000
    137       2.6288      0.00000
    138       2.6302      0.00000
    139       2.6570      0.00000
    140       2.7107      0.00000
    141       2.9421      0.00000
    142       3.0282      0.00000
    143       3.0339      0.00000
    144       3.0374      0.00000
    145       3.0386      0.00000
    146       3.0437      0.00000
    147       3.1114      0.00000
    148       3.2833      0.00000
    149       3.4405      0.00000
    150       3.5182      0.00000
    151       3.8138      0.00000
    152       3.9257      0.00000
    153       3.9318      0.00000
    154       3.9339      0.00000
    155       3.9576      0.00000
    156       4.0030      0.00000
    157       4.1973      0.00000
    158       4.2678      0.00000
    159       4.2847      0.00000
    160       4.2888      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3850      1.00000
      2     -21.8261      1.00000
      3     -21.6341      1.00000
      4     -21.6062      1.00000
      5     -21.2707      1.00000
      6     -21.2311      1.00000
      7     -21.0523      1.00000
      8     -20.1639      1.00000
      9     -20.1254      1.00000
     10     -19.6062      1.00000
     11     -19.5950      1.00000
     12     -19.4128      1.00000
     13     -19.0859      1.00000
     14     -19.0589      1.00000
     15     -19.0449      1.00000
     16     -19.0377      1.00000
     17     -18.3587      1.00000
     18     -18.3497      1.00000
     19     -18.0148      1.00000
     20     -17.0660      1.00000
     21     -17.0270      1.00000
     22     -16.9425      1.00000
     23     -16.9386      1.00000
     24     -16.4669      1.00000
     25     -16.4650      1.00000
     26     -15.6136      1.00000
     27     -15.6047      1.00000
     28     -15.2513      1.00000
     29     -15.2396      1.00000
     30     -15.1805      1.00000
     31     -15.0948      1.00000
     32     -15.0675      1.00000
     33     -14.7000      1.00000
     34     -14.6936      1.00000
     35     -13.7287      1.00000
     36     -13.7206      1.00000
     37     -13.2318      1.00000
     38     -12.6128      1.00000
     39     -12.5827      1.00000
     40     -12.4525      1.00000
     41     -12.4443      1.00000
     42     -12.1106      1.00000
     43     -12.1031      1.00000
     44     -11.7184      1.00000
     45     -11.6875      1.00000
     46     -11.2377      1.00000
     47     -11.2253      1.00000
     48     -11.0170      1.00000
     49     -11.0033      1.00000
     50     -10.9265      1.00000
     51     -10.9049      1.00000
     52     -10.6283      1.00000
     53     -10.1538      1.00000
     54     -10.1471      1.00000
     55     -10.0887      1.00000
     56      -9.9958      1.00000
     57      -9.7031      1.00000
     58      -9.6900      1.00000
     59      -9.6533      1.00000
     60      -9.5894      1.00000
     61      -9.5821      1.00000
     62      -9.5564      1.00000
     63      -9.3083      1.00000
     64      -9.2951      1.00000
     65      -9.2723      1.00000
     66      -9.2396      1.00000
     67      -9.1336      1.00000
     68      -9.1156      1.00000
     69      -9.1050      1.00000
     70      -8.9363      1.00000
     71      -8.8759      1.00000
     72      -8.6086      1.00000
     73      -8.5918      1.00000
     74      -8.2343      1.00000
     75      -8.0979      1.00000
     76      -7.9123      1.00000
     77      -7.8676      1.00000
     78      -7.7708      1.00000
     79      -7.7538      1.00000
     80      -7.6887      1.00000
     81      -7.5613      1.00000
     82      -7.3383      1.00000
     83      -7.3201      1.00000
     84      -7.2025      1.00000
     85      -7.1223      1.00000
     86      -7.0293      1.00000
     87      -7.0168      1.00000
     88      -6.7023      1.00000
     89      -6.6766      1.00000
     90      -6.6385      1.00000
     91      -6.5967      1.00000
     92      -6.1141      1.00000
     93      -6.0628      1.00000
     94      -6.0333      1.00000
     95      -6.0118      1.00000
     96      -5.7814      1.00000
     97      -4.9749      1.00000
     98      -4.8334      1.00000
     99      -4.7468      1.00000
    100      -4.6785      1.00000
    101      -4.4698      1.00000
    102      -4.2041      1.00000
    103      -4.1742      1.00000
    104      -4.1284      1.00000
    105      -3.7302      1.00000
    106      -3.4890      1.00000
    107      -1.8724      0.00000
    108      -1.8109      0.00000
    109      -1.5265      0.00000
    110      -1.3808      0.00000
    111      -1.3227      0.00000
    112      -1.2891      0.00000
    113      -0.7205      0.00000
    114      -0.3771      0.00000
    115      -0.2550      0.00000
    116       0.0384      0.00000
    117       0.5651      0.00000
    118       0.6944      0.00000
    119       0.7464      0.00000
    120       1.0484      0.00000
    121       1.0970      0.00000
    122       1.1552      0.00000
    123       1.2288      0.00000
    124       1.3862      0.00000
    125       1.5330      0.00000
    126       1.5964      0.00000
    127       1.7200      0.00000
    128       1.7958      0.00000
    129       1.8524      0.00000
    130       1.8802      0.00000
    131       2.1004      0.00000
    132       2.2020      0.00000
    133       2.2473      0.00000
    134       2.3153      0.00000
    135       2.5224      0.00000
    136       2.5996      0.00000
    137       2.6045      0.00000
    138       2.7742      0.00000
    139       2.7865      0.00000
    140       2.8185      0.00000
    141       2.8209      0.00000
    142       2.8952      0.00000
    143       2.9407      0.00000
    144       3.0952      0.00000
    145       3.1634      0.00000
    146       3.3118      0.00000
    147       3.3433      0.00000
    148       3.4028      0.00000
    149       3.4611      0.00000
    150       3.5925      0.00000
    151       3.6335      0.00000
    152       3.6496      0.00000
    153       3.7044      0.00000
    154       3.9119      0.00000
    155       3.9611      0.00000
    156       4.0218      0.00000
    157       4.0702      0.00000
    158       4.2293      0.00000
    159       4.2462      0.00000
    160       4.2828      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2791      1.00000
      2     -22.0734      1.00000
      3     -21.7126      1.00000
      4     -21.6806      1.00000
      5     -20.9756      1.00000
      6     -20.9347      1.00000
      7     -20.6079      1.00000
      8     -20.5709      1.00000
      9     -20.5646      1.00000
     10     -20.0282      1.00000
     11     -19.5011      1.00000
     12     -19.4892      1.00000
     13     -19.3046      1.00000
     14     -19.2989      1.00000
     15     -18.4441      1.00000
     16     -18.4071      1.00000
     17     -17.9200      1.00000
     18     -17.9110      1.00000
     19     -17.7581      1.00000
     20     -17.7220      1.00000
     21     -17.4340      1.00000
     22     -17.4267      1.00000
     23     -17.3370      1.00000
     24     -16.4628      1.00000
     25     -16.4625      1.00000
     26     -15.9624      1.00000
     27     -15.4148      1.00000
     28     -15.4063      1.00000
     29     -15.0978      1.00000
     30     -15.0903      1.00000
     31     -14.8534      1.00000
     32     -14.8447      1.00000
     33     -14.2875      1.00000
     34     -14.2544      1.00000
     35     -13.4344      1.00000
     36     -13.4018      1.00000
     37     -13.1796      1.00000
     38     -13.1710      1.00000
     39     -12.9781      1.00000
     40     -12.9717      1.00000
     41     -12.6151      1.00000
     42     -12.6070      1.00000
     43     -12.1940      1.00000
     44     -11.5775      1.00000
     45     -11.5437      1.00000
     46     -11.3111      1.00000
     47     -11.2885      1.00000
     48     -11.1386      1.00000
     49     -10.6798      1.00000
     50     -10.6599      1.00000
     51     -10.5514      1.00000
     52     -10.3216      1.00000
     53     -10.3123      1.00000
     54     -10.1662      1.00000
     55     -10.1189      1.00000
     56     -10.1122      1.00000
     57      -9.7963      1.00000
     58      -9.7567      1.00000
     59      -9.7533      1.00000
     60      -9.7029      1.00000
     61      -9.6877      1.00000
     62      -9.6589      1.00000
     63      -9.3555      1.00000
     64      -9.3452      1.00000
     65      -9.3189      1.00000
     66      -9.0397      1.00000
     67      -8.9559      1.00000
     68      -8.9503      1.00000
     69      -8.7968      1.00000
     70      -8.5979      1.00000
     71      -8.5562      1.00000
     72      -8.3962      1.00000
     73      -8.3616      1.00000
     74      -8.3256      1.00000
     75      -8.3054      1.00000
     76      -8.2624      1.00000
     77      -8.2558      1.00000
     78      -8.2396      1.00000
     79      -7.9015      1.00000
     80      -7.6495      1.00000
     81      -7.5493      1.00000
     82      -7.3850      1.00000
     83      -7.3474      1.00000
     84      -7.2283      1.00000
     85      -7.0942      1.00000
     86      -7.0379      1.00000
     87      -6.9317      1.00000
     88      -6.8476      1.00000
     89      -6.6174      1.00000
     90      -6.5565      1.00000
     91      -6.2746      1.00000
     92      -6.0421      1.00000
     93      -5.9500      1.00000
     94      -5.6608      1.00000
     95      -5.6237      1.00000
     96      -5.4625      1.00000
     97      -5.3181      1.00000
     98      -5.2782      1.00000
     99      -5.2116      1.00000
    100      -5.1953      1.00000
    101      -4.5102      1.00000
    102      -4.2085      1.00000
    103      -4.0613      1.00000
    104      -3.9906      1.00000
    105      -3.6950      1.00000
    106      -3.4993      1.00000
    107      -1.9481      0.00000
    108      -1.8976      0.00000
    109      -1.3409      0.00000
    110      -1.0861      0.00000
    111      -1.0618      0.00000
    112      -0.8021      0.00000
    113      -0.6825      0.00000
    114      -0.6480      0.00000
    115      -0.6091      0.00000
    116      -0.1079      0.00000
    117       0.2131      0.00000
    118       0.3295      0.00000
    119       0.7048      0.00000
    120       0.8982      0.00000
    121       1.1252      0.00000
    122       1.1975      0.00000
    123       1.3343      0.00000
    124       1.4320      0.00000
    125       1.5523      0.00000
    126       1.5751      0.00000
    127       1.6920      0.00000
    128       1.8138      0.00000
    129       1.8872      0.00000
    130       2.0542      0.00000
    131       2.0976      0.00000
    132       2.3007      0.00000
    133       2.3523      0.00000
    134       2.4112      0.00000
    135       2.5644      0.00000
    136       2.6357      0.00000
    137       2.7171      0.00000
    138       2.7383      0.00000
    139       2.7906      0.00000
    140       2.8782      0.00000
    141       3.0386      0.00000
    142       3.0627      0.00000
    143       3.1777      0.00000
    144       3.2684      0.00000
    145       3.3672      0.00000
    146       3.4180      0.00000
    147       3.4367      0.00000
    148       3.5567      0.00000
    149       3.5756      0.00000
    150       3.5972      0.00000
    151       3.6576      0.00000
    152       3.6794      0.00000
    153       3.7610      0.00000
    154       3.7696      0.00000
    155       3.8050      0.00000
    156       3.8926      0.00000
    157       3.9272      0.00000
    158       4.0017      0.00000
    159       4.2182      0.00000
    160       4.2302      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3130      1.00000
      2     -21.9586      1.00000
      3     -21.8891      1.00000
      4     -21.3774      1.00000
      5     -21.3480      1.00000
      6     -20.8352      1.00000
      7     -20.7695      1.00000
      8     -20.6190      1.00000
      9     -20.0752      1.00000
     10     -20.0696      1.00000
     11     -19.7128      1.00000
     12     -19.6882      1.00000
     13     -18.9939      1.00000
     14     -18.9881      1.00000
     15     -18.6404      1.00000
     16     -18.6243      1.00000
     17     -18.4565      1.00000
     18     -17.6707      1.00000
     19     -17.6204      1.00000
     20     -17.6171      1.00000
     21     -17.5747      1.00000
     22     -17.1259      1.00000
     23     -17.1040      1.00000
     24     -16.9652      1.00000
     25     -16.0044      1.00000
     26     -15.9283      1.00000
     27     -15.5818      1.00000
     28     -15.5815      1.00000
     29     -15.2849      1.00000
     30     -14.8626      1.00000
     31     -14.8351      1.00000
     32     -14.5744      1.00000
     33     -14.5323      1.00000
     34     -14.1715      1.00000
     35     -14.1579      1.00000
     36     -13.1487      1.00000
     37     -13.0940      1.00000
     38     -13.0244      1.00000
     39     -13.0147      1.00000
     40     -12.7048      1.00000
     41     -12.7006      1.00000
     42     -12.3414      1.00000
     43     -12.3100      1.00000
     44     -11.6404      1.00000
     45     -11.6272      1.00000
     46     -11.5717      1.00000
     47     -10.9512      1.00000
     48     -10.9180      1.00000
     49     -10.6303      1.00000
     50     -10.6218      1.00000
     51     -10.5447      1.00000
     52     -10.5022      1.00000
     53     -10.5016      1.00000
     54     -10.4384      1.00000
     55     -10.3508      1.00000
     56     -10.0962      1.00000
     57      -9.8997      1.00000
     58      -9.5992      1.00000
     59      -9.5465      1.00000
     60      -9.4525      1.00000
     61      -9.4151      1.00000
     62      -9.4047      1.00000
     63      -9.3709      1.00000
     64      -9.3696      1.00000
     65      -9.2850      1.00000
     66      -9.1742      1.00000
     67      -9.1494      1.00000
     68      -9.1170      1.00000
     69      -8.8686      1.00000
     70      -8.8615      1.00000
     71      -8.8129      1.00000
     72      -8.5934      1.00000
     73      -8.4766      1.00000
     74      -8.2021      1.00000
     75      -8.1669      1.00000
     76      -8.0062      1.00000
     77      -7.9648      1.00000
     78      -7.8447      1.00000
     79      -7.8342      1.00000
     80      -7.7034      1.00000
     81      -7.6951      1.00000
     82      -7.6193      1.00000
     83      -7.4478      1.00000
     84      -7.2966      1.00000
     85      -7.2528      1.00000
     86      -6.9091      1.00000
     87      -6.8962      1.00000
     88      -6.5871      1.00000
     89      -6.5500      1.00000
     90      -6.4010      1.00000
     91      -6.2540      1.00000
     92      -6.2332      1.00000
     93      -6.2133      1.00000
     94      -6.0201      1.00000
     95      -5.5484      1.00000
     96      -5.4872      1.00000
     97      -5.3485      1.00000
     98      -5.2172      1.00000
     99      -4.9815      1.00000
    100      -4.7335      1.00000
    101      -4.6788      1.00000
    102      -4.3883      1.00000
    103      -4.2038      1.00000
    104      -3.8730      1.00000
    105      -3.5480      1.00000
    106      -3.5115      1.00000
    107      -2.2572      0.00000
    108      -1.4597      0.00000
    109      -1.3749      0.00000
    110      -1.2436      0.00000
    111      -1.0990      0.00000
    112      -0.9450      0.00000
    113      -0.8646      0.00000
    114      -0.8048      0.00000
    115      -0.1394      0.00000
    116       0.1055      0.00000
    117       0.2352      0.00000
    118       0.3766      0.00000
    119       0.6627      0.00000
    120       0.8358      0.00000
    121       0.9351      0.00000
    122       1.0739      0.00000
    123       1.2429      0.00000
    124       1.4566      0.00000
    125       1.5657      0.00000
    126       1.7648      0.00000
    127       1.7918      0.00000
    128       1.8644      0.00000
    129       1.9856      0.00000
    130       2.0425      0.00000
    131       2.1839      0.00000
    132       2.1874      0.00000
    133       2.4066      0.00000
    134       2.4272      0.00000
    135       2.5059      0.00000
    136       2.5974      0.00000
    137       2.6307      0.00000
    138       2.7067      0.00000
    139       2.7706      0.00000
    140       2.8519      0.00000
    141       2.9623      0.00000
    142       3.0794      0.00000
    143       3.1732      0.00000
    144       3.2049      0.00000
    145       3.2367      0.00000
    146       3.2999      0.00000
    147       3.3289      0.00000
    148       3.4697      0.00000
    149       3.5120      0.00000
    150       3.6952      0.00000
    151       3.7259      0.00000
    152       3.7265      0.00000
    153       3.8640      0.00000
    154       3.9070      0.00000
    155       3.9460      0.00000
    156       3.9699      0.00000
    157       4.0331      0.00000
    158       4.0470      0.00000
    159       4.0599      0.00000
    160       4.0960      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2062      1.00000
      2     -22.1129      1.00000
      3     -21.9525      1.00000
      4     -21.4006      1.00000
      5     -21.0458      1.00000
      6     -21.0096      1.00000
      7     -20.4971      1.00000
      8     -20.4574      1.00000
      9     -20.2906      1.00000
     10     -20.2712      1.00000
     11     -19.9549      1.00000
     12     -19.8890      1.00000
     13     -18.8808      1.00000
     14     -18.8118      1.00000
     15     -18.3494      1.00000
     16     -18.3027      1.00000
     17     -18.1506      1.00000
     18     -18.1332      1.00000
     19     -17.8235      1.00000
     20     -17.7857      1.00000
     21     -17.2496      1.00000
     22     -17.2424      1.00000
     23     -17.1612      1.00000
     24     -17.1325      1.00000
     25     -16.1054      1.00000
     26     -15.8843      1.00000
     27     -15.8678      1.00000
     28     -15.8348      1.00000
     29     -15.2343      1.00000
     30     -14.5556      1.00000
     31     -14.5268      1.00000
     32     -14.2787      1.00000
     33     -13.9610      1.00000
     34     -13.9529      1.00000
     35     -13.8188      1.00000
     36     -13.8037      1.00000
     37     -13.6141      1.00000
     38     -13.5696      1.00000
     39     -13.3654      1.00000
     40     -12.6305      1.00000
     41     -12.1819      1.00000
     42     -12.1327      1.00000
     43     -12.0713      1.00000
     44     -12.0189      1.00000
     45     -11.6663      1.00000
     46     -11.6528      1.00000
     47     -11.1417      1.00000
     48     -11.1193      1.00000
     49     -10.7969      1.00000
     50     -10.7333      1.00000
     51     -10.5271      1.00000
     52     -10.2080      1.00000
     53     -10.1995      1.00000
     54     -10.1607      1.00000
     55     -10.0165      1.00000
     56      -9.9996      1.00000
     57      -9.9879      1.00000
     58      -9.8038      1.00000
     59      -9.7888      1.00000
     60      -9.7651      1.00000
     61      -9.7568      1.00000
     62      -9.4579      1.00000
     63      -9.4154      1.00000
     64      -9.0806      1.00000
     65      -9.0686      1.00000
     66      -9.0386      1.00000
     67      -8.9573      1.00000
     68      -8.8742      1.00000
     69      -8.7118      1.00000
     70      -8.6950      1.00000
     71      -8.5690      1.00000
     72      -8.5467      1.00000
     73      -8.4989      1.00000
     74      -8.4585      1.00000
     75      -8.4550      1.00000
     76      -8.2584      1.00000
     77      -8.1225      1.00000
     78      -8.0406      1.00000
     79      -7.9139      1.00000
     80      -7.8617      1.00000
     81      -7.6140      1.00000
     82      -7.5500      1.00000
     83      -7.4878      1.00000
     84      -7.2684      1.00000
     85      -6.9937      1.00000
     86      -6.9218      1.00000
     87      -6.8801      1.00000
     88      -6.5363      1.00000
     89      -6.4910      1.00000
     90      -6.4603      1.00000
     91      -6.4099      1.00000
     92      -5.9822      1.00000
     93      -5.8959      1.00000
     94      -5.7820      1.00000
     95      -5.7602      1.00000
     96      -5.4311      1.00000
     97      -5.3287      1.00000
     98      -5.2287      1.00000
     99      -5.2158      1.00000
    100      -5.1902      1.00000
    101      -4.6935      1.00000
    102      -4.4227      1.00000
    103      -4.2103      1.00000
    104      -3.8358      1.00000
    105      -3.5308      1.00000
    106      -3.2755      1.00000
    107      -2.5318      0.00000
    108      -1.4603      0.00000
    109      -1.2691      0.00000
    110      -1.2043      0.00000
    111      -1.1748      0.00000
    112      -0.7221      0.00000
    113      -0.5060      0.00000
    114      -0.4146      0.00000
    115      -0.3435      0.00000
    116      -0.1474      0.00000
    117      -0.0045      0.00000
    118       0.1951      0.00000
    119       0.5587      0.00000
    120       0.6107      0.00000
    121       0.8056      0.00000
    122       0.9194      0.00000
    123       1.1432      0.00000
    124       1.5075      0.00000
    125       1.6469      0.00000
    126       1.8704      0.00000
    127       1.9383      0.00000
    128       2.0933      0.00000
    129       2.1148      0.00000
    130       2.1312      0.00000
    131       2.1675      0.00000
    132       2.2756      0.00000
    133       2.3102      0.00000
    134       2.4624      0.00000
    135       2.5785      0.00000
    136       2.6654      0.00000
    137       2.8596      0.00000
    138       2.8701      0.00000
    139       2.9029      0.00000
    140       2.9934      0.00000
    141       3.0256      0.00000
    142       3.1461      0.00000
    143       3.1499      0.00000
    144       3.2216      0.00000
    145       3.2749      0.00000
    146       3.2845      0.00000
    147       3.3052      0.00000
    148       3.3522      0.00000
    149       3.4318      0.00000
    150       3.4504      0.00000
    151       3.5600      0.00000
    152       3.6152      0.00000
    153       3.6691      0.00000
    154       3.7100      0.00000
    155       3.7871      0.00000
    156       3.9018      0.00000
    157       3.9314      0.00000
    158       4.0116      0.00000
    159       4.1477      0.00000
    160       4.2394      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3129      1.00000
      2     -21.9601      1.00000
      3     -21.8877      1.00000
      4     -21.3803      1.00000
      5     -21.3437      1.00000
      6     -20.8360      1.00000
      7     -20.7695      1.00000
      8     -20.6218      1.00000
      9     -20.0855      1.00000
     10     -20.0565      1.00000
     11     -19.7154      1.00000
     12     -19.6864      1.00000
     13     -19.0067      1.00000
     14     -18.9752      1.00000
     15     -18.6457      1.00000
     16     -18.6128      1.00000
     17     -18.4592      1.00000
     18     -17.6587      1.00000
     19     -17.6473      1.00000
     20     -17.6093      1.00000
     21     -17.5771      1.00000
     22     -17.1348      1.00000
     23     -17.0946      1.00000
     24     -16.9622      1.00000
     25     -16.0053      1.00000
     26     -15.9187      1.00000
     27     -15.5976      1.00000
     28     -15.5727      1.00000
     29     -15.2784      1.00000
     30     -14.8752      1.00000
     31     -14.8272      1.00000
     32     -14.5752      1.00000
     33     -14.5374      1.00000
     34     -14.1597      1.00000
     35     -14.1560      1.00000
     36     -13.1616      1.00000
     37     -13.0946      1.00000
     38     -13.0250      1.00000
     39     -13.0183      1.00000
     40     -12.7193      1.00000
     41     -12.6947      1.00000
     42     -12.3374      1.00000
     43     -12.3088      1.00000
     44     -11.6285      1.00000
     45     -11.6196      1.00000
     46     -11.5667      1.00000
     47     -10.9392      1.00000
     48     -10.9181      1.00000
     49     -10.6700      1.00000
     50     -10.5919      1.00000
     51     -10.5712      1.00000
     52     -10.4955      1.00000
     53     -10.4869      1.00000
     54     -10.4400      1.00000
     55     -10.3590      1.00000
     56     -10.1006      1.00000
     57      -9.8940      1.00000
     58      -9.6120      1.00000
     59      -9.5549      1.00000
     60      -9.4531      1.00000
     61      -9.4141      1.00000
     62      -9.4068      1.00000
     63      -9.3818      1.00000
     64      -9.3738      1.00000
     65      -9.2641      1.00000
     66      -9.1629      1.00000
     67      -9.1388      1.00000
     68      -9.1133      1.00000
     69      -8.8672      1.00000
     70      -8.8524      1.00000
     71      -8.8004      1.00000
     72      -8.5942      1.00000
     73      -8.5249      1.00000
     74      -8.1924      1.00000
     75      -8.1669      1.00000
     76      -8.0735      1.00000
     77      -7.8601      1.00000
     78      -7.8390      1.00000
     79      -7.8244      1.00000
     80      -7.7134      1.00000
     81      -7.6967      1.00000
     82      -7.5940      1.00000
     83      -7.5302      1.00000
     84      -7.3473      1.00000
     85      -7.1670      1.00000
     86      -6.9067      1.00000
     87      -6.8931      1.00000
     88      -6.5891      1.00000
     89      -6.5510      1.00000
     90      -6.4109      1.00000
     91      -6.2999      1.00000
     92      -6.2452      1.00000
     93      -6.1987      1.00000
     94      -6.0038      1.00000
     95      -5.5309      1.00000
     96      -5.4667      1.00000
     97      -5.3142      1.00000
     98      -5.2100      1.00000
     99      -5.0464      1.00000
    100      -4.7225      1.00000
    101      -4.6727      1.00000
    102      -4.4250      1.00000
    103      -4.1952      1.00000
    104      -3.8443      1.00000
    105      -3.6353      1.00000
    106      -3.4164      1.00000
    107      -2.2945      0.00000
    108      -1.5118      0.00000
    109      -1.2723      0.00000
    110      -1.2641      0.00000
    111      -1.0353      0.00000
    112      -0.9824      0.00000
    113      -0.8704      0.00000
    114      -0.8024      0.00000
    115      -0.2615      0.00000
    116       0.2033      0.00000
    117       0.2375      0.00000
    118       0.3607      0.00000
    119       0.7008      0.00000
    120       0.8903      0.00000
    121       0.9230      0.00000
    122       1.0497      0.00000
    123       1.1767      0.00000
    124       1.5184      0.00000
    125       1.5756      0.00000
    126       1.7144      0.00000
    127       1.7756      0.00000
    128       1.8278      0.00000
    129       1.9510      0.00000
    130       2.0013      0.00000
    131       2.1723      0.00000
    132       2.2787      0.00000
    133       2.4069      0.00000
    134       2.4296      0.00000
    135       2.5064      0.00000
    136       2.5991      0.00000
    137       2.6155      0.00000
    138       2.7097      0.00000
    139       2.7496      0.00000
    140       2.8802      0.00000
    141       3.0469      0.00000
    142       3.0776      0.00000
    143       3.1747      0.00000
    144       3.2234      0.00000
    145       3.2332      0.00000
    146       3.2951      0.00000
    147       3.3356      0.00000
    148       3.4605      0.00000
    149       3.5325      0.00000
    150       3.6982      0.00000
    151       3.7145      0.00000
    152       3.7524      0.00000
    153       3.8349      0.00000
    154       3.8814      0.00000
    155       3.9336      0.00000
    156       3.9752      0.00000
    157       3.9859      0.00000
    158       4.0231      0.00000
    159       4.0366      0.00000
    160       4.1016      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3850      1.00000
      2     -21.8268      1.00000
      3     -21.6367      1.00000
      4     -21.6018      1.00000
      5     -21.2744      1.00000
      6     -21.2276      1.00000
      7     -21.0532      1.00000
      8     -20.1683      1.00000
      9     -20.1224      1.00000
     10     -19.6119      1.00000
     11     -19.5852      1.00000
     12     -19.4144      1.00000
     13     -19.0921      1.00000
     14     -19.0521      1.00000
     15     -19.0477      1.00000
     16     -19.0361      1.00000
     17     -18.3631      1.00000
     18     -18.3430      1.00000
     19     -18.0175      1.00000
     20     -17.0731      1.00000
     21     -17.0248      1.00000
     22     -16.9478      1.00000
     23     -16.9335      1.00000
     24     -16.4698      1.00000
     25     -16.4579      1.00000
     26     -15.6042      1.00000
     27     -15.6036      1.00000
     28     -15.2491      1.00000
     29     -15.2367      1.00000
     30     -15.1931      1.00000
     31     -15.1019      1.00000
     32     -15.0689      1.00000
     33     -14.6936      1.00000
     34     -14.6925      1.00000
     35     -13.7216      1.00000
     36     -13.7213      1.00000
     37     -13.2393      1.00000
     38     -12.6261      1.00000
     39     -12.5817      1.00000
     40     -12.4547      1.00000
     41     -12.4491      1.00000
     42     -12.1042      1.00000
     43     -12.0990      1.00000
     44     -11.7130      1.00000
     45     -11.6741      1.00000
     46     -11.2441      1.00000
     47     -11.2227      1.00000
     48     -11.0199      1.00000
     49     -11.0081      1.00000
     50     -10.9222      1.00000
     51     -10.8932      1.00000
     52     -10.6345      1.00000
     53     -10.1735      1.00000
     54     -10.1503      1.00000
     55     -10.0906      1.00000
     56      -9.9902      1.00000
     57      -9.6969      1.00000
     58      -9.6895      1.00000
     59      -9.6673      1.00000
     60      -9.5879      1.00000
     61      -9.5642      1.00000
     62      -9.5499      1.00000
     63      -9.3153      1.00000
     64      -9.3040      1.00000
     65      -9.2816      1.00000
     66      -9.2326      1.00000
     67      -9.1207      1.00000
     68      -9.1158      1.00000
     69      -9.1125      1.00000
     70      -8.9371      1.00000
     71      -8.8653      1.00000
     72      -8.6017      1.00000
     73      -8.5833      1.00000
     74      -8.2696      1.00000
     75      -8.1094      1.00000
     76      -7.8596      1.00000
     77      -7.8418      1.00000
     78      -7.7905      1.00000
     79      -7.7676      1.00000
     80      -7.7596      1.00000
     81      -7.4483      1.00000
     82      -7.3391      1.00000
     83      -7.3275      1.00000
     84      -7.2625      1.00000
     85      -7.1582      1.00000
     86      -7.0075      1.00000
     87      -6.9859      1.00000
     88      -6.7148      1.00000
     89      -6.6874      1.00000
     90      -6.6313      1.00000
     91      -6.5894      1.00000
     92      -6.1261      1.00000
     93      -6.0556      1.00000
     94      -6.0431      1.00000
     95      -6.0240      1.00000
     96      -5.7492      1.00000
     97      -4.9756      1.00000
     98      -4.8395      1.00000
     99      -4.7102      1.00000
    100      -4.6751      1.00000
    101      -4.4846      1.00000
    102      -4.3527      1.00000
    103      -4.1111      1.00000
    104      -4.0556      1.00000
    105      -3.7555      1.00000
    106      -3.4663      1.00000
    107      -1.9539      0.00000
    108      -1.7726      0.00000
    109      -1.4813      0.00000
    110      -1.3562      0.00000
    111      -1.3384      0.00000
    112      -1.2956      0.00000
    113      -0.6836      0.00000
    114      -0.4732      0.00000
    115      -0.2359      0.00000
    116       0.0535      0.00000
    117       0.5992      0.00000
    118       0.6909      0.00000
    119       0.7699      0.00000
    120       1.0212      0.00000
    121       1.0923      0.00000
    122       1.1763      0.00000
    123       1.2559      0.00000
    124       1.3393      0.00000
    125       1.4465      0.00000
    126       1.6115      0.00000
    127       1.7490      0.00000
    128       1.8445      0.00000
    129       1.8535      0.00000
    130       1.8923      0.00000
    131       2.0414      0.00000
    132       2.2246      0.00000
    133       2.2505      0.00000
    134       2.3004      0.00000
    135       2.4836      0.00000
    136       2.5922      0.00000
    137       2.6362      0.00000
    138       2.7690      0.00000
    139       2.7705      0.00000
    140       2.8296      0.00000
    141       2.8349      0.00000
    142       2.8443      0.00000
    143       2.9329      0.00000
    144       3.1028      0.00000
    145       3.3130      0.00000
    146       3.3410      0.00000
    147       3.3779      0.00000
    148       3.4020      0.00000
    149       3.4201      0.00000
    150       3.5713      0.00000
    151       3.6161      0.00000
    152       3.6727      0.00000
    153       3.7296      0.00000
    154       3.8976      0.00000
    155       3.9342      0.00000
    156       3.9476      0.00000
    157       4.1108      0.00000
    158       4.2033      0.00000
    159       4.2480      0.00000
    160       4.3151      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2055      1.00000
      2     -22.1144      1.00000
      3     -21.9518      1.00000
      4     -21.3997      1.00000
      5     -21.0423      1.00000
      6     -21.0140      1.00000
      7     -20.4922      1.00000
      8     -20.4622      1.00000
      9     -20.2838      1.00000
     10     -20.2818      1.00000
     11     -19.9517      1.00000
     12     -19.8883      1.00000
     13     -18.8782      1.00000
     14     -18.8103      1.00000
     15     -18.3373      1.00000
     16     -18.3179      1.00000
     17     -18.1463      1.00000
     18     -18.1386      1.00000
     19     -17.8153      1.00000
     20     -17.7969      1.00000
     21     -17.2548      1.00000
     22     -17.2353      1.00000
     23     -17.1636      1.00000
     24     -17.1296      1.00000
     25     -16.1152      1.00000
     26     -15.8753      1.00000
     27     -15.8642      1.00000
     28     -15.8353      1.00000
     29     -15.2330      1.00000
     30     -14.5454      1.00000
     31     -14.5270      1.00000
     32     -14.2769      1.00000
     33     -13.9775      1.00000
     34     -13.9537      1.00000
     35     -13.8254      1.00000
     36     -13.8031      1.00000
     37     -13.6021      1.00000
     38     -13.5766      1.00000
     39     -13.3670      1.00000
     40     -12.6372      1.00000
     41     -12.1664      1.00000
     42     -12.1398      1.00000
     43     -12.0620      1.00000
     44     -12.0148      1.00000
     45     -11.6704      1.00000
     46     -11.6658      1.00000
     47     -11.1327      1.00000
     48     -11.1215      1.00000
     49     -10.7818      1.00000
     50     -10.7252      1.00000
     51     -10.5339      1.00000
     52     -10.2117      1.00000
     53     -10.2056      1.00000
     54     -10.1667      1.00000
     55     -10.0241      1.00000
     56      -9.9921      1.00000
     57      -9.9910      1.00000
     58      -9.8080      1.00000
     59      -9.7994      1.00000
     60      -9.7645      1.00000
     61      -9.7560      1.00000
     62      -9.4442      1.00000
     63      -9.4139      1.00000
     64      -9.0865      1.00000
     65      -9.0485      1.00000
     66      -9.0236      1.00000
     67      -8.9673      1.00000
     68      -8.8953      1.00000
     69      -8.7123      1.00000
     70      -8.7031      1.00000
     71      -8.5515      1.00000
     72      -8.5412      1.00000
     73      -8.4761      1.00000
     74      -8.4594      1.00000
     75      -8.4564      1.00000
     76      -8.3071      1.00000
     77      -8.0938      1.00000
     78      -8.0871      1.00000
     79      -7.9296      1.00000
     80      -7.8296      1.00000
     81      -7.5976      1.00000
     82      -7.5330      1.00000
     83      -7.4384      1.00000
     84      -7.3161      1.00000
     85      -7.0011      1.00000
     86      -6.9257      1.00000
     87      -6.8882      1.00000
     88      -6.5233      1.00000
     89      -6.5110      1.00000
     90      -6.4761      1.00000
     91      -6.4173      1.00000
     92      -5.9273      1.00000
     93      -5.9058      1.00000
     94      -5.7881      1.00000
     95      -5.7738      1.00000
     96      -5.3703      1.00000
     97      -5.3633      1.00000
     98      -5.2223      1.00000
     99      -5.2146      1.00000
    100      -5.1975      1.00000
    101      -4.7192      1.00000
    102      -4.4434      1.00000
    103      -4.1913      1.00000
    104      -3.8220      1.00000
    105      -3.5670      1.00000
    106      -3.2203      1.00000
    107      -2.5653      0.00000
    108      -1.4659      0.00000
    109      -1.2720      0.00000
    110      -1.1867      0.00000
    111      -1.1836      0.00000
    112      -0.6471      0.00000
    113      -0.5545      0.00000
    114      -0.4167      0.00000
    115      -0.3479      0.00000
    116      -0.0801      0.00000
    117      -0.0682      0.00000
    118       0.1255      0.00000
    119       0.5910      0.00000
    120       0.6265      0.00000
    121       0.8673      0.00000
    122       0.9955      0.00000
    123       1.0144      0.00000
    124       1.5043      0.00000
    125       1.6987      0.00000
    126       1.7819      0.00000
    127       1.8782      0.00000
    128       2.0921      0.00000
    129       2.1241      0.00000
    130       2.1822      0.00000
    131       2.2078      0.00000
    132       2.2454      0.00000
    133       2.3295      0.00000
    134       2.4967      0.00000
    135       2.5026      0.00000
    136       2.6763      0.00000
    137       2.8439      0.00000
    138       2.8538      0.00000
    139       2.9590      0.00000
    140       2.9798      0.00000
    141       3.0414      0.00000
    142       3.1448      0.00000
    143       3.1607      0.00000
    144       3.2423      0.00000
    145       3.2491      0.00000
    146       3.2811      0.00000
    147       3.3071      0.00000
    148       3.3628      0.00000
    149       3.4230      0.00000
    150       3.5569      0.00000
    151       3.5743      0.00000
    152       3.6510      0.00000
    153       3.6552      0.00000
    154       3.6733      0.00000
    155       3.7052      0.00000
    156       3.9058      0.00000
    157       3.9554      0.00000
    158       4.0471      0.00000
    159       4.0918      0.00000
    160       4.1972      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2789      1.00000
      2     -22.0743      1.00000
      3     -21.7153      1.00000
      4     -21.6763      1.00000
      5     -20.9787      1.00000
      6     -20.9311      1.00000
      7     -20.6077      1.00000
      8     -20.5765      1.00000
      9     -20.5621      1.00000
     10     -20.0303      1.00000
     11     -19.5084      1.00000
     12     -19.4778      1.00000
     13     -19.3064      1.00000
     14     -19.2931      1.00000
     15     -18.4485      1.00000
     16     -18.4057      1.00000
     17     -17.9245      1.00000
     18     -17.9037      1.00000
     19     -17.7658      1.00000
     20     -17.7211      1.00000
     21     -17.4391      1.00000
     22     -17.4202      1.00000
     23     -17.3408      1.00000
     24     -16.4652      1.00000
     25     -16.4550      1.00000
     26     -15.9700      1.00000
     27     -15.4054      1.00000
     28     -15.4044      1.00000
     29     -15.0907      1.00000
     30     -15.0877      1.00000
     31     -14.8545      1.00000
     32     -14.8418      1.00000
     33     -14.2995      1.00000
     34     -14.2557      1.00000
     35     -13.4465      1.00000
     36     -13.4025      1.00000
     37     -13.1725      1.00000
     38     -13.1709      1.00000
     39     -12.9839      1.00000
     40     -12.9748      1.00000
     41     -12.6089      1.00000
     42     -12.6066      1.00000
     43     -12.2019      1.00000
     44     -11.5713      1.00000
     45     -11.5299      1.00000
     46     -11.3059      1.00000
     47     -11.2755      1.00000
     48     -11.1481      1.00000
     49     -10.6905      1.00000
     50     -10.6599      1.00000
     51     -10.5446      1.00000
     52     -10.3252      1.00000
     53     -10.3176      1.00000
     54     -10.1721      1.00000
     55     -10.1178      1.00000
     56     -10.1047      1.00000
     57      -9.8095      1.00000
     58      -9.7548      1.00000
     59      -9.7534      1.00000
     60      -9.7049      1.00000
     61      -9.7010      1.00000
     62      -9.6428      1.00000
     63      -9.3551      1.00000
     64      -9.3539      1.00000
     65      -9.3074      1.00000
     66      -9.0258      1.00000
     67      -8.9643      1.00000
     68      -8.9599      1.00000
     69      -8.7725      1.00000
     70      -8.5866      1.00000
     71      -8.5822      1.00000
     72      -8.4223      1.00000
     73      -8.3473      1.00000
     74      -8.3223      1.00000
     75      -8.3052      1.00000
     76      -8.2646      1.00000
     77      -8.2516      1.00000
     78      -8.2319      1.00000
     79      -7.9191      1.00000
     80      -7.7324      1.00000
     81      -7.3843      1.00000
     82      -7.3546      1.00000
     83      -7.3261      1.00000
     84      -7.2245      1.00000
     85      -7.1568      1.00000
     86      -7.0611      1.00000
     87      -6.9574      1.00000
     88      -6.9014      1.00000
     89      -6.6066      1.00000
     90      -6.5654      1.00000
     91      -6.2647      1.00000
     92      -5.9965      1.00000
     93      -5.9599      1.00000
     94      -5.6741      1.00000
     95      -5.6473      1.00000
     96      -5.3881      1.00000
     97      -5.3167      1.00000
     98      -5.2948      1.00000
     99      -5.2115      1.00000
    100      -5.1997      1.00000
    101      -4.5131      1.00000
    102      -4.3395      1.00000
    103      -3.9956      1.00000
    104      -3.8856      1.00000
    105      -3.7935      1.00000
    106      -3.4438      1.00000
    107      -2.0384      0.00000
    108      -1.8654      0.00000
    109      -1.2190      0.00000
    110      -1.1891      0.00000
    111      -1.0358      0.00000
    112      -0.7729      0.00000
    113      -0.6805      0.00000
    114      -0.6601      0.00000
    115      -0.6136      0.00000
    116      -0.1014      0.00000
    117       0.2179      0.00000
    118       0.2387      0.00000
    119       0.7816      0.00000
    120       0.9930      0.00000
    121       1.0759      0.00000
    122       1.2428      0.00000
    123       1.2530      0.00000
    124       1.3536      0.00000
    125       1.5799      0.00000
    126       1.5827      0.00000
    127       1.7153      0.00000
    128       1.8025      0.00000
    129       1.9613      0.00000
    130       1.9813      0.00000
    131       2.0431      0.00000
    132       2.2580      0.00000
    133       2.3340      0.00000
    134       2.4282      0.00000
    135       2.5521      0.00000
    136       2.6337      0.00000
    137       2.7273      0.00000
    138       2.7949      0.00000
    139       2.8523      0.00000
    140       2.8626      0.00000
    141       3.0332      0.00000
    142       3.1106      0.00000
    143       3.1670      0.00000
    144       3.2234      0.00000
    145       3.3712      0.00000
    146       3.4107      0.00000
    147       3.5103      0.00000
    148       3.5438      0.00000
    149       3.5888      0.00000
    150       3.6055      0.00000
    151       3.6535      0.00000
    152       3.7396      0.00000
    153       3.7502      0.00000
    154       3.7591      0.00000
    155       3.7751      0.00000
    156       3.8728      0.00000
    157       4.0274      0.00000
    158       4.0962      0.00000
    159       4.1732      0.00000
    160       4.2241      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0453   -7.3895    4.1986   -1.2762   -0.2388   17.6029    0.1479   -0.5327    0.6340   -0.4649
x    -3.0902   -0.0374   -0.0632    0.0617   -0.0090   -2.9780   -0.0112   -0.0070    0.0049    0.0016
x    -0.0969    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0453    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0937   -0.0088    0.0376    0.0376
y    -0.0455   -3.2459   -0.5384   -0.1634   -1.1823   -0.6055
z   204.0453    1.1273   -0.2799    0.0411    0.0092    0.0615    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0774    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1167
z    -0.2846    0.1862   -0.0384    0.0475   -0.1046    0.0013
 total charge-density along one line
x   212.0000  -10.2197    6.1467   -2.0861   -0.4746   19.5200   -0.9953    0.4740   -0.0447   -0.1262
x    -2.6441   -0.0277   -0.0611    0.0846   -0.0532   -2.2254   -0.0251   -0.0026    0.0052    0.0021
x    -0.0900    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2197    6.1467   -2.0861   -0.4746   19.5200   -0.9953    0.4740   -0.0447   -0.1262
y    -2.6441   -0.0277   -0.0611    0.0846   -0.0532   -2.2254   -0.0251   -0.0026    0.0052    0.0021
y    -0.0900    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4938  189.2922 -170.3539  153.6103 -139.3674  125.3421 -110.0195   93.8739  -78.2667
z    64.0669  -51.4247   40.3676  -31.1662   24.0707  -18.8894   14.9814  -11.6779    8.6839   -6.0972
z     4.1116   -2.7425    1.8078   -1.1002    0.5315   -0.1204   -0.1167    0.2320   -0.3118    0.4011
z    -0.4771    0.4939   -0.4410    0.3559   -0.2865    0.2510   -0.2329    0.2083   -0.1707    0.1316
z    -0.1035    0.0878   -0.0766    0.0636   -0.0491    0.0374   -0.0308    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.842   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.103   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.157   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.836  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.842   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.103   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.157   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.836  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.050   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.312   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.050   0.000   1.796   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.031   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.312   0.000   0.630   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.312   0.000   0.000   0.158   0.000  -0.191   0.000   0.000   0.000   0.010   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.415   0.000   0.077   0.585  -0.239   0.000   0.057   0.000   0.000
  0.000  -0.312   0.000   0.630   0.000   0.000  -0.191   0.000   0.379   0.000   0.000   0.000  -0.051   0.000   0.069   0.006
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.041   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.369  -0.420   0.000   0.282   0.000   0.000
 -0.017   0.000  -0.031   0.000   0.010   0.082   0.000  -0.239   0.000  -0.047  -0.420   0.176   0.000  -0.033   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.010   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.057   0.000   0.053   0.282  -0.033   0.000   0.265   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.263   8.029   8.936
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.647
  6        0.863   1.782   0.000   2.645
  7        0.864   1.783   0.000   2.646
  8        0.864   1.782   0.000   2.645
  9        0.864   1.783   0.000   2.646
 10        0.864   1.784   0.000   2.648
 11        0.864   1.782   0.000   2.646
 12        0.863   1.784   0.000   2.647
 13        0.864   1.782   0.000   2.646
 14        0.864   1.783   0.000   2.647
 15        0.864   1.783   0.000   2.647
 16        0.864   1.773   0.000   2.637
 17        0.860   1.780   0.000   2.639
 18        0.863   1.785   0.000   2.648
 19        0.863   1.782   0.000   2.645
 20        0.864   1.782   0.000   2.646
 21        0.864   1.781   0.000   2.644
 22        0.864   1.770   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.782   0.000   2.646
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.644
 27        0.864   1.783   0.000   2.646
 28        0.864   1.784   0.000   2.647
 29        0.864   1.782   0.000   2.646
 30        0.864   1.784   0.000   2.647
 31        0.864   1.783   0.000   2.646
 32        0.864   1.781   0.000   2.644
 33        0.864   1.781   0.000   2.645
 34        0.863   1.782   0.000   2.645
 35        0.864   1.781   0.000   2.645
 36        0.864   1.770   0.000   2.634
 37        0.864   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.646
 39        0.864   1.783   0.000   2.647
 40        0.863   1.785   0.000   2.648
 41        0.860   1.780   0.000   2.639
 42        0.864   1.773   0.000   2.637
 43        0.864   1.783   0.000   2.647
 44        0.864   1.783   0.000   2.646
 45        0.864   1.782   0.000   2.646
 46        0.863   1.784   0.000   2.647
 47        0.864   1.782   0.000   2.646
 48        0.864   1.784   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.645
 51        0.864   1.783   0.000   2.646
 52        0.863   1.782   0.000   2.645
 53        0.864   1.783   0.000   2.647
------------------------------------------------
tot       44.859  89.392   8.029 142.279
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time   91.51: CPU time   46.16
    FORLOC:  VPU time    1.10: CPU time    1.09
    FORNL :  VPU time  363.71: CPU time  182.29
    STRESS:  VPU time 1094.74: CPU time  549.89
    FORCOR:  VPU time    7.41: CPU time    7.41
    FORHAR:  VPU time    1.98: CPU time    1.97
    MIXING:  VPU time    0.13: CPU time    0.14
 d Force =-0.1118031E-04[-0.126E-04,-0.975E-05]  d Energy = 0.4817321E-06-0.117E-04
 d Force = 0.6683566E-02[ 0.668E-02, 0.669E-02]  d Ewald  =-0.1152330E+00 0.122E+00


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.725799 eV

  energy  without entropy=     -471.725799  energy(sigma->0) =     -471.725799
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40798.44  40751.79 -47494.60    -40.40      0.00      0.00
  Hartree  40223.85  40204.68 -39482.33    -16.60      0.00      0.00
  E(xc)     -779.33   -779.63   -807.26     -0.26      0.00      0.00
  Local   -83306.48 -83249.91  84291.98     48.99      0.00      0.00
  n-local   -216.57   -215.58   -203.24      0.59      0.00      0.00
  augment     20.07     22.07     17.82      1.73      0.00      0.00
  Kinetic   3161.02   3175.75   3583.51      4.41      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -1.33     -0.63     -0.18      0.61      0.00      0.00
  in kB       -0.81     -0.38     -0.11      0.37      0.00      0.00
  external pressure =       -0.43 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.350715581 -0.002601353  0.000000000     0.080976820  0.046774800  0.000000000
    -6.177617272 10.694728846  0.000000000     0.000019697  0.093515384  0.000000000
     0.000000000  0.000000000 19.974499663     0.000000000  0.000000000  0.050063832

  length of vectors
    12.350715855 12.350715779 19.974499663     0.093515386  0.093515386  0.050063832


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.579E-05 -.483E-04 -.951E+03   0.451E-05 -.279E-04 0.960E+03   0.169E-20 -.169E-20 -.869E+01   -.664E-08 0.446E-08 -.172E-02
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.892E+00 -.253E+01   0.153E-03 -.893E-04 -.548E-03
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.892E+00 -.253E+01   -.153E-03 0.893E-04 -.548E-03
   -.214E+01 0.124E+01 0.163E+02   0.214E+01 -.123E+01 -.163E+02   -.817E-02 0.472E-02 -.228E-01   -.207E-03 0.117E-03 -.730E-04
   0.612E+01 0.687E+01 0.194E+02   -.613E+01 -.689E+01 -.193E+02   -.516E-02 0.249E-01 -.278E-01   -.523E-03 0.382E-03 -.100E-03
   0.111E+02 0.514E+01 0.161E+02   -.112E+02 -.515E+01 -.161E+02   0.163E-01 0.962E-02 -.496E-01   -.992E-03 0.669E-03 0.130E-03
   0.465E+01 -.856E+00 0.125E+02   -.468E+01 0.870E+00 -.125E+02   0.994E-02 -.486E-02 -.201E-01   -.376E-03 0.356E-03 0.301E-03
   -.317E+01 -.248E+01 0.126E+02   0.316E+01 0.249E+01 -.126E+02   -.462E-02 0.444E-02 -.126E-01   -.960E-04 0.540E-04 0.127E-03
   0.569E+00 0.398E+01 0.126E+02   -.576E+00 -.398E+01 -.126E+02   -.616E-02 0.178E-02 -.126E-01   -.100E-03 0.503E-04 0.124E-03
   0.236E+01 0.189E+02 0.240E+02   -.237E+01 -.190E+02 -.240E+02   -.810E-02 0.106E+00 -.472E-01   -.360E-03 0.487E-04 -.166E-04
   0.226E+02 0.214E+02 0.422E+02   -.227E+02 -.217E+02 -.422E+02   0.745E-01 0.266E+00 -.609E-01   -.341E-03 0.940E-03 0.144E-03
   0.268E+02 -.342E+01 0.256E+02   -.271E+02 0.354E+01 -.256E+02   0.263E+00 -.105E+00 -.338E-01   -.465E-03 0.801E-03 0.488E-03
   0.908E+01 -.524E+01 0.136E+02   -.913E+01 0.527E+01 -.136E+02   0.362E-01 -.209E-01 -.131E-01   -.188E-03 0.103E-03 0.388E-03
   0.307E+01 -.360E+01 0.125E+02   -.309E+01 0.362E+01 -.125E+02   0.918E-02 -.618E-02 -.201E-01   -.499E-03 0.144E-03 0.294E-03
   -.601E+01 0.137E+02 0.162E+02   0.600E+01 -.137E+02 -.161E+02   -.669E-02 0.758E-01 -.497E-01   0.262E-04 0.589E-03 0.308E-03
   -.120E+02 0.363E+02 0.478E+02   0.120E+02 -.369E+02 -.481E+02   -.348E-01 0.617E+00 0.296E+00   0.294E-03 0.243E-03 0.421E-03
   0.237E+02 -.137E+02 0.942E+02   -.243E+02 0.141E+02 -.963E+02   0.637E+00 -.368E+00 0.206E+01   -.984E-03 0.566E-03 0.594E-03
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.223E+00 -.175E+00 -.338E-01   -.929E-03 -.538E-05 0.484E-03
   0.112E+01 -.122E+02 0.161E+02   -.113E+01 0.123E+02 -.161E+02   -.162E-03 -.190E-01 -.496E-01   -.107E-02 0.523E-03 0.125E-03
   -.421E+01 0.195E+01 0.116E+02   0.420E+01 -.195E+01 -.116E+02   -.509E-02 0.123E-01 -.429E-01   -.713E-03 0.557E-03 0.278E-03
   -.193E+02 0.112E+02 0.218E+02   0.194E+02 -.112E+02 -.218E+02   -.558E-01 0.322E-01 -.405E-01   -.528E-03 0.308E-03 0.570E-03
   -.374E+02 -.782E+01 0.478E+02   0.380E+02 0.810E+01 -.481E+02   -.552E+00 -.279E+00 0.296E+00   -.599E-04 -.377E-03 0.424E-03
   -.727E+01 -.303E+02 0.422E+02   0.745E+01 0.305E+02 -.422E+02   -.193E+00 -.197E+00 -.609E-01   -.982E-03 -.179E-03 0.142E-03
   -.289E+01 -.874E+01 0.194E+02   0.290E+01 0.875E+01 -.193E+02   -.242E-01 -.798E-02 -.278E-01   -.591E-03 0.259E-03 -.101E-03
   0.132E+01 -.764E+00 0.134E+02   -.133E+01 0.769E+00 -.134E+02   -.344E-02 0.199E-02 -.183E-01   -.906E-03 0.525E-03 0.527E-04
   -.379E+01 0.267E+01 0.116E+02   0.379E+01 -.266E+01 -.116E+02   -.132E-01 -.175E-02 -.429E-01   -.837E-03 0.343E-03 0.282E-03
   -.148E+02 -.163E+01 0.162E+02   0.149E+02 0.166E+01 -.161E+02   -.690E-01 -.321E-01 -.497E-01   -.495E-03 -.319E-03 0.314E-03
   -.152E+02 -.115E+02 0.240E+02   0.153E+02 0.116E+02 -.240E+02   -.959E-01 -.460E-01 -.472E-01   -.221E-03 0.283E-03 -.141E-04
   0.289E+01 0.874E+01 0.194E+02   -.290E+01 -.875E+01 -.193E+02   0.242E-01 0.798E-02 -.278E-01   0.591E-03 -.259E-03 -.101E-03
   0.152E+02 0.115E+02 0.240E+02   -.153E+02 -.116E+02 -.240E+02   0.959E-01 0.460E-01 -.472E-01   0.221E-03 -.283E-03 -.141E-04
   0.148E+02 0.163E+01 0.162E+02   -.149E+02 -.166E+01 -.161E+02   0.690E-01 0.321E-01 -.497E-01   0.495E-03 0.319E-03 0.314E-03
   0.379E+01 -.267E+01 0.116E+02   -.379E+01 0.266E+01 -.116E+02   0.132E-01 0.175E-02 -.429E-01   0.837E-03 -.343E-03 0.282E-03
   -.132E+01 0.764E+00 0.134E+02   0.133E+01 -.769E+00 -.134E+02   0.344E-02 -.199E-02 -.183E-01   0.906E-03 -.525E-03 0.527E-04
   -.112E+01 0.122E+02 0.161E+02   0.113E+01 -.123E+02 -.161E+02   0.162E-03 0.190E-01 -.496E-01   0.107E-02 -.523E-03 0.125E-03
   0.727E+01 0.303E+02 0.422E+02   -.745E+01 -.305E+02 -.422E+02   0.193E+00 0.197E+00 -.609E-01   0.982E-03 0.179E-03 0.142E-03
   0.374E+02 0.782E+01 0.478E+02   -.380E+02 -.810E+01 -.481E+02   0.552E+00 0.279E+00 0.296E+00   0.598E-04 0.377E-03 0.424E-03
   0.193E+02 -.112E+02 0.218E+02   -.194E+02 0.112E+02 -.218E+02   0.558E-01 -.322E-01 -.405E-01   0.528E-03 -.308E-03 0.570E-03
   0.421E+01 -.195E+01 0.116E+02   -.420E+01 0.195E+01 -.116E+02   0.509E-02 -.123E-01 -.429E-01   0.713E-03 -.557E-03 0.278E-03
   -.307E+01 0.360E+01 0.125E+02   0.309E+01 -.362E+01 -.125E+02   -.918E-02 0.618E-02 -.201E-01   0.499E-03 -.144E-03 0.294E-03
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.223E+00 0.175E+00 -.338E-01   0.929E-03 0.534E-05 0.484E-03
   -.237E+02 0.137E+02 0.942E+02   0.243E+02 -.141E+02 -.963E+02   -.637E+00 0.368E+00 0.206E+01   0.984E-03 -.566E-03 0.594E-03
   0.120E+02 -.363E+02 0.478E+02   -.120E+02 0.369E+02 -.481E+02   0.348E-01 -.617E+00 0.296E+00   -.294E-03 -.243E-03 0.421E-03
   0.601E+01 -.137E+02 0.162E+02   -.600E+01 0.137E+02 -.161E+02   0.669E-02 -.758E-01 -.497E-01   -.262E-04 -.589E-03 0.308E-03
   -.569E+00 -.398E+01 0.126E+02   0.576E+00 0.398E+01 -.126E+02   0.616E-02 -.178E-02 -.126E-01   0.100E-03 -.504E-04 0.124E-03
   -.908E+01 0.524E+01 0.136E+02   0.913E+01 -.527E+01 -.136E+02   -.362E-01 0.209E-01 -.131E-01   0.188E-03 -.103E-03 0.388E-03
   -.268E+02 0.342E+01 0.256E+02   0.271E+02 -.354E+01 -.256E+02   -.263E+00 0.105E+00 -.338E-01   0.465E-03 -.801E-03 0.488E-03
   -.226E+02 -.214E+02 0.422E+02   0.227E+02 0.217E+02 -.422E+02   -.745E-01 -.266E+00 -.609E-01   0.341E-03 -.940E-03 0.144E-03
   -.236E+01 -.189E+02 0.240E+02   0.237E+01 0.190E+02 -.240E+02   0.810E-02 -.106E+00 -.472E-01   0.360E-03 -.487E-04 -.166E-04
   0.214E+01 -.124E+01 0.163E+02   -.214E+01 0.123E+01 -.163E+02   0.817E-02 -.472E-02 -.228E-01   0.207E-03 -.117E-03 -.730E-04
   0.317E+01 0.248E+01 0.126E+02   -.316E+01 -.249E+01 -.126E+02   0.462E-02 -.444E-02 -.126E-01   0.961E-04 -.540E-04 0.127E-03
   -.465E+01 0.856E+00 0.125E+02   0.468E+01 -.870E+00 -.125E+02   -.994E-02 0.486E-02 -.201E-01   0.377E-03 -.356E-03 0.301E-03
   -.111E+02 -.514E+01 0.161E+02   0.112E+02 0.515E+01 -.161E+02   -.163E-01 -.962E-02 -.496E-01   0.992E-03 -.669E-03 0.130E-03
   -.612E+01 -.687E+01 0.194E+02   0.613E+01 0.689E+01 -.193E+02   0.516E-02 -.249E-01 -.278E-01   0.523E-03 -.382E-03 -.100E-03
 -----------------------------------------------------------------------------------------------
   -.179E-02 0.281E-03 0.100E+02   -.995E-13 0.160E-12 -.604E-13   -.272E-15 0.278E-16 -.100E+02   -.784E-08 0.711E-08 0.856E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85133      6.05922     12.25545         0.000000      0.000000      0.023718
      1.07364      6.50822     13.51455         0.002758     -0.001592      0.012966
      2.62902      5.61022     13.51455        -0.002758      0.001592      0.012966
      0.00031     -0.00018      9.90483        -0.014341      0.008280      0.001175
     -1.23566      2.13734      9.90359        -0.016167      0.010872     -0.000128
     -2.47209      4.27755      9.92364        -0.014106      0.006837     -0.001122
     -3.70685      6.41682      9.93150        -0.015096      0.009191     -0.002791
     -4.94168      8.55568      9.92184        -0.013686      0.007423     -0.000074
      2.47044     -0.00083      9.92184        -0.013272      0.008141     -0.000074
      1.23413      2.13649      9.91317        -0.017351      0.006371     -0.000378
     -0.00373      4.27114      9.92588        -0.010766      0.008726     -0.002141
     -1.24039      6.41669      9.94777        -0.016249      0.010985     -0.001086
     -2.47203      8.55531      9.93306        -0.015981      0.009227     -0.000026
      4.94017     -0.00079      9.93150        -0.015507      0.008478     -0.002791
      3.70537      2.13583      9.93457        -0.013978      0.010739      0.000621
      2.46993      4.26817      9.96258        -0.013966      0.011476     -0.003809
      1.22804      6.41907      9.96884        -0.014245      0.008224     -0.007478
     -0.00411      8.55799      9.94777        -0.017638      0.008579     -0.001086
      7.41020     -0.00048      9.92364        -0.012974      0.008797     -0.001122
      6.17478      2.13737      9.92990        -0.014558      0.008572      0.000274
      4.94012      4.27591      9.94244        -0.014895      0.008600      0.002481
      3.71172      6.41902      9.96258        -0.016922      0.006357     -0.003809
      2.47232      8.55979      9.92588        -0.012940      0.004960     -0.002141
      9.88189     -0.00116      9.90359        -0.017499      0.008565     -0.000128
      8.64507      2.13685      9.91473        -0.012792      0.007385      0.000292
      7.40948      4.27592      9.92990        -0.014703      0.008322      0.000274
      6.17610      6.41527      9.93457        -0.016289      0.006736      0.000621
      4.93991      8.55509      9.91317        -0.014193      0.011841     -0.000378
     -0.00162      1.42487      9.90359         0.017499     -0.008565     -0.000128
     -1.23725      3.56335      9.91317         0.014193     -0.011841     -0.000378
     -2.47345      5.70317      9.93457         0.016289     -0.006736      0.000621
     -3.70682      7.84251      9.92990         0.014703     -0.008322      0.000274
     -4.94242      9.98159      9.91473         0.012792     -0.007385      0.000292
      2.47007      1.42419      9.92364         0.012974     -0.008797     -0.001122
      1.23034      3.55865      9.92588         0.012940     -0.004960     -0.002141
     -0.00907      5.69942      9.96258         0.016922     -0.006357     -0.003809
     -1.23746      7.84253      9.94244         0.014895     -0.008600      0.002481
     -2.47213      9.98107      9.92990         0.014558     -0.008572      0.000274
      4.94010      1.42450      9.93150         0.015507     -0.008478     -0.002791
      3.70676      3.56045      9.94777         0.017638     -0.008579     -0.001086
      2.47461      5.69937      9.96884         0.014245     -0.008224     -0.007478
      1.23273      7.85027      9.96258         0.013966     -0.011476     -0.003809
     -0.00271      9.98261      9.93457         0.013978     -0.010739      0.000621
      7.40983      1.42454      9.92184         0.013272     -0.008141     -0.000074
      6.17469      3.56313      9.93306         0.015981     -0.009227     -0.000026
      4.94304      5.70175      9.94777         0.016249     -0.010985     -0.001086
      3.70639      7.84730      9.92588         0.010766     -0.008726     -0.002141
      2.46852      9.98195      9.91317         0.017351     -0.006371     -0.000378
      9.87996      1.42389      9.90483         0.014341     -0.008280      0.001175
      8.64433      3.56276      9.92184         0.013686     -0.007423     -0.000074
      7.40950      5.70162      9.93150         0.015096     -0.009191     -0.002791
      6.17475      7.84089      9.92364         0.014106     -0.006837     -0.001122
      4.93832      9.98110      9.90359         0.016167     -0.010872     -0.000128
 -----------------------------------------------------------------------------------
    total drift:                               -0.001788      0.000281      0.005675


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.67: CPU time    1.68
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.18: CPU time    1.18
    ORTHCH:  VPU time  150.14: CPU time   75.10
     LOOP+:  VPU time 4115.40: CPU time 2100.10


----------------------------------------- Iteration    5(   1)  ---------------------------------------


    POTLOK:  VPU time    7.90: CPU time    7.73
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1129.41: CPU time  576.91
 BZINTS: Fermi energy: -3.194739;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   89.33: CPU time   45.19
    MIXING:  VPU time    0.13: CPU time    0.13
    ------------------------------------------
      LOOP:  VPU time 1227.09: CPU time  630.28

 eigenvalue-minimisations  :  4168
 total energy-change (2. order) :-0.4717258E+03  (-0.1334387E-05)
 number of electron  212.0000059 magnetization    0.0000000
 augmentation part     7.9547250 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.10829E-03    rms(broyden)= 0.10827E-03
  rms(prec ) = 0.14662E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34055.58186504
  -1/2 Hartree   DENC   =    -40946.33256121
  -V(xc)+E(xc)   XCENC  =       726.47520355
  PAW double counting   =      4091.33065320    -4129.67130373
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.54951343
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72580298 eV

  energy without entropy =     -471.72580298  energy(sigma->0) =     -471.72580298


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    5(   2)  ---------------------------------------


    POTLOK:  VPU time    7.74: CPU time    7.74
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1142.75: CPU time  583.42
 BZINTS: Fermi energy: -3.201399;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1150.81: CPU time  591.48

 eigenvalue-minimisations  :  4240
 total energy-change (2. order) :-0.2186680E-05  (-0.1812079E-06)
 number of electron  212.0000059 magnetization    0.0000000
 augmentation part     7.9547250 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34055.58186504
  -1/2 Hartree   DENC   =    -40946.31278932
  -V(xc)+E(xc)   XCENC  =       726.47497404
  PAW double counting   =      4091.33250120    -4129.67312806
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.56908166
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72580517 eV

  energy without entropy =     -471.72580517  energy(sigma->0) =     -471.72580517


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2208       2 -39.5335       3 -39.5335       4 -58.3166       5 -58.3205
       6 -58.3230       7 -58.3175       8 -58.3179       9 -58.3179      10 -58.3244
      11 -58.3906      12 -58.3544      13 -58.3259      14 -58.3175      15 -58.3274
      16 -58.5461      17 -58.7331      18 -58.3544      19 -58.3230      20 -58.3227
      21 -58.3607      22 -58.5461      23 -58.3907      24 -58.3206      25 -58.3258
      26 -58.3227      27 -58.3274      28 -58.3244      29 -58.3204      30 -58.3243
      31 -58.3273      32 -58.3226      33 -58.3257      34 -58.3229      35 -58.3906
      36 -58.5461      37 -58.3606      38 -58.3226      39 -58.3174      40 -58.3543
      41 -58.7330      42 -58.5461      43 -58.3273      44 -58.3178      45 -58.3258
      46 -58.3543      47 -58.3906      48 -58.3243      49 -58.3165      50 -58.3178
      51 -58.3174      52 -58.3229      53 -58.3204
 
 
 
 E-fermi :  -3.2014     XC(G=0):  -2.3436     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4219      1.00000
      2     -21.5995      1.00000
      3     -21.4776      1.00000
      4     -21.4681      1.00000
      5     -21.4369      1.00000
      6     -21.4357      1.00000
      7     -21.4256      1.00000
      8     -19.7044      1.00000
      9     -19.6502      1.00000
     10     -19.6245      1.00000
     11     -19.6162      1.00000
     12     -19.6092      1.00000
     13     -19.6089      1.00000
     14     -18.7867      1.00000
     15     -18.7539      1.00000
     16     -18.7305      1.00000
     17     -18.7210      1.00000
     18     -18.7172      1.00000
     19     -18.7094      1.00000
     20     -16.6318      1.00000
     21     -16.6113      1.00000
     22     -16.5846      1.00000
     23     -16.5779      1.00000
     24     -16.5548      1.00000
     25     -16.5505      1.00000
     26     -15.6133      1.00000
     27     -15.5991      1.00000
     28     -15.5957      1.00000
     29     -15.5610      1.00000
     30     -15.5603      1.00000
     31     -15.5595      1.00000
     32     -14.2605      1.00000
     33     -14.2496      1.00000
     34     -14.2368      1.00000
     35     -14.2319      1.00000
     36     -14.2207      1.00000
     37     -14.2193      1.00000
     38     -11.9067      1.00000
     39     -11.8794      1.00000
     40     -11.8680      1.00000
     41     -11.8646      1.00000
     42     -11.8449      1.00000
     43     -11.8444      1.00000
     44     -11.7715      1.00000
     45     -11.7642      1.00000
     46     -11.7367      1.00000
     47     -11.7270      1.00000
     48     -11.7236      1.00000
     49     -11.7171      1.00000
     50     -10.6737      1.00000
     51     -10.3876      1.00000
     52     -10.3816      1.00000
     53     -10.3744      1.00000
     54     -10.3690      1.00000
     55     -10.3530      1.00000
     56     -10.3517      1.00000
     57      -9.9023      1.00000
     58      -9.4480      1.00000
     59      -9.4022      1.00000
     60      -9.3589      1.00000
     61      -9.3588      1.00000
     62      -9.3506      1.00000
     63      -9.1464      1.00000
     64      -9.1229      1.00000
     65      -9.1127      1.00000
     66      -9.0828      1.00000
     67      -9.0765      1.00000
     68      -9.0748      1.00000
     69      -9.0748      1.00000
     70      -9.0662      1.00000
     71      -9.0555      1.00000
     72      -9.0350      1.00000
     73      -9.0307      1.00000
     74      -9.0265      1.00000
     75      -8.1273      1.00000
     76      -7.7489      1.00000
     77      -7.4708      1.00000
     78      -7.4666      1.00000
     79      -7.4533      1.00000
     80      -7.4317      1.00000
     81      -7.4291      1.00000
     82      -7.4057      1.00000
     83      -7.3098      1.00000
     84      -7.2702      1.00000
     85      -7.2549      1.00000
     86      -7.2471      1.00000
     87      -7.1462      1.00000
     88      -7.0488      1.00000
     89      -6.4441      1.00000
     90      -6.4138      1.00000
     91      -6.3980      1.00000
     92      -6.3640      1.00000
     93      -6.3520      1.00000
     94      -6.3398      1.00000
     95      -5.9671      1.00000
     96      -5.9530      1.00000
     97      -4.8083      1.00000
     98      -4.5459      1.00000
     99      -4.4835      1.00000
    100      -4.4740      1.00000
    101      -4.3839      1.00000
    102      -4.3814      1.00000
    103      -4.2677      1.00000
    104      -4.1882      1.00000
    105      -3.7401      1.00000
    106      -3.4790      1.00000
    107      -1.8652      0.00000
    108      -1.6733      0.00000
    109      -1.6264      0.00000
    110      -1.5922      0.00000
    111      -1.5781      0.00000
    112      -1.5762      0.00000
    113      -0.4298      0.00000
    114       0.1407      0.00000
    115       0.1907      0.00000
    116       0.2544      0.00000
    117       0.2610      0.00000
    118       0.2698      0.00000
    119       0.4789      0.00000
    120       0.5583      0.00000
    121       1.2615      0.00000
    122       1.2951      0.00000
    123       1.5503      0.00000
    124       1.7747      0.00000
    125       1.7794      0.00000
    126       1.7826      0.00000
    127       1.7828      0.00000
    128       1.8287      0.00000
    129       1.9538      0.00000
    130       1.9684      0.00000
    131       1.9694      0.00000
    132       1.9846      0.00000
    133       1.9911      0.00000
    134       2.0876      0.00000
    135       2.2680      0.00000
    136       2.3431      0.00000
    137       2.6291      0.00000
    138       2.6330      0.00000
    139       2.6591      0.00000
    140       2.7197      0.00000
    141       2.9423      0.00000
    142       3.0321      0.00000
    143       3.0469      0.00000
    144       3.0475      0.00000
    145       3.0518      0.00000
    146       3.0535      0.00000
    147       3.1164      0.00000
    148       3.2868      0.00000
    149       3.4472      0.00000
    150       3.5231      0.00000
    151       3.8195      0.00000
    152       3.9483      0.00000
    153       3.9512      0.00000
    154       3.9537      0.00000
    155       3.9651      0.00000
    156       4.0053      0.00000
    157       4.1977      0.00000
    158       4.2673      0.00000
    159       4.2857      0.00000
    160       4.2879      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3853      1.00000
      2     -21.8263      1.00000
      3     -21.6343      1.00000
      4     -21.6065      1.00000
      5     -21.2709      1.00000
      6     -21.2313      1.00000
      7     -21.0525      1.00000
      8     -20.1641      1.00000
      9     -20.1256      1.00000
     10     -19.6065      1.00000
     11     -19.5952      1.00000
     12     -19.4130      1.00000
     13     -19.0861      1.00000
     14     -19.0591      1.00000
     15     -19.0451      1.00000
     16     -19.0380      1.00000
     17     -18.3590      1.00000
     18     -18.3499      1.00000
     19     -18.0151      1.00000
     20     -17.0662      1.00000
     21     -17.0272      1.00000
     22     -16.9429      1.00000
     23     -16.9387      1.00000
     24     -16.4671      1.00000
     25     -16.4653      1.00000
     26     -15.6136      1.00000
     27     -15.6051      1.00000
     28     -15.2513      1.00000
     29     -15.2399      1.00000
     30     -15.1809      1.00000
     31     -15.0951      1.00000
     32     -15.0678      1.00000
     33     -14.7002      1.00000
     34     -14.6939      1.00000
     35     -13.7289      1.00000
     36     -13.7208      1.00000
     37     -13.2321      1.00000
     38     -12.6131      1.00000
     39     -12.5830      1.00000
     40     -12.4528      1.00000
     41     -12.4446      1.00000
     42     -12.1107      1.00000
     43     -12.1033      1.00000
     44     -11.7186      1.00000
     45     -11.6877      1.00000
     46     -11.2379      1.00000
     47     -11.2257      1.00000
     48     -11.0172      1.00000
     49     -11.0036      1.00000
     50     -10.9266      1.00000
     51     -10.9052      1.00000
     52     -10.6286      1.00000
     53     -10.1541      1.00000
     54     -10.1474      1.00000
     55     -10.0890      1.00000
     56      -9.9960      1.00000
     57      -9.7032      1.00000
     58      -9.6904      1.00000
     59      -9.6535      1.00000
     60      -9.5897      1.00000
     61      -9.5822      1.00000
     62      -9.5567      1.00000
     63      -9.3085      1.00000
     64      -9.2955      1.00000
     65      -9.2726      1.00000
     66      -9.2398      1.00000
     67      -9.1338      1.00000
     68      -9.1158      1.00000
     69      -9.1053      1.00000
     70      -8.9365      1.00000
     71      -8.8761      1.00000
     72      -8.6087      1.00000
     73      -8.5920      1.00000
     74      -8.2345      1.00000
     75      -8.0982      1.00000
     76      -7.9125      1.00000
     77      -7.8678      1.00000
     78      -7.7710      1.00000
     79      -7.7541      1.00000
     80      -7.6890      1.00000
     81      -7.5616      1.00000
     82      -7.3386      1.00000
     83      -7.3205      1.00000
     84      -7.2027      1.00000
     85      -7.1225      1.00000
     86      -7.0295      1.00000
     87      -7.0170      1.00000
     88      -6.7025      1.00000
     89      -6.6769      1.00000
     90      -6.6387      1.00000
     91      -6.5970      1.00000
     92      -6.1145      1.00000
     93      -6.0630      1.00000
     94      -6.0335      1.00000
     95      -6.0122      1.00000
     96      -5.7815      1.00000
     97      -4.9750      1.00000
     98      -4.8337      1.00000
     99      -4.7471      1.00000
    100      -4.6786      1.00000
    101      -4.4700      1.00000
    102      -4.2044      1.00000
    103      -4.1746      1.00000
    104      -4.1286      1.00000
    105      -3.7305      1.00000
    106      -3.4893      1.00000
    107      -1.8727      0.00000
    108      -1.8110      0.00000
    109      -1.5268      0.00000
    110      -1.3809      0.00000
    111      -1.3231      0.00000
    112      -1.2894      0.00000
    113      -0.7209      0.00000
    114      -0.3774      0.00000
    115      -0.2551      0.00000
    116       0.0382      0.00000
    117       0.5640      0.00000
    118       0.6941      0.00000
    119       0.7461      0.00000
    120       1.0481      0.00000
    121       1.0966      0.00000
    122       1.1546      0.00000
    123       1.2285      0.00000
    124       1.3860      0.00000
    125       1.5327      0.00000
    126       1.5973      0.00000
    127       1.7203      0.00000
    128       1.8003      0.00000
    129       1.8523      0.00000
    130       1.8799      0.00000
    131       2.1004      0.00000
    132       2.2009      0.00000
    133       2.2470      0.00000
    134       2.3164      0.00000
    135       2.5239      0.00000
    136       2.6041      0.00000
    137       2.6123      0.00000
    138       2.7801      0.00000
    139       2.7891      0.00000
    140       2.8193      0.00000
    141       2.8294      0.00000
    142       2.9013      0.00000
    143       2.9429      0.00000
    144       3.0971      0.00000
    145       3.1650      0.00000
    146       3.3204      0.00000
    147       3.3519      0.00000
    148       3.4088      0.00000
    149       3.4694      0.00000
    150       3.6024      0.00000
    151       3.6410      0.00000
    152       3.6580      0.00000
    153       3.7125      0.00000
    154       3.9215      0.00000
    155       3.9642      0.00000
    156       4.0245      0.00000
    157       4.0724      0.00000
    158       4.2401      0.00000
    159       4.2549      0.00000
    160       4.2851      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2793      1.00000
      2     -22.0736      1.00000
      3     -21.7128      1.00000
      4     -21.6809      1.00000
      5     -20.9758      1.00000
      6     -20.9349      1.00000
      7     -20.6081      1.00000
      8     -20.5712      1.00000
      9     -20.5648      1.00000
     10     -20.0284      1.00000
     11     -19.5013      1.00000
     12     -19.4894      1.00000
     13     -19.3049      1.00000
     14     -19.2992      1.00000
     15     -18.4443      1.00000
     16     -18.4073      1.00000
     17     -17.9203      1.00000
     18     -17.9113      1.00000
     19     -17.7583      1.00000
     20     -17.7223      1.00000
     21     -17.4343      1.00000
     22     -17.4270      1.00000
     23     -17.3371      1.00000
     24     -16.4631      1.00000
     25     -16.4627      1.00000
     26     -15.9627      1.00000
     27     -15.4149      1.00000
     28     -15.4066      1.00000
     29     -15.0979      1.00000
     30     -15.0906      1.00000
     31     -14.8535      1.00000
     32     -14.8448      1.00000
     33     -14.2878      1.00000
     34     -14.2547      1.00000
     35     -13.4347      1.00000
     36     -13.4021      1.00000
     37     -13.1797      1.00000
     38     -13.1712      1.00000
     39     -12.9784      1.00000
     40     -12.9720      1.00000
     41     -12.6152      1.00000
     42     -12.6072      1.00000
     43     -12.1943      1.00000
     44     -11.5777      1.00000
     45     -11.5439      1.00000
     46     -11.3113      1.00000
     47     -11.2887      1.00000
     48     -11.1389      1.00000
     49     -10.6799      1.00000
     50     -10.6603      1.00000
     51     -10.5516      1.00000
     52     -10.3218      1.00000
     53     -10.3126      1.00000
     54     -10.1664      1.00000
     55     -10.1190      1.00000
     56     -10.1126      1.00000
     57      -9.7965      1.00000
     58      -9.7570      1.00000
     59      -9.7535      1.00000
     60      -9.7031      1.00000
     61      -9.6880      1.00000
     62      -9.6592      1.00000
     63      -9.3558      1.00000
     64      -9.3456      1.00000
     65      -9.3192      1.00000
     66      -9.0399      1.00000
     67      -8.9562      1.00000
     68      -8.9504      1.00000
     69      -8.7971      1.00000
     70      -8.5981      1.00000
     71      -8.5564      1.00000
     72      -8.3964      1.00000
     73      -8.3619      1.00000
     74      -8.3257      1.00000
     75      -8.3056      1.00000
     76      -8.2625      1.00000
     77      -8.2561      1.00000
     78      -8.2398      1.00000
     79      -7.9017      1.00000
     80      -7.6497      1.00000
     81      -7.5495      1.00000
     82      -7.3853      1.00000
     83      -7.3478      1.00000
     84      -7.2287      1.00000
     85      -7.0944      1.00000
     86      -7.0382      1.00000
     87      -6.9319      1.00000
     88      -6.8478      1.00000
     89      -6.6175      1.00000
     90      -6.5568      1.00000
     91      -6.2747      1.00000
     92      -6.0422      1.00000
     93      -5.9502      1.00000
     94      -5.6609      1.00000
     95      -5.6241      1.00000
     96      -5.4626      1.00000
     97      -5.3182      1.00000
     98      -5.2784      1.00000
     99      -5.2117      1.00000
    100      -5.1957      1.00000
    101      -4.5103      1.00000
    102      -4.2088      1.00000
    103      -4.0616      1.00000
    104      -3.9909      1.00000
    105      -3.6953      1.00000
    106      -3.4997      1.00000
    107      -1.9483      0.00000
    108      -1.8977      0.00000
    109      -1.3412      0.00000
    110      -1.0864      0.00000
    111      -1.0620      0.00000
    112      -0.8024      0.00000
    113      -0.6826      0.00000
    114      -0.6483      0.00000
    115      -0.6094      0.00000
    116      -0.1082      0.00000
    117       0.2128      0.00000
    118       0.3292      0.00000
    119       0.7036      0.00000
    120       0.8970      0.00000
    121       1.1248      0.00000
    122       1.1972      0.00000
    123       1.3337      0.00000
    124       1.4313      0.00000
    125       1.5520      0.00000
    126       1.5747      0.00000
    127       1.6923      0.00000
    128       1.8149      0.00000
    129       1.8897      0.00000
    130       2.0579      0.00000
    131       2.1030      0.00000
    132       2.3058      0.00000
    133       2.3525      0.00000
    134       2.4110      0.00000
    135       2.5648      0.00000
    136       2.6366      0.00000
    137       2.7256      0.00000
    138       2.7396      0.00000
    139       2.8005      0.00000
    140       2.8853      0.00000
    141       3.0493      0.00000
    142       3.0625      0.00000
    143       3.1792      0.00000
    144       3.2711      0.00000
    145       3.3678      0.00000
    146       3.4208      0.00000
    147       3.4400      0.00000
    148       3.5623      0.00000
    149       3.5809      0.00000
    150       3.6033      0.00000
    151       3.6592      0.00000
    152       3.6815      0.00000
    153       3.7694      0.00000
    154       3.7786      0.00000
    155       3.8070      0.00000
    156       3.8954      0.00000
    157       3.9297      0.00000
    158       4.0031      0.00000
    159       4.2225      0.00000
    160       4.2328      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3132      1.00000
      2     -21.9588      1.00000
      3     -21.8893      1.00000
      4     -21.3776      1.00000
      5     -21.3483      1.00000
      6     -20.8354      1.00000
      7     -20.7698      1.00000
      8     -20.6193      1.00000
      9     -20.0755      1.00000
     10     -20.0699      1.00000
     11     -19.7131      1.00000
     12     -19.6885      1.00000
     13     -18.9941      1.00000
     14     -18.9883      1.00000
     15     -18.6406      1.00000
     16     -18.6246      1.00000
     17     -18.4567      1.00000
     18     -17.6709      1.00000
     19     -17.6206      1.00000
     20     -17.6173      1.00000
     21     -17.5749      1.00000
     22     -17.1262      1.00000
     23     -17.1043      1.00000
     24     -16.9657      1.00000
     25     -16.0049      1.00000
     26     -15.9282      1.00000
     27     -15.5821      1.00000
     28     -15.5819      1.00000
     29     -15.2848      1.00000
     30     -14.8629      1.00000
     31     -14.8354      1.00000
     32     -14.5746      1.00000
     33     -14.5325      1.00000
     34     -14.1716      1.00000
     35     -14.1580      1.00000
     36     -13.1492      1.00000
     37     -13.0943      1.00000
     38     -13.0247      1.00000
     39     -13.0149      1.00000
     40     -12.7051      1.00000
     41     -12.7009      1.00000
     42     -12.3417      1.00000
     43     -12.3102      1.00000
     44     -11.6406      1.00000
     45     -11.6273      1.00000
     46     -11.5717      1.00000
     47     -10.9514      1.00000
     48     -10.9181      1.00000
     49     -10.6306      1.00000
     50     -10.6221      1.00000
     51     -10.5450      1.00000
     52     -10.5025      1.00000
     53     -10.5019      1.00000
     54     -10.4389      1.00000
     55     -10.3512      1.00000
     56     -10.0964      1.00000
     57      -9.9000      1.00000
     58      -9.5995      1.00000
     59      -9.5468      1.00000
     60      -9.4528      1.00000
     61      -9.4153      1.00000
     62      -9.4050      1.00000
     63      -9.3713      1.00000
     64      -9.3700      1.00000
     65      -9.2852      1.00000
     66      -9.1743      1.00000
     67      -9.1495      1.00000
     68      -9.1169      1.00000
     69      -8.8688      1.00000
     70      -8.8617      1.00000
     71      -8.8131      1.00000
     72      -8.5936      1.00000
     73      -8.4768      1.00000
     74      -8.2022      1.00000
     75      -8.1670      1.00000
     76      -8.0064      1.00000
     77      -7.9651      1.00000
     78      -7.8451      1.00000
     79      -7.8346      1.00000
     80      -7.7036      1.00000
     81      -7.6954      1.00000
     82      -7.6196      1.00000
     83      -7.4480      1.00000
     84      -7.2968      1.00000
     85      -7.2530      1.00000
     86      -6.9094      1.00000
     87      -6.8965      1.00000
     88      -6.5873      1.00000
     89      -6.5502      1.00000
     90      -6.4015      1.00000
     91      -6.2544      1.00000
     92      -6.2335      1.00000
     93      -6.2133      1.00000
     94      -6.0203      1.00000
     95      -5.5486      1.00000
     96      -5.4873      1.00000
     97      -5.3487      1.00000
     98      -5.2174      1.00000
     99      -4.9820      1.00000
    100      -4.7337      1.00000
    101      -4.6791      1.00000
    102      -4.3885      1.00000
    103      -4.2041      1.00000
    104      -3.8733      1.00000
    105      -3.5484      1.00000
    106      -3.5118      1.00000
    107      -2.2572      0.00000
    108      -1.4600      0.00000
    109      -1.3750      0.00000
    110      -1.2438      0.00000
    111      -1.0993      0.00000
    112      -0.9454      0.00000
    113      -0.8650      0.00000
    114      -0.8052      0.00000
    115      -0.1397      0.00000
    116       0.1054      0.00000
    117       0.2350      0.00000
    118       0.3763      0.00000
    119       0.6615      0.00000
    120       0.8354      0.00000
    121       0.9348      0.00000
    122       1.0728      0.00000
    123       1.2418      0.00000
    124       1.4565      0.00000
    125       1.5663      0.00000
    126       1.7645      0.00000
    127       1.7926      0.00000
    128       1.8682      0.00000
    129       1.9852      0.00000
    130       2.0447      0.00000
    131       2.1861      0.00000
    132       2.1876      0.00000
    133       2.4154      0.00000
    134       2.4283      0.00000
    135       2.5117      0.00000
    136       2.5972      0.00000
    137       2.6314      0.00000
    138       2.7056      0.00000
    139       2.7805      0.00000
    140       2.8529      0.00000
    141       2.9632      0.00000
    142       3.0856      0.00000
    143       3.1809      0.00000
    144       3.2101      0.00000
    145       3.2407      0.00000
    146       3.3164      0.00000
    147       3.3355      0.00000
    148       3.4743      0.00000
    149       3.5123      0.00000
    150       3.6953      0.00000
    151       3.7258      0.00000
    152       3.7278      0.00000
    153       3.8635      0.00000
    154       3.9122      0.00000
    155       3.9526      0.00000
    156       3.9760      0.00000
    157       3.9991      0.00000
    158       4.0523      0.00000
    159       4.0578      0.00000
    160       4.0644      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2064      1.00000
      2     -22.1131      1.00000
      3     -21.9528      1.00000
      4     -21.4009      1.00000
      5     -21.0460      1.00000
      6     -21.0099      1.00000
      7     -20.4973      1.00000
      8     -20.4577      1.00000
      9     -20.2908      1.00000
     10     -20.2714      1.00000
     11     -19.9551      1.00000
     12     -19.8892      1.00000
     13     -18.8810      1.00000
     14     -18.8121      1.00000
     15     -18.3496      1.00000
     16     -18.3029      1.00000
     17     -18.1509      1.00000
     18     -18.1334      1.00000
     19     -17.8237      1.00000
     20     -17.7859      1.00000
     21     -17.2499      1.00000
     22     -17.2427      1.00000
     23     -17.1613      1.00000
     24     -17.1328      1.00000
     25     -16.1058      1.00000
     26     -15.8844      1.00000
     27     -15.8681      1.00000
     28     -15.8351      1.00000
     29     -15.2344      1.00000
     30     -14.5558      1.00000
     31     -14.5271      1.00000
     32     -14.2788      1.00000
     33     -13.9613      1.00000
     34     -13.9531      1.00000
     35     -13.8191      1.00000
     36     -13.8040      1.00000
     37     -13.6143      1.00000
     38     -13.5698      1.00000
     39     -13.3656      1.00000
     40     -12.6308      1.00000
     41     -12.1821      1.00000
     42     -12.1329      1.00000
     43     -12.0715      1.00000
     44     -12.0191      1.00000
     45     -11.6666      1.00000
     46     -11.6531      1.00000
     47     -11.1419      1.00000
     48     -11.1196      1.00000
     49     -10.7971      1.00000
     50     -10.7335      1.00000
     51     -10.5273      1.00000
     52     -10.2082      1.00000
     53     -10.1998      1.00000
     54     -10.1609      1.00000
     55     -10.0168      1.00000
     56      -9.9999      1.00000
     57      -9.9881      1.00000
     58      -9.8040      1.00000
     59      -9.7891      1.00000
     60      -9.7652      1.00000
     61      -9.7573      1.00000
     62      -9.4581      1.00000
     63      -9.4156      1.00000
     64      -9.0808      1.00000
     65      -9.0689      1.00000
     66      -9.0389      1.00000
     67      -8.9575      1.00000
     68      -8.8745      1.00000
     69      -8.7120      1.00000
     70      -8.6953      1.00000
     71      -8.5692      1.00000
     72      -8.5469      1.00000
     73      -8.4991      1.00000
     74      -8.4589      1.00000
     75      -8.4551      1.00000
     76      -8.2587      1.00000
     77      -8.1227      1.00000
     78      -8.0409      1.00000
     79      -7.9143      1.00000
     80      -7.8619      1.00000
     81      -7.6142      1.00000
     82      -7.5502      1.00000
     83      -7.4880      1.00000
     84      -7.2686      1.00000
     85      -6.9941      1.00000
     86      -6.9222      1.00000
     87      -6.8805      1.00000
     88      -6.5365      1.00000
     89      -6.4911      1.00000
     90      -6.4606      1.00000
     91      -6.4102      1.00000
     92      -5.9824      1.00000
     93      -5.8962      1.00000
     94      -5.7822      1.00000
     95      -5.7606      1.00000
     96      -5.4313      1.00000
     97      -5.3290      1.00000
     98      -5.2289      1.00000
     99      -5.2160      1.00000
    100      -5.1906      1.00000
    101      -4.6938      1.00000
    102      -4.4229      1.00000
    103      -4.2106      1.00000
    104      -3.8360      1.00000
    105      -3.5311      1.00000
    106      -3.2759      1.00000
    107      -2.5319      0.00000
    108      -1.4606      0.00000
    109      -1.2693      0.00000
    110      -1.2045      0.00000
    111      -1.1750      0.00000
    112      -0.7224      0.00000
    113      -0.5062      0.00000
    114      -0.4149      0.00000
    115      -0.3437      0.00000
    116      -0.1477      0.00000
    117      -0.0048      0.00000
    118       0.1949      0.00000
    119       0.5585      0.00000
    120       0.6105      0.00000
    121       0.8047      0.00000
    122       0.9179      0.00000
    123       1.1420      0.00000
    124       1.5073      0.00000
    125       1.6469      0.00000
    126       1.8713      0.00000
    127       1.9389      0.00000
    128       2.1054      0.00000
    129       2.1154      0.00000
    130       2.1311      0.00000
    131       2.1711      0.00000
    132       2.2754      0.00000
    133       2.3155      0.00000
    134       2.4640      0.00000
    135       2.5796      0.00000
    136       2.6661      0.00000
    137       2.8597      0.00000
    138       2.8702      0.00000
    139       2.9030      0.00000
    140       3.0114      0.00000
    141       3.0333      0.00000
    142       3.1496      0.00000
    143       3.1549      0.00000
    144       3.2289      0.00000
    145       3.2782      0.00000
    146       3.2842      0.00000
    147       3.3048      0.00000
    148       3.3519      0.00000
    149       3.4327      0.00000
    150       3.4537      0.00000
    151       3.5629      0.00000
    152       3.6201      0.00000
    153       3.6784      0.00000
    154       3.7174      0.00000
    155       3.7864      0.00000
    156       3.9011      0.00000
    157       3.9405      0.00000
    158       4.0135      0.00000
    159       4.1488      0.00000
    160       4.2402      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3132      1.00000
      2     -21.9603      1.00000
      3     -21.8879      1.00000
      4     -21.3805      1.00000
      5     -21.3439      1.00000
      6     -20.8363      1.00000
      7     -20.7697      1.00000
      8     -20.6220      1.00000
      9     -20.0857      1.00000
     10     -20.0567      1.00000
     11     -19.7156      1.00000
     12     -19.6867      1.00000
     13     -19.0069      1.00000
     14     -18.9755      1.00000
     15     -18.6459      1.00000
     16     -18.6130      1.00000
     17     -18.4595      1.00000
     18     -17.6590      1.00000
     19     -17.6476      1.00000
     20     -17.6096      1.00000
     21     -17.5774      1.00000
     22     -17.1350      1.00000
     23     -17.0948      1.00000
     24     -16.9623      1.00000
     25     -16.0055      1.00000
     26     -15.9191      1.00000
     27     -15.5977      1.00000
     28     -15.5730      1.00000
     29     -15.2788      1.00000
     30     -14.8754      1.00000
     31     -14.8274      1.00000
     32     -14.5755      1.00000
     33     -14.5377      1.00000
     34     -14.1600      1.00000
     35     -14.1563      1.00000
     36     -13.1618      1.00000
     37     -13.0948      1.00000
     38     -13.0252      1.00000
     39     -13.0186      1.00000
     40     -12.7195      1.00000
     41     -12.6950      1.00000
     42     -12.3376      1.00000
     43     -12.3091      1.00000
     44     -11.6288      1.00000
     45     -11.6199      1.00000
     46     -11.5671      1.00000
     47     -10.9395      1.00000
     48     -10.9184      1.00000
     49     -10.6702      1.00000
     50     -10.5921      1.00000
     51     -10.5714      1.00000
     52     -10.4958      1.00000
     53     -10.4871      1.00000
     54     -10.4401      1.00000
     55     -10.3592      1.00000
     56     -10.1009      1.00000
     57      -9.8943      1.00000
     58      -9.6122      1.00000
     59      -9.5551      1.00000
     60      -9.4534      1.00000
     61      -9.4143      1.00000
     62      -9.4071      1.00000
     63      -9.3821      1.00000
     64      -9.3739      1.00000
     65      -9.2643      1.00000
     66      -9.1632      1.00000
     67      -9.1391      1.00000
     68      -9.1137      1.00000
     69      -8.8674      1.00000
     70      -8.8528      1.00000
     71      -8.8006      1.00000
     72      -8.5945      1.00000
     73      -8.5252      1.00000
     74      -8.1927      1.00000
     75      -8.1672      1.00000
     76      -8.0737      1.00000
     77      -7.8603      1.00000
     78      -7.8393      1.00000
     79      -7.8245      1.00000
     80      -7.7135      1.00000
     81      -7.6971      1.00000
     82      -7.5942      1.00000
     83      -7.5305      1.00000
     84      -7.3475      1.00000
     85      -7.1672      1.00000
     86      -6.9068      1.00000
     87      -6.8935      1.00000
     88      -6.5893      1.00000
     89      -6.5513      1.00000
     90      -6.4110      1.00000
     91      -6.3001      1.00000
     92      -6.2454      1.00000
     93      -6.1991      1.00000
     94      -6.0041      1.00000
     95      -5.5311      1.00000
     96      -5.4671      1.00000
     97      -5.3145      1.00000
     98      -5.2103      1.00000
     99      -5.0466      1.00000
    100      -4.7227      1.00000
    101      -4.6730      1.00000
    102      -4.4252      1.00000
    103      -4.1955      1.00000
    104      -3.8446      1.00000
    105      -3.6355      1.00000
    106      -3.4167      1.00000
    107      -2.2949      0.00000
    108      -1.5121      0.00000
    109      -1.2726      0.00000
    110      -1.2643      0.00000
    111      -1.0357      0.00000
    112      -0.9825      0.00000
    113      -0.8706      0.00000
    114      -0.8026      0.00000
    115      -0.2617      0.00000
    116       0.2030      0.00000
    117       0.2372      0.00000
    118       0.3604      0.00000
    119       0.6996      0.00000
    120       0.8900      0.00000
    121       0.9226      0.00000
    122       1.0487      0.00000
    123       1.1757      0.00000
    124       1.5179      0.00000
    125       1.5762      0.00000
    126       1.7149      0.00000
    127       1.7758      0.00000
    128       1.8297      0.00000
    129       1.9543      0.00000
    130       2.0016      0.00000
    131       2.1744      0.00000
    132       2.2793      0.00000
    133       2.4182      0.00000
    134       2.4307      0.00000
    135       2.5103      0.00000
    136       2.5989      0.00000
    137       2.6152      0.00000
    138       2.7088      0.00000
    139       2.7586      0.00000
    140       2.8811      0.00000
    141       3.0466      0.00000
    142       3.0836      0.00000
    143       3.1823      0.00000
    144       3.2309      0.00000
    145       3.2410      0.00000
    146       3.3012      0.00000
    147       3.3497      0.00000
    148       3.4632      0.00000
    149       3.5332      0.00000
    150       3.6976      0.00000
    151       3.7141      0.00000
    152       3.7568      0.00000
    153       3.8354      0.00000
    154       3.8871      0.00000
    155       3.9388      0.00000
    156       3.9828      0.00000
    157       3.9922      0.00000
    158       4.0243      0.00000
    159       4.0426      0.00000
    160       4.1068      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3853      1.00000
      2     -21.8271      1.00000
      3     -21.6369      1.00000
      4     -21.6020      1.00000
      5     -21.2747      1.00000
      6     -21.2278      1.00000
      7     -21.0535      1.00000
      8     -20.1686      1.00000
      9     -20.1226      1.00000
     10     -19.6121      1.00000
     11     -19.5854      1.00000
     12     -19.4147      1.00000
     13     -19.0923      1.00000
     14     -19.0523      1.00000
     15     -19.0479      1.00000
     16     -19.0364      1.00000
     17     -18.3633      1.00000
     18     -18.3432      1.00000
     19     -18.0178      1.00000
     20     -17.0735      1.00000
     21     -17.0252      1.00000
     22     -16.9480      1.00000
     23     -16.9336      1.00000
     24     -16.4699      1.00000
     25     -16.4580      1.00000
     26     -15.6045      1.00000
     27     -15.6040      1.00000
     28     -15.2496      1.00000
     29     -15.2372      1.00000
     30     -15.1932      1.00000
     31     -15.1020      1.00000
     32     -15.0689      1.00000
     33     -14.6939      1.00000
     34     -14.6928      1.00000
     35     -13.7219      1.00000
     36     -13.7217      1.00000
     37     -13.2394      1.00000
     38     -12.6262      1.00000
     39     -12.5818      1.00000
     40     -12.4549      1.00000
     41     -12.4493      1.00000
     42     -12.1047      1.00000
     43     -12.0994      1.00000
     44     -11.7133      1.00000
     45     -11.6745      1.00000
     46     -11.2442      1.00000
     47     -11.2228      1.00000
     48     -11.0201      1.00000
     49     -11.0084      1.00000
     50     -10.9225      1.00000
     51     -10.8936      1.00000
     52     -10.6347      1.00000
     53     -10.1736      1.00000
     54     -10.1504      1.00000
     55     -10.0908      1.00000
     56      -9.9904      1.00000
     57      -9.6972      1.00000
     58      -9.6898      1.00000
     59      -9.6676      1.00000
     60      -9.5882      1.00000
     61      -9.5644      1.00000
     62      -9.5502      1.00000
     63      -9.3155      1.00000
     64      -9.3042      1.00000
     65      -9.2819      1.00000
     66      -9.2329      1.00000
     67      -9.1209      1.00000
     68      -9.1160      1.00000
     69      -9.1127      1.00000
     70      -8.9374      1.00000
     71      -8.8657      1.00000
     72      -8.6021      1.00000
     73      -8.5837      1.00000
     74      -8.2698      1.00000
     75      -8.1094      1.00000
     76      -7.8600      1.00000
     77      -7.8420      1.00000
     78      -7.7907      1.00000
     79      -7.7678      1.00000
     80      -7.7598      1.00000
     81      -7.4486      1.00000
     82      -7.3392      1.00000
     83      -7.3276      1.00000
     84      -7.2627      1.00000
     85      -7.1584      1.00000
     86      -7.0079      1.00000
     87      -6.9862      1.00000
     88      -6.7150      1.00000
     89      -6.6876      1.00000
     90      -6.6316      1.00000
     91      -6.5897      1.00000
     92      -6.1261      1.00000
     93      -6.0559      1.00000
     94      -6.0433      1.00000
     95      -6.0244      1.00000
     96      -5.7496      1.00000
     97      -4.9758      1.00000
     98      -4.8397      1.00000
     99      -4.7105      1.00000
    100      -4.6755      1.00000
    101      -4.4848      1.00000
    102      -4.3530      1.00000
    103      -4.1112      1.00000
    104      -4.0558      1.00000
    105      -3.7558      1.00000
    106      -3.4666      1.00000
    107      -1.9543      0.00000
    108      -1.7730      0.00000
    109      -1.4816      0.00000
    110      -1.3565      0.00000
    111      -1.3386      0.00000
    112      -1.2957      0.00000
    113      -0.6837      0.00000
    114      -0.4734      0.00000
    115      -0.2362      0.00000
    116       0.0533      0.00000
    117       0.5979      0.00000
    118       0.6905      0.00000
    119       0.7696      0.00000
    120       1.0210      0.00000
    121       1.0921      0.00000
    122       1.1760      0.00000
    123       1.2552      0.00000
    124       1.3390      0.00000
    125       1.4461      0.00000
    126       1.6131      0.00000
    127       1.7533      0.00000
    128       1.8438      0.00000
    129       1.8538      0.00000
    130       1.8914      0.00000
    131       2.0422      0.00000
    132       2.2244      0.00000
    133       2.2492      0.00000
    134       2.3023      0.00000
    135       2.4851      0.00000
    136       2.6020      0.00000
    137       2.6368      0.00000
    138       2.7691      0.00000
    139       2.7831      0.00000
    140       2.8318      0.00000
    141       2.8422      0.00000
    142       2.8457      0.00000
    143       2.9356      0.00000
    144       3.1051      0.00000
    145       3.3203      0.00000
    146       3.3487      0.00000
    147       3.3835      0.00000
    148       3.4057      0.00000
    149       3.4272      0.00000
    150       3.5849      0.00000
    151       3.6289      0.00000
    152       3.6832      0.00000
    153       3.7326      0.00000
    154       3.9003      0.00000
    155       3.9371      0.00000
    156       3.9532      0.00000
    157       4.1130      0.00000
    158       4.2085      0.00000
    159       4.2608      0.00000
    160       4.2954      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2057      1.00000
      2     -22.1146      1.00000
      3     -21.9520      1.00000
      4     -21.3999      1.00000
      5     -21.0426      1.00000
      6     -21.0142      1.00000
      7     -20.4924      1.00000
      8     -20.4625      1.00000
      9     -20.2840      1.00000
     10     -20.2821      1.00000
     11     -19.9519      1.00000
     12     -19.8886      1.00000
     13     -18.8784      1.00000
     14     -18.8105      1.00000
     15     -18.3376      1.00000
     16     -18.3182      1.00000
     17     -18.1465      1.00000
     18     -18.1389      1.00000
     19     -17.8155      1.00000
     20     -17.7972      1.00000
     21     -17.2549      1.00000
     22     -17.2355      1.00000
     23     -17.1641      1.00000
     24     -17.1298      1.00000
     25     -16.1152      1.00000
     26     -15.8757      1.00000
     27     -15.8646      1.00000
     28     -15.8354      1.00000
     29     -15.2334      1.00000
     30     -14.5457      1.00000
     31     -14.5273      1.00000
     32     -14.2774      1.00000
     33     -13.9776      1.00000
     34     -13.9538      1.00000
     35     -13.8255      1.00000
     36     -13.8032      1.00000
     37     -13.6024      1.00000
     38     -13.5769      1.00000
     39     -13.3672      1.00000
     40     -12.6373      1.00000
     41     -12.1667      1.00000
     42     -12.1402      1.00000
     43     -12.0624      1.00000
     44     -12.0152      1.00000
     45     -11.6706      1.00000
     46     -11.6659      1.00000
     47     -11.1330      1.00000
     48     -11.1217      1.00000
     49     -10.7821      1.00000
     50     -10.7255      1.00000
     51     -10.5341      1.00000
     52     -10.2119      1.00000
     53     -10.2059      1.00000
     54     -10.1669      1.00000
     55     -10.0242      1.00000
     56      -9.9923      1.00000
     57      -9.9912      1.00000
     58      -9.8082      1.00000
     59      -9.7996      1.00000
     60      -9.7646      1.00000
     61      -9.7562      1.00000
     62      -9.4445      1.00000
     63      -9.4141      1.00000
     64      -9.0866      1.00000
     65      -9.0486      1.00000
     66      -9.0239      1.00000
     67      -8.9677      1.00000
     68      -8.8955      1.00000
     69      -8.7126      1.00000
     70      -8.7034      1.00000
     71      -8.5519      1.00000
     72      -8.5416      1.00000
     73      -8.4763      1.00000
     74      -8.4597      1.00000
     75      -8.4567      1.00000
     76      -8.3073      1.00000
     77      -8.0941      1.00000
     78      -8.0874      1.00000
     79      -7.9296      1.00000
     80      -7.8298      1.00000
     81      -7.5978      1.00000
     82      -7.5335      1.00000
     83      -7.4386      1.00000
     84      -7.3163      1.00000
     85      -7.0011      1.00000
     86      -6.9258      1.00000
     87      -6.8881      1.00000
     88      -6.5237      1.00000
     89      -6.5113      1.00000
     90      -6.4765      1.00000
     91      -6.4175      1.00000
     92      -5.9276      1.00000
     93      -5.9061      1.00000
     94      -5.7884      1.00000
     95      -5.7740      1.00000
     96      -5.3706      1.00000
     97      -5.3636      1.00000
     98      -5.2227      1.00000
     99      -5.2148      1.00000
    100      -5.1977      1.00000
    101      -4.7194      1.00000
    102      -4.4436      1.00000
    103      -4.1915      1.00000
    104      -3.8222      1.00000
    105      -3.5673      1.00000
    106      -3.2204      1.00000
    107      -2.5658      0.00000
    108      -1.4662      0.00000
    109      -1.2720      0.00000
    110      -1.1871      0.00000
    111      -1.1839      0.00000
    112      -0.6473      0.00000
    113      -0.5546      0.00000
    114      -0.4170      0.00000
    115      -0.3482      0.00000
    116      -0.0803      0.00000
    117      -0.0683      0.00000
    118       0.1253      0.00000
    119       0.5906      0.00000
    120       0.6261      0.00000
    121       0.8660      0.00000
    122       0.9944      0.00000
    123       1.0132      0.00000
    124       1.5039      0.00000
    125       1.6990      0.00000
    126       1.7830      0.00000
    127       1.8789      0.00000
    128       2.1010      0.00000
    129       2.1261      0.00000
    130       2.1873      0.00000
    131       2.2074      0.00000
    132       2.2469      0.00000
    133       2.3343      0.00000
    134       2.4993      0.00000
    135       2.5016      0.00000
    136       2.6768      0.00000
    137       2.8437      0.00000
    138       2.8537      0.00000
    139       2.9604      0.00000
    140       2.9944      0.00000
    141       3.0524      0.00000
    142       3.1442      0.00000
    143       3.1687      0.00000
    144       3.2491      0.00000
    145       3.2536      0.00000
    146       3.2822      0.00000
    147       3.3070      0.00000
    148       3.3619      0.00000
    149       3.4253      0.00000
    150       3.5596      0.00000
    151       3.5760      0.00000
    152       3.6537      0.00000
    153       3.6607      0.00000
    154       3.6794      0.00000
    155       3.7121      0.00000
    156       3.9050      0.00000
    157       3.9666      0.00000
    158       4.0500      0.00000
    159       4.0931      0.00000
    160       4.1994      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2791      1.00000
      2     -22.0745      1.00000
      3     -21.7156      1.00000
      4     -21.6765      1.00000
      5     -20.9790      1.00000
      6     -20.9314      1.00000
      7     -20.6079      1.00000
      8     -20.5767      1.00000
      9     -20.5624      1.00000
     10     -20.0305      1.00000
     11     -19.5086      1.00000
     12     -19.4781      1.00000
     13     -19.3066      1.00000
     14     -19.2933      1.00000
     15     -18.4488      1.00000
     16     -18.4059      1.00000
     17     -17.9247      1.00000
     18     -17.9039      1.00000
     19     -17.7661      1.00000
     20     -17.7214      1.00000
     21     -17.4393      1.00000
     22     -17.4204      1.00000
     23     -17.3412      1.00000
     24     -16.4653      1.00000
     25     -16.4552      1.00000
     26     -15.9700      1.00000
     27     -15.4058      1.00000
     28     -15.4047      1.00000
     29     -15.0910      1.00000
     30     -15.0880      1.00000
     31     -14.8549      1.00000
     32     -14.8423      1.00000
     33     -14.2996      1.00000
     34     -14.2558      1.00000
     35     -13.4466      1.00000
     36     -13.4026      1.00000
     37     -13.1729      1.00000
     38     -13.1713      1.00000
     39     -12.9840      1.00000
     40     -12.9749      1.00000
     41     -12.6093      1.00000
     42     -12.6070      1.00000
     43     -12.2020      1.00000
     44     -11.5717      1.00000
     45     -11.5302      1.00000
     46     -11.3063      1.00000
     47     -11.2758      1.00000
     48     -11.1482      1.00000
     49     -10.6907      1.00000
     50     -10.6601      1.00000
     51     -10.5448      1.00000
     52     -10.3255      1.00000
     53     -10.3179      1.00000
     54     -10.1724      1.00000
     55     -10.1180      1.00000
     56     -10.1050      1.00000
     57      -9.8097      1.00000
     58      -9.7550      1.00000
     59      -9.7535      1.00000
     60      -9.7051      1.00000
     61      -9.7012      1.00000
     62      -9.6431      1.00000
     63      -9.3553      1.00000
     64      -9.3540      1.00000
     65      -9.3077      1.00000
     66      -9.0260      1.00000
     67      -8.9646      1.00000
     68      -8.9602      1.00000
     69      -8.7727      1.00000
     70      -8.5868      1.00000
     71      -8.5825      1.00000
     72      -8.4225      1.00000
     73      -8.3475      1.00000
     74      -8.3226      1.00000
     75      -8.3054      1.00000
     76      -8.2651      1.00000
     77      -8.2521      1.00000
     78      -8.2322      1.00000
     79      -7.9194      1.00000
     80      -7.7326      1.00000
     81      -7.3843      1.00000
     82      -7.3546      1.00000
     83      -7.3263      1.00000
     84      -7.2245      1.00000
     85      -7.1570      1.00000
     86      -7.0613      1.00000
     87      -6.9576      1.00000
     88      -6.9016      1.00000
     89      -6.6071      1.00000
     90      -6.5654      1.00000
     91      -6.2652      1.00000
     92      -5.9968      1.00000
     93      -5.9602      1.00000
     94      -5.6742      1.00000
     95      -5.6475      1.00000
     96      -5.3884      1.00000
     97      -5.3171      1.00000
     98      -5.2951      1.00000
     99      -5.2118      1.00000
    100      -5.2000      1.00000
    101      -4.5133      1.00000
    102      -4.3397      1.00000
    103      -3.9958      1.00000
    104      -3.8858      1.00000
    105      -3.7937      1.00000
    106      -3.4440      1.00000
    107      -2.0388      0.00000
    108      -1.8658      0.00000
    109      -1.2193      0.00000
    110      -1.1892      0.00000
    111      -1.0362      0.00000
    112      -0.7732      0.00000
    113      -0.6806      0.00000
    114      -0.6604      0.00000
    115      -0.6137      0.00000
    116      -0.1016      0.00000
    117       0.2178      0.00000
    118       0.2385      0.00000
    119       0.7802      0.00000
    120       0.9918      0.00000
    121       1.0754      0.00000
    122       1.2423      0.00000
    123       1.2524      0.00000
    124       1.3532      0.00000
    125       1.5797      0.00000
    126       1.5822      0.00000
    127       1.7162      0.00000
    128       1.8046      0.00000
    129       1.9601      0.00000
    130       1.9831      0.00000
    131       2.0497      0.00000
    132       2.2657      0.00000
    133       2.3347      0.00000
    134       2.4274      0.00000
    135       2.5535      0.00000
    136       2.6343      0.00000
    137       2.7370      0.00000
    138       2.8039      0.00000
    139       2.8518      0.00000
    140       2.8698      0.00000
    141       3.0422      0.00000
    142       3.1100      0.00000
    143       3.1668      0.00000
    144       3.2285      0.00000
    145       3.3723      0.00000
    146       3.4133      0.00000
    147       3.5158      0.00000
    148       3.5549      0.00000
    149       3.5892      0.00000
    150       3.6123      0.00000
    151       3.6599      0.00000
    152       3.7405      0.00000
    153       3.7529      0.00000
    154       3.7646      0.00000
    155       3.7844      0.00000
    156       3.8757      0.00000
    157       4.0294      0.00000
    158       4.0970      0.00000
    159       4.1746      0.00000
    160       4.2267      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4219      1.00000
      2     -21.5995      1.00000
      3     -21.4776      1.00000
      4     -21.4681      1.00000
      5     -21.4369      1.00000
      6     -21.4357      1.00000
      7     -21.4256      1.00000
      8     -19.7044      1.00000
      9     -19.6502      1.00000
     10     -19.6245      1.00000
     11     -19.6162      1.00000
     12     -19.6092      1.00000
     13     -19.6089      1.00000
     14     -18.7867      1.00000
     15     -18.7539      1.00000
     16     -18.7305      1.00000
     17     -18.7210      1.00000
     18     -18.7172      1.00000
     19     -18.7094      1.00000
     20     -16.6318      1.00000
     21     -16.6113      1.00000
     22     -16.5846      1.00000
     23     -16.5779      1.00000
     24     -16.5548      1.00000
     25     -16.5505      1.00000
     26     -15.6133      1.00000
     27     -15.5991      1.00000
     28     -15.5957      1.00000
     29     -15.5610      1.00000
     30     -15.5603      1.00000
     31     -15.5595      1.00000
     32     -14.2605      1.00000
     33     -14.2496      1.00000
     34     -14.2368      1.00000
     35     -14.2319      1.00000
     36     -14.2207      1.00000
     37     -14.2193      1.00000
     38     -11.9067      1.00000
     39     -11.8794      1.00000
     40     -11.8680      1.00000
     41     -11.8646      1.00000
     42     -11.8449      1.00000
     43     -11.8444      1.00000
     44     -11.7715      1.00000
     45     -11.7642      1.00000
     46     -11.7367      1.00000
     47     -11.7270      1.00000
     48     -11.7236      1.00000
     49     -11.7171      1.00000
     50     -10.6737      1.00000
     51     -10.3876      1.00000
     52     -10.3816      1.00000
     53     -10.3744      1.00000
     54     -10.3690      1.00000
     55     -10.3530      1.00000
     56     -10.3517      1.00000
     57      -9.9023      1.00000
     58      -9.4480      1.00000
     59      -9.4022      1.00000
     60      -9.3589      1.00000
     61      -9.3588      1.00000
     62      -9.3506      1.00000
     63      -9.1464      1.00000
     64      -9.1229      1.00000
     65      -9.1127      1.00000
     66      -9.0828      1.00000
     67      -9.0765      1.00000
     68      -9.0748      1.00000
     69      -9.0748      1.00000
     70      -9.0662      1.00000
     71      -9.0555      1.00000
     72      -9.0350      1.00000
     73      -9.0307      1.00000
     74      -9.0265      1.00000
     75      -8.1273      1.00000
     76      -7.7489      1.00000
     77      -7.4708      1.00000
     78      -7.4666      1.00000
     79      -7.4533      1.00000
     80      -7.4317      1.00000
     81      -7.4291      1.00000
     82      -7.4057      1.00000
     83      -7.3098      1.00000
     84      -7.2702      1.00000
     85      -7.2549      1.00000
     86      -7.2471      1.00000
     87      -7.1462      1.00000
     88      -7.0488      1.00000
     89      -6.4441      1.00000
     90      -6.4138      1.00000
     91      -6.3980      1.00000
     92      -6.3640      1.00000
     93      -6.3520      1.00000
     94      -6.3398      1.00000
     95      -5.9671      1.00000
     96      -5.9530      1.00000
     97      -4.8083      1.00000
     98      -4.5459      1.00000
     99      -4.4835      1.00000
    100      -4.4740      1.00000
    101      -4.3839      1.00000
    102      -4.3814      1.00000
    103      -4.2677      1.00000
    104      -4.1882      1.00000
    105      -3.7401      1.00000
    106      -3.4790      1.00000
    107      -1.8652      0.00000
    108      -1.6733      0.00000
    109      -1.6264      0.00000
    110      -1.5922      0.00000
    111      -1.5781      0.00000
    112      -1.5762      0.00000
    113      -0.4298      0.00000
    114       0.1407      0.00000
    115       0.1907      0.00000
    116       0.2544      0.00000
    117       0.2610      0.00000
    118       0.2698      0.00000
    119       0.4789      0.00000
    120       0.5583      0.00000
    121       1.2615      0.00000
    122       1.2951      0.00000
    123       1.5503      0.00000
    124       1.7747      0.00000
    125       1.7794      0.00000
    126       1.7826      0.00000
    127       1.7828      0.00000
    128       1.8287      0.00000
    129       1.9538      0.00000
    130       1.9684      0.00000
    131       1.9694      0.00000
    132       1.9846      0.00000
    133       1.9911      0.00000
    134       2.0876      0.00000
    135       2.2680      0.00000
    136       2.3431      0.00000
    137       2.6291      0.00000
    138       2.6330      0.00000
    139       2.6591      0.00000
    140       2.7197      0.00000
    141       2.9422      0.00000
    142       3.0321      0.00000
    143       3.0469      0.00000
    144       3.0475      0.00000
    145       3.0519      0.00000
    146       3.0535      0.00000
    147       3.1164      0.00000
    148       3.2868      0.00000
    149       3.4472      0.00000
    150       3.5231      0.00000
    151       3.8196      0.00000
    152       3.9483      0.00000
    153       3.9512      0.00000
    154       3.9537      0.00000
    155       3.9651      0.00000
    156       4.0053      0.00000
    157       4.1976      0.00000
    158       4.2673      0.00000
    159       4.2857      0.00000
    160       4.2879      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3853      1.00000
      2     -21.8263      1.00000
      3     -21.6343      1.00000
      4     -21.6065      1.00000
      5     -21.2709      1.00000
      6     -21.2313      1.00000
      7     -21.0525      1.00000
      8     -20.1641      1.00000
      9     -20.1256      1.00000
     10     -19.6065      1.00000
     11     -19.5952      1.00000
     12     -19.4130      1.00000
     13     -19.0861      1.00000
     14     -19.0591      1.00000
     15     -19.0451      1.00000
     16     -19.0380      1.00000
     17     -18.3590      1.00000
     18     -18.3499      1.00000
     19     -18.0151      1.00000
     20     -17.0662      1.00000
     21     -17.0272      1.00000
     22     -16.9429      1.00000
     23     -16.9387      1.00000
     24     -16.4671      1.00000
     25     -16.4653      1.00000
     26     -15.6136      1.00000
     27     -15.6051      1.00000
     28     -15.2513      1.00000
     29     -15.2399      1.00000
     30     -15.1809      1.00000
     31     -15.0951      1.00000
     32     -15.0678      1.00000
     33     -14.7002      1.00000
     34     -14.6939      1.00000
     35     -13.7289      1.00000
     36     -13.7208      1.00000
     37     -13.2321      1.00000
     38     -12.6131      1.00000
     39     -12.5830      1.00000
     40     -12.4528      1.00000
     41     -12.4446      1.00000
     42     -12.1107      1.00000
     43     -12.1033      1.00000
     44     -11.7186      1.00000
     45     -11.6877      1.00000
     46     -11.2379      1.00000
     47     -11.2257      1.00000
     48     -11.0172      1.00000
     49     -11.0036      1.00000
     50     -10.9266      1.00000
     51     -10.9052      1.00000
     52     -10.6286      1.00000
     53     -10.1541      1.00000
     54     -10.1474      1.00000
     55     -10.0890      1.00000
     56      -9.9960      1.00000
     57      -9.7032      1.00000
     58      -9.6904      1.00000
     59      -9.6535      1.00000
     60      -9.5897      1.00000
     61      -9.5822      1.00000
     62      -9.5567      1.00000
     63      -9.3085      1.00000
     64      -9.2955      1.00000
     65      -9.2726      1.00000
     66      -9.2398      1.00000
     67      -9.1338      1.00000
     68      -9.1158      1.00000
     69      -9.1053      1.00000
     70      -8.9365      1.00000
     71      -8.8761      1.00000
     72      -8.6087      1.00000
     73      -8.5920      1.00000
     74      -8.2345      1.00000
     75      -8.0982      1.00000
     76      -7.9125      1.00000
     77      -7.8678      1.00000
     78      -7.7710      1.00000
     79      -7.7541      1.00000
     80      -7.6890      1.00000
     81      -7.5616      1.00000
     82      -7.3386      1.00000
     83      -7.3205      1.00000
     84      -7.2027      1.00000
     85      -7.1225      1.00000
     86      -7.0295      1.00000
     87      -7.0170      1.00000
     88      -6.7025      1.00000
     89      -6.6769      1.00000
     90      -6.6387      1.00000
     91      -6.5970      1.00000
     92      -6.1145      1.00000
     93      -6.0630      1.00000
     94      -6.0335      1.00000
     95      -6.0122      1.00000
     96      -5.7815      1.00000
     97      -4.9750      1.00000
     98      -4.8337      1.00000
     99      -4.7471      1.00000
    100      -4.6786      1.00000
    101      -4.4700      1.00000
    102      -4.2044      1.00000
    103      -4.1746      1.00000
    104      -4.1286      1.00000
    105      -3.7305      1.00000
    106      -3.4893      1.00000
    107      -1.8727      0.00000
    108      -1.8110      0.00000
    109      -1.5268      0.00000
    110      -1.3809      0.00000
    111      -1.3231      0.00000
    112      -1.2894      0.00000
    113      -0.7209      0.00000
    114      -0.3774      0.00000
    115      -0.2551      0.00000
    116       0.0382      0.00000
    117       0.5640      0.00000
    118       0.6941      0.00000
    119       0.7461      0.00000
    120       1.0481      0.00000
    121       1.0966      0.00000
    122       1.1546      0.00000
    123       1.2285      0.00000
    124       1.3860      0.00000
    125       1.5327      0.00000
    126       1.5973      0.00000
    127       1.7203      0.00000
    128       1.8003      0.00000
    129       1.8523      0.00000
    130       1.8799      0.00000
    131       2.1004      0.00000
    132       2.2009      0.00000
    133       2.2470      0.00000
    134       2.3164      0.00000
    135       2.5239      0.00000
    136       2.6041      0.00000
    137       2.6123      0.00000
    138       2.7801      0.00000
    139       2.7891      0.00000
    140       2.8193      0.00000
    141       2.8294      0.00000
    142       2.9013      0.00000
    143       2.9428      0.00000
    144       3.0971      0.00000
    145       3.1650      0.00000
    146       3.3204      0.00000
    147       3.3519      0.00000
    148       3.4088      0.00000
    149       3.4694      0.00000
    150       3.6024      0.00000
    151       3.6410      0.00000
    152       3.6580      0.00000
    153       3.7125      0.00000
    154       3.9215      0.00000
    155       3.9642      0.00000
    156       4.0245      0.00000
    157       4.0724      0.00000
    158       4.2401      0.00000
    159       4.2549      0.00000
    160       4.2851      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2793      1.00000
      2     -22.0736      1.00000
      3     -21.7128      1.00000
      4     -21.6809      1.00000
      5     -20.9758      1.00000
      6     -20.9349      1.00000
      7     -20.6081      1.00000
      8     -20.5712      1.00000
      9     -20.5648      1.00000
     10     -20.0284      1.00000
     11     -19.5013      1.00000
     12     -19.4894      1.00000
     13     -19.3049      1.00000
     14     -19.2992      1.00000
     15     -18.4443      1.00000
     16     -18.4073      1.00000
     17     -17.9203      1.00000
     18     -17.9113      1.00000
     19     -17.7583      1.00000
     20     -17.7223      1.00000
     21     -17.4343      1.00000
     22     -17.4270      1.00000
     23     -17.3371      1.00000
     24     -16.4631      1.00000
     25     -16.4627      1.00000
     26     -15.9627      1.00000
     27     -15.4149      1.00000
     28     -15.4066      1.00000
     29     -15.0979      1.00000
     30     -15.0906      1.00000
     31     -14.8535      1.00000
     32     -14.8448      1.00000
     33     -14.2878      1.00000
     34     -14.2547      1.00000
     35     -13.4347      1.00000
     36     -13.4021      1.00000
     37     -13.1797      1.00000
     38     -13.1712      1.00000
     39     -12.9784      1.00000
     40     -12.9720      1.00000
     41     -12.6152      1.00000
     42     -12.6072      1.00000
     43     -12.1943      1.00000
     44     -11.5777      1.00000
     45     -11.5439      1.00000
     46     -11.3113      1.00000
     47     -11.2887      1.00000
     48     -11.1389      1.00000
     49     -10.6799      1.00000
     50     -10.6603      1.00000
     51     -10.5516      1.00000
     52     -10.3218      1.00000
     53     -10.3126      1.00000
     54     -10.1664      1.00000
     55     -10.1190      1.00000
     56     -10.1126      1.00000
     57      -9.7965      1.00000
     58      -9.7570      1.00000
     59      -9.7535      1.00000
     60      -9.7031      1.00000
     61      -9.6880      1.00000
     62      -9.6592      1.00000
     63      -9.3558      1.00000
     64      -9.3456      1.00000
     65      -9.3192      1.00000
     66      -9.0399      1.00000
     67      -8.9562      1.00000
     68      -8.9504      1.00000
     69      -8.7971      1.00000
     70      -8.5981      1.00000
     71      -8.5564      1.00000
     72      -8.3964      1.00000
     73      -8.3619      1.00000
     74      -8.3257      1.00000
     75      -8.3056      1.00000
     76      -8.2625      1.00000
     77      -8.2561      1.00000
     78      -8.2398      1.00000
     79      -7.9017      1.00000
     80      -7.6497      1.00000
     81      -7.5495      1.00000
     82      -7.3853      1.00000
     83      -7.3478      1.00000
     84      -7.2287      1.00000
     85      -7.0944      1.00000
     86      -7.0382      1.00000
     87      -6.9319      1.00000
     88      -6.8478      1.00000
     89      -6.6175      1.00000
     90      -6.5568      1.00000
     91      -6.2747      1.00000
     92      -6.0422      1.00000
     93      -5.9502      1.00000
     94      -5.6609      1.00000
     95      -5.6241      1.00000
     96      -5.4626      1.00000
     97      -5.3182      1.00000
     98      -5.2784      1.00000
     99      -5.2117      1.00000
    100      -5.1957      1.00000
    101      -4.5103      1.00000
    102      -4.2088      1.00000
    103      -4.0616      1.00000
    104      -3.9909      1.00000
    105      -3.6953      1.00000
    106      -3.4997      1.00000
    107      -1.9483      0.00000
    108      -1.8977      0.00000
    109      -1.3412      0.00000
    110      -1.0864      0.00000
    111      -1.0620      0.00000
    112      -0.8024      0.00000
    113      -0.6826      0.00000
    114      -0.6483      0.00000
    115      -0.6094      0.00000
    116      -0.1082      0.00000
    117       0.2128      0.00000
    118       0.3292      0.00000
    119       0.7036      0.00000
    120       0.8970      0.00000
    121       1.1248      0.00000
    122       1.1972      0.00000
    123       1.3337      0.00000
    124       1.4313      0.00000
    125       1.5520      0.00000
    126       1.5747      0.00000
    127       1.6923      0.00000
    128       1.8149      0.00000
    129       1.8897      0.00000
    130       2.0579      0.00000
    131       2.1030      0.00000
    132       2.3058      0.00000
    133       2.3525      0.00000
    134       2.4110      0.00000
    135       2.5648      0.00000
    136       2.6366      0.00000
    137       2.7256      0.00000
    138       2.7395      0.00000
    139       2.8004      0.00000
    140       2.8853      0.00000
    141       3.0493      0.00000
    142       3.0625      0.00000
    143       3.1792      0.00000
    144       3.2711      0.00000
    145       3.3678      0.00000
    146       3.4208      0.00000
    147       3.4400      0.00000
    148       3.5623      0.00000
    149       3.5809      0.00000
    150       3.6033      0.00000
    151       3.6592      0.00000
    152       3.6815      0.00000
    153       3.7694      0.00000
    154       3.7786      0.00000
    155       3.8070      0.00000
    156       3.8954      0.00000
    157       3.9297      0.00000
    158       4.0031      0.00000
    159       4.2225      0.00000
    160       4.2328      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3132      1.00000
      2     -21.9588      1.00000
      3     -21.8893      1.00000
      4     -21.3776      1.00000
      5     -21.3483      1.00000
      6     -20.8354      1.00000
      7     -20.7698      1.00000
      8     -20.6193      1.00000
      9     -20.0755      1.00000
     10     -20.0699      1.00000
     11     -19.7131      1.00000
     12     -19.6885      1.00000
     13     -18.9941      1.00000
     14     -18.9883      1.00000
     15     -18.6406      1.00000
     16     -18.6246      1.00000
     17     -18.4567      1.00000
     18     -17.6709      1.00000
     19     -17.6206      1.00000
     20     -17.6173      1.00000
     21     -17.5749      1.00000
     22     -17.1262      1.00000
     23     -17.1043      1.00000
     24     -16.9657      1.00000
     25     -16.0049      1.00000
     26     -15.9282      1.00000
     27     -15.5821      1.00000
     28     -15.5819      1.00000
     29     -15.2848      1.00000
     30     -14.8629      1.00000
     31     -14.8354      1.00000
     32     -14.5746      1.00000
     33     -14.5325      1.00000
     34     -14.1716      1.00000
     35     -14.1580      1.00000
     36     -13.1492      1.00000
     37     -13.0943      1.00000
     38     -13.0247      1.00000
     39     -13.0149      1.00000
     40     -12.7051      1.00000
     41     -12.7009      1.00000
     42     -12.3417      1.00000
     43     -12.3102      1.00000
     44     -11.6406      1.00000
     45     -11.6273      1.00000
     46     -11.5717      1.00000
     47     -10.9514      1.00000
     48     -10.9181      1.00000
     49     -10.6306      1.00000
     50     -10.6221      1.00000
     51     -10.5450      1.00000
     52     -10.5025      1.00000
     53     -10.5019      1.00000
     54     -10.4389      1.00000
     55     -10.3512      1.00000
     56     -10.0964      1.00000
     57      -9.9000      1.00000
     58      -9.5995      1.00000
     59      -9.5468      1.00000
     60      -9.4528      1.00000
     61      -9.4153      1.00000
     62      -9.4050      1.00000
     63      -9.3713      1.00000
     64      -9.3700      1.00000
     65      -9.2852      1.00000
     66      -9.1743      1.00000
     67      -9.1495      1.00000
     68      -9.1169      1.00000
     69      -8.8688      1.00000
     70      -8.8617      1.00000
     71      -8.8131      1.00000
     72      -8.5936      1.00000
     73      -8.4768      1.00000
     74      -8.2022      1.00000
     75      -8.1670      1.00000
     76      -8.0064      1.00000
     77      -7.9651      1.00000
     78      -7.8451      1.00000
     79      -7.8346      1.00000
     80      -7.7036      1.00000
     81      -7.6954      1.00000
     82      -7.6196      1.00000
     83      -7.4480      1.00000
     84      -7.2968      1.00000
     85      -7.2530      1.00000
     86      -6.9094      1.00000
     87      -6.8965      1.00000
     88      -6.5873      1.00000
     89      -6.5502      1.00000
     90      -6.4015      1.00000
     91      -6.2544      1.00000
     92      -6.2335      1.00000
     93      -6.2133      1.00000
     94      -6.0203      1.00000
     95      -5.5486      1.00000
     96      -5.4873      1.00000
     97      -5.3487      1.00000
     98      -5.2174      1.00000
     99      -4.9820      1.00000
    100      -4.7337      1.00000
    101      -4.6791      1.00000
    102      -4.3885      1.00000
    103      -4.2041      1.00000
    104      -3.8733      1.00000
    105      -3.5484      1.00000
    106      -3.5118      1.00000
    107      -2.2572      0.00000
    108      -1.4600      0.00000
    109      -1.3750      0.00000
    110      -1.2438      0.00000
    111      -1.0993      0.00000
    112      -0.9454      0.00000
    113      -0.8650      0.00000
    114      -0.8052      0.00000
    115      -0.1397      0.00000
    116       0.1054      0.00000
    117       0.2350      0.00000
    118       0.3763      0.00000
    119       0.6615      0.00000
    120       0.8355      0.00000
    121       0.9348      0.00000
    122       1.0728      0.00000
    123       1.2418      0.00000
    124       1.4565      0.00000
    125       1.5663      0.00000
    126       1.7645      0.00000
    127       1.7926      0.00000
    128       1.8682      0.00000
    129       1.9852      0.00000
    130       2.0447      0.00000
    131       2.1861      0.00000
    132       2.1877      0.00000
    133       2.4154      0.00000
    134       2.4283      0.00000
    135       2.5117      0.00000
    136       2.5972      0.00000
    137       2.6314      0.00000
    138       2.7056      0.00000
    139       2.7805      0.00000
    140       2.8528      0.00000
    141       2.9632      0.00000
    142       3.0856      0.00000
    143       3.1809      0.00000
    144       3.2101      0.00000
    145       3.2407      0.00000
    146       3.3164      0.00000
    147       3.3355      0.00000
    148       3.4743      0.00000
    149       3.5123      0.00000
    150       3.6953      0.00000
    151       3.7258      0.00000
    152       3.7278      0.00000
    153       3.8635      0.00000
    154       3.9122      0.00000
    155       3.9526      0.00000
    156       3.9759      0.00000
    157       3.9976      0.00000
    158       4.0523      0.00000
    159       4.0576      0.00000
    160       4.0644      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2064      1.00000
      2     -22.1131      1.00000
      3     -21.9528      1.00000
      4     -21.4009      1.00000
      5     -21.0460      1.00000
      6     -21.0099      1.00000
      7     -20.4973      1.00000
      8     -20.4577      1.00000
      9     -20.2908      1.00000
     10     -20.2714      1.00000
     11     -19.9551      1.00000
     12     -19.8892      1.00000
     13     -18.8810      1.00000
     14     -18.8121      1.00000
     15     -18.3496      1.00000
     16     -18.3029      1.00000
     17     -18.1509      1.00000
     18     -18.1334      1.00000
     19     -17.8237      1.00000
     20     -17.7859      1.00000
     21     -17.2499      1.00000
     22     -17.2427      1.00000
     23     -17.1613      1.00000
     24     -17.1328      1.00000
     25     -16.1058      1.00000
     26     -15.8844      1.00000
     27     -15.8681      1.00000
     28     -15.8351      1.00000
     29     -15.2344      1.00000
     30     -14.5558      1.00000
     31     -14.5271      1.00000
     32     -14.2788      1.00000
     33     -13.9613      1.00000
     34     -13.9531      1.00000
     35     -13.8191      1.00000
     36     -13.8040      1.00000
     37     -13.6143      1.00000
     38     -13.5698      1.00000
     39     -13.3656      1.00000
     40     -12.6308      1.00000
     41     -12.1821      1.00000
     42     -12.1329      1.00000
     43     -12.0715      1.00000
     44     -12.0191      1.00000
     45     -11.6666      1.00000
     46     -11.6531      1.00000
     47     -11.1419      1.00000
     48     -11.1196      1.00000
     49     -10.7971      1.00000
     50     -10.7335      1.00000
     51     -10.5273      1.00000
     52     -10.2082      1.00000
     53     -10.1998      1.00000
     54     -10.1609      1.00000
     55     -10.0168      1.00000
     56      -9.9999      1.00000
     57      -9.9881      1.00000
     58      -9.8040      1.00000
     59      -9.7891      1.00000
     60      -9.7652      1.00000
     61      -9.7573      1.00000
     62      -9.4581      1.00000
     63      -9.4156      1.00000
     64      -9.0808      1.00000
     65      -9.0689      1.00000
     66      -9.0389      1.00000
     67      -8.9575      1.00000
     68      -8.8745      1.00000
     69      -8.7120      1.00000
     70      -8.6953      1.00000
     71      -8.5692      1.00000
     72      -8.5469      1.00000
     73      -8.4991      1.00000
     74      -8.4589      1.00000
     75      -8.4551      1.00000
     76      -8.2587      1.00000
     77      -8.1227      1.00000
     78      -8.0409      1.00000
     79      -7.9143      1.00000
     80      -7.8619      1.00000
     81      -7.6142      1.00000
     82      -7.5502      1.00000
     83      -7.4880      1.00000
     84      -7.2686      1.00000
     85      -6.9941      1.00000
     86      -6.9222      1.00000
     87      -6.8805      1.00000
     88      -6.5365      1.00000
     89      -6.4911      1.00000
     90      -6.4606      1.00000
     91      -6.4102      1.00000
     92      -5.9824      1.00000
     93      -5.8962      1.00000
     94      -5.7822      1.00000
     95      -5.7606      1.00000
     96      -5.4313      1.00000
     97      -5.3290      1.00000
     98      -5.2289      1.00000
     99      -5.2160      1.00000
    100      -5.1906      1.00000
    101      -4.6938      1.00000
    102      -4.4229      1.00000
    103      -4.2106      1.00000
    104      -3.8360      1.00000
    105      -3.5311      1.00000
    106      -3.2759      1.00000
    107      -2.5319      0.00000
    108      -1.4606      0.00000
    109      -1.2693      0.00000
    110      -1.2045      0.00000
    111      -1.1750      0.00000
    112      -0.7224      0.00000
    113      -0.5062      0.00000
    114      -0.4149      0.00000
    115      -0.3437      0.00000
    116      -0.1477      0.00000
    117      -0.0048      0.00000
    118       0.1949      0.00000
    119       0.5585      0.00000
    120       0.6105      0.00000
    121       0.8047      0.00000
    122       0.9179      0.00000
    123       1.1420      0.00000
    124       1.5073      0.00000
    125       1.6469      0.00000
    126       1.8713      0.00000
    127       1.9389      0.00000
    128       2.1054      0.00000
    129       2.1154      0.00000
    130       2.1311      0.00000
    131       2.1711      0.00000
    132       2.2754      0.00000
    133       2.3155      0.00000
    134       2.4640      0.00000
    135       2.5796      0.00000
    136       2.6661      0.00000
    137       2.8597      0.00000
    138       2.8702      0.00000
    139       2.9030      0.00000
    140       3.0114      0.00000
    141       3.0333      0.00000
    142       3.1496      0.00000
    143       3.1548      0.00000
    144       3.2289      0.00000
    145       3.2782      0.00000
    146       3.2842      0.00000
    147       3.3048      0.00000
    148       3.3519      0.00000
    149       3.4327      0.00000
    150       3.4537      0.00000
    151       3.5629      0.00000
    152       3.6201      0.00000
    153       3.6784      0.00000
    154       3.7174      0.00000
    155       3.7864      0.00000
    156       3.9011      0.00000
    157       3.9405      0.00000
    158       4.0135      0.00000
    159       4.1488      0.00000
    160       4.2402      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3132      1.00000
      2     -21.9603      1.00000
      3     -21.8879      1.00000
      4     -21.3805      1.00000
      5     -21.3439      1.00000
      6     -20.8363      1.00000
      7     -20.7697      1.00000
      8     -20.6220      1.00000
      9     -20.0857      1.00000
     10     -20.0567      1.00000
     11     -19.7156      1.00000
     12     -19.6867      1.00000
     13     -19.0069      1.00000
     14     -18.9755      1.00000
     15     -18.6459      1.00000
     16     -18.6130      1.00000
     17     -18.4595      1.00000
     18     -17.6590      1.00000
     19     -17.6476      1.00000
     20     -17.6096      1.00000
     21     -17.5774      1.00000
     22     -17.1350      1.00000
     23     -17.0948      1.00000
     24     -16.9623      1.00000
     25     -16.0055      1.00000
     26     -15.9191      1.00000
     27     -15.5977      1.00000
     28     -15.5730      1.00000
     29     -15.2788      1.00000
     30     -14.8754      1.00000
     31     -14.8274      1.00000
     32     -14.5755      1.00000
     33     -14.5377      1.00000
     34     -14.1600      1.00000
     35     -14.1563      1.00000
     36     -13.1618      1.00000
     37     -13.0948      1.00000
     38     -13.0252      1.00000
     39     -13.0186      1.00000
     40     -12.7195      1.00000
     41     -12.6950      1.00000
     42     -12.3376      1.00000
     43     -12.3091      1.00000
     44     -11.6288      1.00000
     45     -11.6199      1.00000
     46     -11.5671      1.00000
     47     -10.9395      1.00000
     48     -10.9184      1.00000
     49     -10.6702      1.00000
     50     -10.5921      1.00000
     51     -10.5714      1.00000
     52     -10.4958      1.00000
     53     -10.4871      1.00000
     54     -10.4401      1.00000
     55     -10.3592      1.00000
     56     -10.1009      1.00000
     57      -9.8943      1.00000
     58      -9.6122      1.00000
     59      -9.5551      1.00000
     60      -9.4534      1.00000
     61      -9.4143      1.00000
     62      -9.4071      1.00000
     63      -9.3821      1.00000
     64      -9.3739      1.00000
     65      -9.2643      1.00000
     66      -9.1632      1.00000
     67      -9.1391      1.00000
     68      -9.1137      1.00000
     69      -8.8674      1.00000
     70      -8.8528      1.00000
     71      -8.8006      1.00000
     72      -8.5945      1.00000
     73      -8.5252      1.00000
     74      -8.1927      1.00000
     75      -8.1672      1.00000
     76      -8.0737      1.00000
     77      -7.8603      1.00000
     78      -7.8393      1.00000
     79      -7.8245      1.00000
     80      -7.7135      1.00000
     81      -7.6971      1.00000
     82      -7.5942      1.00000
     83      -7.5305      1.00000
     84      -7.3475      1.00000
     85      -7.1672      1.00000
     86      -6.9068      1.00000
     87      -6.8935      1.00000
     88      -6.5893      1.00000
     89      -6.5513      1.00000
     90      -6.4110      1.00000
     91      -6.3001      1.00000
     92      -6.2454      1.00000
     93      -6.1991      1.00000
     94      -6.0041      1.00000
     95      -5.5311      1.00000
     96      -5.4671      1.00000
     97      -5.3145      1.00000
     98      -5.2103      1.00000
     99      -5.0466      1.00000
    100      -4.7227      1.00000
    101      -4.6730      1.00000
    102      -4.4252      1.00000
    103      -4.1955      1.00000
    104      -3.8446      1.00000
    105      -3.6355      1.00000
    106      -3.4167      1.00000
    107      -2.2949      0.00000
    108      -1.5121      0.00000
    109      -1.2726      0.00000
    110      -1.2643      0.00000
    111      -1.0357      0.00000
    112      -0.9825      0.00000
    113      -0.8706      0.00000
    114      -0.8026      0.00000
    115      -0.2617      0.00000
    116       0.2030      0.00000
    117       0.2372      0.00000
    118       0.3604      0.00000
    119       0.6996      0.00000
    120       0.8900      0.00000
    121       0.9226      0.00000
    122       1.0487      0.00000
    123       1.1757      0.00000
    124       1.5179      0.00000
    125       1.5762      0.00000
    126       1.7149      0.00000
    127       1.7758      0.00000
    128       1.8297      0.00000
    129       1.9543      0.00000
    130       2.0016      0.00000
    131       2.1744      0.00000
    132       2.2794      0.00000
    133       2.4182      0.00000
    134       2.4307      0.00000
    135       2.5103      0.00000
    136       2.5989      0.00000
    137       2.6152      0.00000
    138       2.7088      0.00000
    139       2.7586      0.00000
    140       2.8811      0.00000
    141       3.0466      0.00000
    142       3.0836      0.00000
    143       3.1823      0.00000
    144       3.2308      0.00000
    145       3.2410      0.00000
    146       3.3012      0.00000
    147       3.3497      0.00000
    148       3.4632      0.00000
    149       3.5332      0.00000
    150       3.6976      0.00000
    151       3.7141      0.00000
    152       3.7568      0.00000
    153       3.8354      0.00000
    154       3.8870      0.00000
    155       3.9388      0.00000
    156       3.9828      0.00000
    157       3.9922      0.00000
    158       4.0243      0.00000
    159       4.0427      0.00000
    160       4.1068      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3853      1.00000
      2     -21.8271      1.00000
      3     -21.6369      1.00000
      4     -21.6020      1.00000
      5     -21.2747      1.00000
      6     -21.2278      1.00000
      7     -21.0535      1.00000
      8     -20.1686      1.00000
      9     -20.1226      1.00000
     10     -19.6121      1.00000
     11     -19.5854      1.00000
     12     -19.4147      1.00000
     13     -19.0923      1.00000
     14     -19.0523      1.00000
     15     -19.0479      1.00000
     16     -19.0364      1.00000
     17     -18.3633      1.00000
     18     -18.3432      1.00000
     19     -18.0178      1.00000
     20     -17.0735      1.00000
     21     -17.0252      1.00000
     22     -16.9480      1.00000
     23     -16.9336      1.00000
     24     -16.4699      1.00000
     25     -16.4580      1.00000
     26     -15.6045      1.00000
     27     -15.6040      1.00000
     28     -15.2496      1.00000
     29     -15.2372      1.00000
     30     -15.1932      1.00000
     31     -15.1020      1.00000
     32     -15.0689      1.00000
     33     -14.6939      1.00000
     34     -14.6928      1.00000
     35     -13.7219      1.00000
     36     -13.7217      1.00000
     37     -13.2394      1.00000
     38     -12.6262      1.00000
     39     -12.5818      1.00000
     40     -12.4549      1.00000
     41     -12.4493      1.00000
     42     -12.1047      1.00000
     43     -12.0994      1.00000
     44     -11.7133      1.00000
     45     -11.6745      1.00000
     46     -11.2442      1.00000
     47     -11.2228      1.00000
     48     -11.0201      1.00000
     49     -11.0084      1.00000
     50     -10.9225      1.00000
     51     -10.8936      1.00000
     52     -10.6347      1.00000
     53     -10.1736      1.00000
     54     -10.1504      1.00000
     55     -10.0908      1.00000
     56      -9.9904      1.00000
     57      -9.6972      1.00000
     58      -9.6898      1.00000
     59      -9.6676      1.00000
     60      -9.5882      1.00000
     61      -9.5644      1.00000
     62      -9.5502      1.00000
     63      -9.3155      1.00000
     64      -9.3042      1.00000
     65      -9.2819      1.00000
     66      -9.2329      1.00000
     67      -9.1209      1.00000
     68      -9.1160      1.00000
     69      -9.1127      1.00000
     70      -8.9374      1.00000
     71      -8.8657      1.00000
     72      -8.6021      1.00000
     73      -8.5837      1.00000
     74      -8.2698      1.00000
     75      -8.1094      1.00000
     76      -7.8600      1.00000
     77      -7.8420      1.00000
     78      -7.7907      1.00000
     79      -7.7678      1.00000
     80      -7.7598      1.00000
     81      -7.4486      1.00000
     82      -7.3392      1.00000
     83      -7.3276      1.00000
     84      -7.2627      1.00000
     85      -7.1584      1.00000
     86      -7.0079      1.00000
     87      -6.9862      1.00000
     88      -6.7150      1.00000
     89      -6.6876      1.00000
     90      -6.6316      1.00000
     91      -6.5897      1.00000
     92      -6.1261      1.00000
     93      -6.0559      1.00000
     94      -6.0433      1.00000
     95      -6.0244      1.00000
     96      -5.7496      1.00000
     97      -4.9758      1.00000
     98      -4.8397      1.00000
     99      -4.7105      1.00000
    100      -4.6755      1.00000
    101      -4.4848      1.00000
    102      -4.3530      1.00000
    103      -4.1112      1.00000
    104      -4.0558      1.00000
    105      -3.7558      1.00000
    106      -3.4666      1.00000
    107      -1.9543      0.00000
    108      -1.7730      0.00000
    109      -1.4816      0.00000
    110      -1.3565      0.00000
    111      -1.3386      0.00000
    112      -1.2957      0.00000
    113      -0.6837      0.00000
    114      -0.4734      0.00000
    115      -0.2362      0.00000
    116       0.0533      0.00000
    117       0.5979      0.00000
    118       0.6905      0.00000
    119       0.7696      0.00000
    120       1.0210      0.00000
    121       1.0921      0.00000
    122       1.1760      0.00000
    123       1.2552      0.00000
    124       1.3390      0.00000
    125       1.4461      0.00000
    126       1.6131      0.00000
    127       1.7533      0.00000
    128       1.8438      0.00000
    129       1.8538      0.00000
    130       1.8914      0.00000
    131       2.0422      0.00000
    132       2.2244      0.00000
    133       2.2492      0.00000
    134       2.3023      0.00000
    135       2.4850      0.00000
    136       2.6020      0.00000
    137       2.6368      0.00000
    138       2.7691      0.00000
    139       2.7832      0.00000
    140       2.8318      0.00000
    141       2.8422      0.00000
    142       2.8457      0.00000
    143       2.9356      0.00000
    144       3.1051      0.00000
    145       3.3203      0.00000
    146       3.3487      0.00000
    147       3.3834      0.00000
    148       3.4057      0.00000
    149       3.4272      0.00000
    150       3.5849      0.00000
    151       3.6289      0.00000
    152       3.6832      0.00000
    153       3.7326      0.00000
    154       3.9003      0.00000
    155       3.9371      0.00000
    156       3.9532      0.00000
    157       4.1130      0.00000
    158       4.2085      0.00000
    159       4.2608      0.00000
    160       4.2929      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2057      1.00000
      2     -22.1146      1.00000
      3     -21.9520      1.00000
      4     -21.3999      1.00000
      5     -21.0426      1.00000
      6     -21.0142      1.00000
      7     -20.4924      1.00000
      8     -20.4625      1.00000
      9     -20.2840      1.00000
     10     -20.2821      1.00000
     11     -19.9519      1.00000
     12     -19.8886      1.00000
     13     -18.8784      1.00000
     14     -18.8105      1.00000
     15     -18.3376      1.00000
     16     -18.3182      1.00000
     17     -18.1465      1.00000
     18     -18.1389      1.00000
     19     -17.8155      1.00000
     20     -17.7972      1.00000
     21     -17.2549      1.00000
     22     -17.2355      1.00000
     23     -17.1641      1.00000
     24     -17.1298      1.00000
     25     -16.1152      1.00000
     26     -15.8757      1.00000
     27     -15.8646      1.00000
     28     -15.8354      1.00000
     29     -15.2334      1.00000
     30     -14.5457      1.00000
     31     -14.5273      1.00000
     32     -14.2774      1.00000
     33     -13.9776      1.00000
     34     -13.9538      1.00000
     35     -13.8255      1.00000
     36     -13.8032      1.00000
     37     -13.6024      1.00000
     38     -13.5769      1.00000
     39     -13.3672      1.00000
     40     -12.6373      1.00000
     41     -12.1667      1.00000
     42     -12.1402      1.00000
     43     -12.0624      1.00000
     44     -12.0152      1.00000
     45     -11.6706      1.00000
     46     -11.6659      1.00000
     47     -11.1330      1.00000
     48     -11.1217      1.00000
     49     -10.7821      1.00000
     50     -10.7255      1.00000
     51     -10.5341      1.00000
     52     -10.2119      1.00000
     53     -10.2059      1.00000
     54     -10.1669      1.00000
     55     -10.0242      1.00000
     56      -9.9923      1.00000
     57      -9.9912      1.00000
     58      -9.8082      1.00000
     59      -9.7996      1.00000
     60      -9.7646      1.00000
     61      -9.7562      1.00000
     62      -9.4445      1.00000
     63      -9.4141      1.00000
     64      -9.0866      1.00000
     65      -9.0486      1.00000
     66      -9.0239      1.00000
     67      -8.9677      1.00000
     68      -8.8955      1.00000
     69      -8.7126      1.00000
     70      -8.7034      1.00000
     71      -8.5519      1.00000
     72      -8.5416      1.00000
     73      -8.4763      1.00000
     74      -8.4597      1.00000
     75      -8.4567      1.00000
     76      -8.3073      1.00000
     77      -8.0941      1.00000
     78      -8.0874      1.00000
     79      -7.9296      1.00000
     80      -7.8298      1.00000
     81      -7.5978      1.00000
     82      -7.5335      1.00000
     83      -7.4386      1.00000
     84      -7.3163      1.00000
     85      -7.0011      1.00000
     86      -6.9258      1.00000
     87      -6.8881      1.00000
     88      -6.5237      1.00000
     89      -6.5113      1.00000
     90      -6.4765      1.00000
     91      -6.4175      1.00000
     92      -5.9276      1.00000
     93      -5.9061      1.00000
     94      -5.7884      1.00000
     95      -5.7740      1.00000
     96      -5.3706      1.00000
     97      -5.3636      1.00000
     98      -5.2227      1.00000
     99      -5.2148      1.00000
    100      -5.1977      1.00000
    101      -4.7194      1.00000
    102      -4.4436      1.00000
    103      -4.1915      1.00000
    104      -3.8222      1.00000
    105      -3.5673      1.00000
    106      -3.2204      1.00000
    107      -2.5658      0.00000
    108      -1.4662      0.00000
    109      -1.2720      0.00000
    110      -1.1871      0.00000
    111      -1.1839      0.00000
    112      -0.6473      0.00000
    113      -0.5546      0.00000
    114      -0.4170      0.00000
    115      -0.3482      0.00000
    116      -0.0803      0.00000
    117      -0.0683      0.00000
    118       0.1253      0.00000
    119       0.5906      0.00000
    120       0.6261      0.00000
    121       0.8660      0.00000
    122       0.9944      0.00000
    123       1.0132      0.00000
    124       1.5039      0.00000
    125       1.6990      0.00000
    126       1.7830      0.00000
    127       1.8789      0.00000
    128       2.1010      0.00000
    129       2.1261      0.00000
    130       2.1873      0.00000
    131       2.2074      0.00000
    132       2.2469      0.00000
    133       2.3343      0.00000
    134       2.4993      0.00000
    135       2.5016      0.00000
    136       2.6768      0.00000
    137       2.8437      0.00000
    138       2.8537      0.00000
    139       2.9604      0.00000
    140       2.9944      0.00000
    141       3.0524      0.00000
    142       3.1442      0.00000
    143       3.1687      0.00000
    144       3.2491      0.00000
    145       3.2536      0.00000
    146       3.2822      0.00000
    147       3.3070      0.00000
    148       3.3619      0.00000
    149       3.4253      0.00000
    150       3.5595      0.00000
    151       3.5760      0.00000
    152       3.6537      0.00000
    153       3.6607      0.00000
    154       3.6793      0.00000
    155       3.7121      0.00000
    156       3.9050      0.00000
    157       3.9667      0.00000
    158       4.0500      0.00000
    159       4.0931      0.00000
    160       4.1994      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2791      1.00000
      2     -22.0745      1.00000
      3     -21.7156      1.00000
      4     -21.6765      1.00000
      5     -20.9790      1.00000
      6     -20.9314      1.00000
      7     -20.6079      1.00000
      8     -20.5767      1.00000
      9     -20.5624      1.00000
     10     -20.0305      1.00000
     11     -19.5086      1.00000
     12     -19.4781      1.00000
     13     -19.3066      1.00000
     14     -19.2933      1.00000
     15     -18.4488      1.00000
     16     -18.4059      1.00000
     17     -17.9247      1.00000
     18     -17.9039      1.00000
     19     -17.7661      1.00000
     20     -17.7214      1.00000
     21     -17.4393      1.00000
     22     -17.4204      1.00000
     23     -17.3412      1.00000
     24     -16.4653      1.00000
     25     -16.4552      1.00000
     26     -15.9700      1.00000
     27     -15.4058      1.00000
     28     -15.4047      1.00000
     29     -15.0910      1.00000
     30     -15.0880      1.00000
     31     -14.8549      1.00000
     32     -14.8423      1.00000
     33     -14.2996      1.00000
     34     -14.2558      1.00000
     35     -13.4466      1.00000
     36     -13.4026      1.00000
     37     -13.1729      1.00000
     38     -13.1713      1.00000
     39     -12.9840      1.00000
     40     -12.9749      1.00000
     41     -12.6093      1.00000
     42     -12.6070      1.00000
     43     -12.2020      1.00000
     44     -11.5717      1.00000
     45     -11.5302      1.00000
     46     -11.3063      1.00000
     47     -11.2758      1.00000
     48     -11.1482      1.00000
     49     -10.6907      1.00000
     50     -10.6601      1.00000
     51     -10.5448      1.00000
     52     -10.3255      1.00000
     53     -10.3179      1.00000
     54     -10.1724      1.00000
     55     -10.1180      1.00000
     56     -10.1050      1.00000
     57      -9.8097      1.00000
     58      -9.7550      1.00000
     59      -9.7535      1.00000
     60      -9.7051      1.00000
     61      -9.7012      1.00000
     62      -9.6431      1.00000
     63      -9.3553      1.00000
     64      -9.3540      1.00000
     65      -9.3077      1.00000
     66      -9.0260      1.00000
     67      -8.9646      1.00000
     68      -8.9602      1.00000
     69      -8.7727      1.00000
     70      -8.5868      1.00000
     71      -8.5825      1.00000
     72      -8.4225      1.00000
     73      -8.3475      1.00000
     74      -8.3226      1.00000
     75      -8.3054      1.00000
     76      -8.2651      1.00000
     77      -8.2521      1.00000
     78      -8.2322      1.00000
     79      -7.9194      1.00000
     80      -7.7326      1.00000
     81      -7.3843      1.00000
     82      -7.3546      1.00000
     83      -7.3263      1.00000
     84      -7.2245      1.00000
     85      -7.1570      1.00000
     86      -7.0613      1.00000
     87      -6.9576      1.00000
     88      -6.9016      1.00000
     89      -6.6071      1.00000
     90      -6.5654      1.00000
     91      -6.2652      1.00000
     92      -5.9968      1.00000
     93      -5.9602      1.00000
     94      -5.6742      1.00000
     95      -5.6475      1.00000
     96      -5.3884      1.00000
     97      -5.3171      1.00000
     98      -5.2951      1.00000
     99      -5.2118      1.00000
    100      -5.2000      1.00000
    101      -4.5133      1.00000
    102      -4.3397      1.00000
    103      -3.9958      1.00000
    104      -3.8858      1.00000
    105      -3.7937      1.00000
    106      -3.4440      1.00000
    107      -2.0388      0.00000
    108      -1.8658      0.00000
    109      -1.2193      0.00000
    110      -1.1892      0.00000
    111      -1.0362      0.00000
    112      -0.7732      0.00000
    113      -0.6806      0.00000
    114      -0.6604      0.00000
    115      -0.6137      0.00000
    116      -0.1016      0.00000
    117       0.2178      0.00000
    118       0.2385      0.00000
    119       0.7802      0.00000
    120       0.9918      0.00000
    121       1.0754      0.00000
    122       1.2423      0.00000
    123       1.2525      0.00000
    124       1.3532      0.00000
    125       1.5797      0.00000
    126       1.5822      0.00000
    127       1.7162      0.00000
    128       1.8046      0.00000
    129       1.9601      0.00000
    130       1.9831      0.00000
    131       2.0497      0.00000
    132       2.2657      0.00000
    133       2.3347      0.00000
    134       2.4274      0.00000
    135       2.5535      0.00000
    136       2.6343      0.00000
    137       2.7370      0.00000
    138       2.8039      0.00000
    139       2.8518      0.00000
    140       2.8698      0.00000
    141       3.0422      0.00000
    142       3.1100      0.00000
    143       3.1668      0.00000
    144       3.2285      0.00000
    145       3.3723      0.00000
    146       3.4134      0.00000
    147       3.5158      0.00000
    148       3.5549      0.00000
    149       3.5892      0.00000
    150       3.6123      0.00000
    151       3.6599      0.00000
    152       3.7405      0.00000
    153       3.7529      0.00000
    154       3.7646      0.00000
    155       3.7844      0.00000
    156       3.8757      0.00000
    157       4.0294      0.00000
    158       4.0970      0.00000
    159       4.1746      0.00000
    160       4.2266      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0453   -7.3895    4.1986   -1.2762   -0.2388   17.6025    0.1479   -0.5327    0.6340   -0.4649
x    -3.0902   -0.0374   -0.0632    0.0617   -0.0090   -2.9780   -0.0112   -0.0070    0.0049    0.0016
x    -0.0969    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0453    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0937   -0.0088    0.0376    0.0376
y    -0.0455   -3.2458   -0.5384   -0.1634   -1.1823   -0.6055
z   204.0453    1.1274   -0.2799    0.0411    0.0092    0.0615    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0774    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1166
z    -0.2846    0.1862   -0.0383    0.0475   -0.1047    0.0013
 total charge-density along one line
x   212.0000  -10.2197    6.1466   -2.0861   -0.4746   19.5197   -0.9953    0.4740   -0.0447   -0.1262
x    -2.6441   -0.0277   -0.0611    0.0846   -0.0532   -2.2254   -0.0251   -0.0026    0.0052    0.0021
x    -0.0900    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2197    6.1466   -2.0861   -0.4746   19.5198   -0.9953    0.4740   -0.0447   -0.1262
y    -2.6441   -0.0277   -0.0611    0.0846   -0.0532   -2.2254   -0.0251   -0.0026    0.0052    0.0021
y    -0.0900    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4937  189.2919 -170.3535  153.6102 -139.3674  125.3423 -110.0198   93.8743  -78.2671
z    64.0673  -51.4251   40.3680  -31.1665   24.0709  -18.8895   14.9815  -11.6780    8.6840   -6.0973
z     4.1117   -2.7426    1.8079   -1.1002    0.5315   -0.1204   -0.1167    0.2320   -0.3118    0.4011
z    -0.4771    0.4939   -0.4410    0.3559   -0.2865    0.2510   -0.2329    0.2083   -0.1707    0.1316
z    -0.1035    0.0878   -0.0766    0.0636   -0.0491    0.0374   -0.0308    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.842   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.103   0.000   0.030   0.007   0.000   0.220
  0.000   0.131   0.000 -11.157   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.836  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.220   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.842   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.103   0.000   0.030   0.007   0.000   0.220
  0.000   0.131   0.000 -11.157   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.836  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.220   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.050   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.312   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.050   0.000   1.796   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.031   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.312   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.312   0.000   0.000   0.158   0.000  -0.191   0.000   0.000   0.000   0.010   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.415   0.000   0.077   0.585  -0.239   0.000   0.057   0.000   0.000
  0.000  -0.312   0.000   0.629   0.000   0.000  -0.191   0.000   0.379   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.041   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.369  -0.420   0.000   0.282   0.000   0.000
 -0.017   0.000  -0.031   0.000   0.010   0.082   0.000  -0.239   0.000  -0.047  -0.420   0.176   0.000  -0.033   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.010   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.057   0.000   0.053   0.282  -0.033   0.000   0.265   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.263   8.029   8.936
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.647
  6        0.863   1.782   0.000   2.645
  7        0.864   1.783   0.000   2.646
  8        0.864   1.782   0.000   2.645
  9        0.864   1.783   0.000   2.646
 10        0.864   1.784   0.000   2.648
 11        0.864   1.782   0.000   2.646
 12        0.863   1.784   0.000   2.647
 13        0.864   1.782   0.000   2.646
 14        0.864   1.783   0.000   2.647
 15        0.864   1.783   0.000   2.647
 16        0.864   1.773   0.000   2.637
 17        0.860   1.780   0.000   2.639
 18        0.863   1.785   0.000   2.648
 19        0.863   1.782   0.000   2.645
 20        0.864   1.782   0.000   2.646
 21        0.864   1.781   0.000   2.644
 22        0.864   1.770   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.782   0.000   2.646
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.644
 27        0.864   1.783   0.000   2.646
 28        0.864   1.784   0.000   2.647
 29        0.864   1.782   0.000   2.646
 30        0.864   1.784   0.000   2.647
 31        0.864   1.783   0.000   2.646
 32        0.864   1.781   0.000   2.644
 33        0.864   1.781   0.000   2.645
 34        0.863   1.782   0.000   2.645
 35        0.864   1.781   0.000   2.645
 36        0.864   1.770   0.000   2.634
 37        0.864   1.781   0.000   2.644
 38        0.864   1.782   0.000   2.646
 39        0.864   1.783   0.000   2.647
 40        0.863   1.785   0.000   2.648
 41        0.860   1.780   0.000   2.639
 42        0.864   1.773   0.000   2.637
 43        0.864   1.783   0.000   2.647
 44        0.864   1.783   0.000   2.646
 45        0.864   1.782   0.000   2.646
 46        0.863   1.784   0.000   2.647
 47        0.864   1.782   0.000   2.646
 48        0.864   1.784   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.645
 51        0.864   1.783   0.000   2.646
 52        0.863   1.782   0.000   2.645
 53        0.864   1.783   0.000   2.647
------------------------------------------------
tot       44.859  89.392   8.029 142.279
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time   90.30: CPU time   45.51
    FORLOC:  VPU time    1.10: CPU time    1.09
    FORNL :  VPU time  362.62: CPU time  181.60
    STRESS:  VPU time 1090.11: CPU time  547.80
    FORCOR:  VPU time    7.42: CPU time    7.42
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.14: CPU time    0.14
 d Force = 0.6369974E-05[ 0.603E-05, 0.671E-05]  d Energy = 0.5861537E-05 0.508E-06
 d Force =-0.3556190E-02[-0.356E-02,-0.356E-02]  d Ewald  = 0.6132838E-01-0.649E-01


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.725805 eV

  energy  without entropy=     -471.725805  energy(sigma->0) =     -471.725805
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40798.33  40751.77 -47494.54    -40.32      0.00      0.00
  Hartree  40223.79  40204.64 -39482.28    -16.58      0.00      0.00
  E(xc)     -779.33   -779.63   -807.26     -0.26      0.00      0.00
  Local   -83306.32 -83249.84  84291.86     48.91      0.00      0.00
  n-local   -216.57   -215.58   -203.24      0.59      0.00      0.00
  augment     20.07     22.07     17.82      1.73      0.00      0.00
  Kinetic   3161.03   3175.75   3583.52      4.40      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -1.34     -0.62     -0.18      0.62      0.00      0.00
  in kB       -0.81     -0.38     -0.11      0.38      0.00      0.00
  external pressure =       -0.43 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.350742293 -0.002639781  0.000000000     0.080976791  0.046775119  0.000000000
    -6.177663908 10.694732766  0.000000000     0.000019988  0.093515518  0.000000000
     0.000000000  0.000000000 19.974485056     0.000000000  0.000000000  0.050063869

  length of vectors
    12.350742575 12.350742500 19.974485056     0.093515520  0.093515520  0.050063869


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.580E-05 -.483E-04 -.951E+03   0.451E-05 -.279E-04 0.960E+03   0.762E-20 0.169E-20 -.868E+01   -.221E-07 0.130E-07 -.180E-02
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.892E+00 -.253E+01   0.484E-04 -.287E-04 -.378E-03
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.892E+00 -.253E+01   -.484E-04 0.287E-04 -.378E-03
   -.215E+01 0.124E+01 0.163E+02   0.214E+01 -.124E+01 -.163E+02   -.767E-02 0.443E-02 -.228E-01   0.282E-03 -.166E-03 -.349E-04
   0.612E+01 0.687E+01 0.194E+02   -.613E+01 -.689E+01 -.193E+02   -.469E-02 0.247E-01 -.278E-01   0.918E-04 0.123E-03 -.453E-04
   0.111E+02 0.515E+01 0.161E+02   -.112E+02 -.515E+01 -.161E+02   0.167E-01 0.940E-02 -.496E-01   0.111E-03 -.111E-05 0.986E-04
   0.465E+01 -.854E+00 0.125E+02   -.467E+01 0.867E+00 -.125E+02   0.104E-01 -.514E-02 -.201E-01   0.127E-03 -.810E-04 0.202E-03
   -.317E+01 -.248E+01 0.126E+02   0.316E+01 0.249E+01 -.126E+02   -.412E-02 0.417E-02 -.126E-01   0.179E-03 -.189E-03 0.971E-04
   0.566E+00 0.399E+01 0.126E+02   -.572E+00 -.398E+01 -.126E+02   -.567E-02 0.149E-02 -.126E-01   0.248E-03 -.667E-04 0.939E-04
   0.235E+01 0.189E+02 0.240E+02   -.236E+01 -.190E+02 -.240E+02   -.771E-02 0.106E+00 -.472E-01   0.255E-03 -.194E-04 0.299E-04
   0.226E+02 0.214E+02 0.422E+02   -.227E+02 -.217E+02 -.422E+02   0.751E-01 0.266E+00 -.609E-01   0.259E-03 -.374E-05 0.121E-03
   0.268E+02 -.342E+01 0.256E+02   -.271E+02 0.354E+01 -.256E+02   0.264E+00 -.106E+00 -.337E-01   0.135E-03 -.483E-04 0.318E-03
   0.907E+01 -.524E+01 0.136E+02   -.912E+01 0.527E+01 -.136E+02   0.367E-01 -.212E-01 -.131E-01   0.123E-03 -.769E-04 0.245E-03
   0.306E+01 -.360E+01 0.125E+02   -.309E+01 0.361E+01 -.125E+02   0.967E-02 -.647E-02 -.201E-01   0.131E-03 -.736E-04 0.195E-03
   -.601E+01 0.137E+02 0.162E+02   0.601E+01 -.137E+02 -.161E+02   -.613E-02 0.756E-01 -.497E-01   0.190E-03 -.107E-03 0.201E-03
   -.120E+02 0.363E+02 0.478E+02   0.120E+02 -.369E+02 -.481E+02   -.342E-01 0.617E+00 0.296E+00   0.971E-04 0.122E-03 0.295E-03
   0.237E+02 -.137E+02 0.942E+02   -.243E+02 0.141E+02 -.963E+02   0.637E+00 -.368E+00 0.206E+01   0.223E-03 -.131E-03 0.418E-03
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.223E+00 -.176E+00 -.337E-01   0.107E-03 -.100E-03 0.313E-03
   0.111E+01 -.122E+02 0.161E+02   -.113E+01 0.123E+02 -.161E+02   0.220E-03 -.192E-01 -.496E-01   0.594E-04 -.966E-04 0.938E-04
   -.421E+01 0.195E+01 0.116E+02   0.420E+01 -.195E+01 -.116E+02   -.463E-02 0.121E-01 -.428E-01   0.716E-04 -.769E-04 0.182E-03
   -.193E+02 0.112E+02 0.218E+02   0.194E+02 -.112E+02 -.218E+02   -.554E-01 0.320E-01 -.404E-01   0.130E-03 -.717E-04 0.343E-03
   -.374E+02 -.782E+01 0.478E+02   0.380E+02 0.810E+01 -.481E+02   -.551E+00 -.279E+00 0.296E+00   -.536E-04 -.146E-03 0.297E-03
   -.728E+01 -.303E+02 0.422E+02   0.746E+01 0.305E+02 -.422E+02   -.192E+00 -.198E+00 -.609E-01   0.136E-03 -.227E-03 0.120E-03
   -.290E+01 -.873E+01 0.194E+02   0.290E+01 0.875E+01 -.193E+02   -.237E-01 -.827E-02 -.278E-01   -.591E-04 -.143E-03 -.460E-04
   0.132E+01 -.762E+00 0.134E+02   -.133E+01 0.767E+00 -.134E+02   -.299E-02 0.173E-02 -.183E-01   0.505E-04 -.272E-04 0.387E-04
   -.379E+01 0.267E+01 0.116E+02   0.379E+01 -.266E+01 -.116E+02   -.128E-01 -.204E-02 -.428E-01   0.104E-03 -.191E-04 0.186E-03
   -.148E+02 -.162E+01 0.162E+02   0.149E+02 0.166E+01 -.161E+02   -.685E-01 -.325E-01 -.497E-01   0.189E-03 -.112E-03 0.208E-03
   -.152E+02 -.115E+02 0.240E+02   0.153E+02 0.116E+02 -.240E+02   -.954E-01 -.462E-01 -.472E-01   0.146E-03 -.216E-03 0.325E-04
   0.290E+01 0.873E+01 0.194E+02   -.290E+01 -.875E+01 -.193E+02   0.237E-01 0.827E-02 -.278E-01   0.591E-04 0.143E-03 -.459E-04
   0.152E+02 0.115E+02 0.240E+02   -.153E+02 -.116E+02 -.240E+02   0.954E-01 0.462E-01 -.472E-01   -.146E-03 0.216E-03 0.325E-04
   0.148E+02 0.162E+01 0.162E+02   -.149E+02 -.166E+01 -.161E+02   0.685E-01 0.325E-01 -.497E-01   -.189E-03 0.112E-03 0.208E-03
   0.379E+01 -.267E+01 0.116E+02   -.379E+01 0.266E+01 -.116E+02   0.128E-01 0.204E-02 -.428E-01   -.104E-03 0.191E-04 0.186E-03
   -.132E+01 0.762E+00 0.134E+02   0.133E+01 -.767E+00 -.134E+02   0.299E-02 -.173E-02 -.183E-01   -.505E-04 0.272E-04 0.387E-04
   -.111E+01 0.122E+02 0.161E+02   0.113E+01 -.123E+02 -.161E+02   -.220E-03 0.192E-01 -.496E-01   -.595E-04 0.966E-04 0.938E-04
   0.728E+01 0.303E+02 0.422E+02   -.746E+01 -.305E+02 -.422E+02   0.192E+00 0.198E+00 -.609E-01   -.136E-03 0.227E-03 0.120E-03
   0.374E+02 0.782E+01 0.478E+02   -.380E+02 -.810E+01 -.481E+02   0.551E+00 0.279E+00 0.296E+00   0.536E-04 0.146E-03 0.297E-03
   0.193E+02 -.112E+02 0.218E+02   -.194E+02 0.112E+02 -.218E+02   0.554E-01 -.320E-01 -.404E-01   -.130E-03 0.717E-04 0.343E-03
   0.421E+01 -.195E+01 0.116E+02   -.420E+01 0.195E+01 -.116E+02   0.463E-02 -.121E-01 -.428E-01   -.715E-04 0.768E-04 0.182E-03
   -.306E+01 0.360E+01 0.125E+02   0.309E+01 -.361E+01 -.125E+02   -.967E-02 0.647E-02 -.201E-01   -.131E-03 0.735E-04 0.195E-03
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.223E+00 0.176E+00 -.337E-01   -.107E-03 0.100E-03 0.313E-03
   -.237E+02 0.137E+02 0.942E+02   0.243E+02 -.141E+02 -.963E+02   -.637E+00 0.368E+00 0.206E+01   -.223E-03 0.131E-03 0.418E-03
   0.120E+02 -.363E+02 0.478E+02   -.120E+02 0.369E+02 -.481E+02   0.342E-01 -.617E+00 0.296E+00   -.972E-04 -.122E-03 0.295E-03
   0.601E+01 -.137E+02 0.162E+02   -.601E+01 0.137E+02 -.161E+02   0.613E-02 -.756E-01 -.497E-01   -.190E-03 0.107E-03 0.201E-03
   -.566E+00 -.399E+01 0.126E+02   0.572E+00 0.398E+01 -.126E+02   0.567E-02 -.149E-02 -.126E-01   -.248E-03 0.666E-04 0.939E-04
   -.907E+01 0.524E+01 0.136E+02   0.912E+01 -.527E+01 -.136E+02   -.367E-01 0.212E-01 -.131E-01   -.123E-03 0.769E-04 0.246E-03
   -.268E+02 0.342E+01 0.256E+02   0.271E+02 -.354E+01 -.256E+02   -.264E+00 0.106E+00 -.337E-01   -.135E-03 0.484E-04 0.318E-03
   -.226E+02 -.214E+02 0.422E+02   0.227E+02 0.217E+02 -.422E+02   -.751E-01 -.266E+00 -.609E-01   -.259E-03 0.380E-05 0.121E-03
   -.235E+01 -.189E+02 0.240E+02   0.236E+01 0.190E+02 -.240E+02   0.771E-02 -.106E+00 -.472E-01   -.255E-03 0.194E-04 0.299E-04
   0.215E+01 -.124E+01 0.163E+02   -.214E+01 0.124E+01 -.163E+02   0.767E-02 -.443E-02 -.228E-01   -.282E-03 0.166E-03 -.349E-04
   0.317E+01 0.248E+01 0.126E+02   -.316E+01 -.249E+01 -.126E+02   0.412E-02 -.417E-02 -.126E-01   -.179E-03 0.189E-03 0.971E-04
   -.465E+01 0.854E+00 0.125E+02   0.467E+01 -.867E+00 -.125E+02   -.104E-01 0.514E-02 -.201E-01   -.127E-03 0.811E-04 0.202E-03
   -.111E+02 -.515E+01 0.161E+02   0.112E+02 0.515E+01 -.161E+02   -.167E-01 -.940E-02 -.496E-01   -.111E-03 0.118E-05 0.986E-04
   -.612E+01 -.687E+01 0.194E+02   0.613E+01 0.689E+01 -.193E+02   0.469E-02 -.247E-01 -.278E-01   -.918E-04 -.123E-03 -.453E-04
 -----------------------------------------------------------------------------------------------
   -.179E-02 0.281E-03 0.100E+02   -.249E-13 -.112E-12 -.753E-12   0.213E-15 -.139E-16 -.100E+02   -.160E-07 0.746E-08 0.545E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85131      6.05920     12.25543         0.000000      0.000000      0.025887
      1.07362      6.50821     13.51454         0.002771     -0.001600      0.012796
      2.62901      5.61020     13.51454        -0.002771      0.001600      0.012796
      0.00030     -0.00017      9.90483        -0.012925      0.007462      0.001151
     -1.23568      2.13735      9.90358        -0.014717      0.010113     -0.000175
     -2.47212      4.27756      9.92363        -0.012768      0.006017     -0.001170
     -3.70688      6.41682      9.93149        -0.013590      0.008325     -0.002842
     -4.94172      8.55568      9.92183        -0.012264      0.006629     -0.000091
      2.47044     -0.00083      9.92183        -0.011873      0.007306     -0.000091
      1.23412      2.13649      9.91316        -0.016100      0.005274     -0.000425
     -0.00375      4.27114      9.92588        -0.009021      0.008025     -0.002237
     -1.24042      6.41669      9.94776        -0.014804      0.010190     -0.001070
     -2.47207      8.55531      9.93306        -0.014520      0.008383     -0.000040
      4.94017     -0.00080      9.93149        -0.014005      0.007607     -0.002842
      3.70536      2.13582      9.93456        -0.012435      0.010018      0.000601
      2.46991      4.26816      9.96257        -0.012380      0.010551     -0.003838
      1.22802      6.41906      9.96884        -0.012906      0.007451     -0.007580
     -0.00414      8.55798      9.94776        -0.016227      0.007725     -0.001070
      7.41021     -0.00050      9.92363        -0.011595      0.008049     -0.001170
      6.17478      2.13735      9.92989        -0.013091      0.007803      0.000246
      4.94011      4.27589      9.94243        -0.013496      0.007792      0.002496
      3.71170      6.41900      9.96257        -0.015328      0.005446     -0.003838
      2.47229      8.55977      9.92588        -0.011460      0.003799     -0.002237
      9.88191     -0.00118      9.90358        -0.016116      0.007688     -0.000175
      8.64507      2.13683      9.91472        -0.011384      0.006573      0.000238
      7.40947      4.27590      9.92989        -0.013303      0.007436      0.000246
      6.17609      6.41525      9.93456        -0.014893      0.005760      0.000601
      4.93988      8.55507      9.91316        -0.012617      0.011306     -0.000425
     -0.00162      1.42486      9.90358         0.016116     -0.007688     -0.000175
     -1.23726      3.56334      9.91316         0.012617     -0.011306     -0.000425
     -2.47346      5.70316      9.93456         0.014893     -0.005760      0.000601
     -3.70685      7.84251      9.92989         0.013303     -0.007436      0.000246
     -4.94245      9.98158      9.91472         0.011384     -0.006573      0.000238
      2.47008      1.42418      9.92363         0.011595     -0.008049     -0.001170
      1.23033      3.55864      9.92588         0.011460     -0.003799     -0.002237
     -0.00908      5.69941      9.96257         0.015328     -0.005446     -0.003838
     -1.23748      7.84252      9.94243         0.013496     -0.007792      0.002496
     -2.47216      9.98106      9.92989         0.013091     -0.007803      0.000246
      4.94012      1.42448      9.93149         0.014005     -0.007607     -0.002842
      3.70677      3.56043      9.94776         0.016227     -0.007725     -0.001070
      2.47461      5.69935      9.96884         0.012906     -0.007451     -0.007580
      1.23271      7.85025      9.96257         0.012380     -0.010551     -0.003838
     -0.00274      9.98259      9.93456         0.012435     -0.010018      0.000601
      7.40985      1.42451      9.92183         0.011873     -0.007306     -0.000091
      6.17470      3.56310      9.93306         0.014520     -0.008383     -0.000040
      4.94304      5.70172      9.94776         0.014804     -0.010190     -0.001070
      3.70638      7.84727      9.92588         0.009021     -0.008025     -0.002237
      2.46851      9.98192      9.91316         0.016100     -0.005274     -0.000425
      9.87999      1.42385      9.90483         0.012925     -0.007462      0.001151
      8.64434      3.56273      9.92183         0.012264     -0.006629     -0.000091
      7.40950      5.70159      9.93149         0.013590     -0.008325     -0.002842
      6.17474      7.84085      9.92363         0.012768     -0.006017     -0.001170
      4.93830      9.98106      9.90358         0.014717     -0.010113     -0.000175
 -----------------------------------------------------------------------------------
    total drift:                               -0.001789      0.000281      0.007305


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.68: CPU time    1.68
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.18: CPU time    1.18
    ORTHCH:  VPU time  150.67: CPU time   75.40
     LOOP+:  VPU time 4085.47: CPU time 2085.93


----------------------------------------- Iteration    6(   1)  ---------------------------------------


    POTLOK:  VPU time    7.82: CPU time    7.74
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1469.29: CPU time  749.36
 BZINTS: Fermi energy: -3.212362;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.41: CPU time   45.48
    MIXING:  VPU time    0.13: CPU time    0.13
    ------------------------------------------
      LOOP:  VPU time 1568.00: CPU time  803.03

 eigenvalue-minimisations  :  6032
 total energy-change (2. order) :-0.4717268E+03  (-0.6524047E-02)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9575508 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.13168E-01    rms(broyden)= 0.13165E-01
  rms(prec ) = 0.14487E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34092.35159911
  -1/2 Hartree   DENC   =    -40979.35303651
  -V(xc)+E(xc)   XCENC  =       726.47630389
  PAW double counting   =      4091.33354212    -4129.67417284
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2478.30092701
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72683763 eV

  energy without entropy =     -471.72683763  energy(sigma->0) =     -471.72683763


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    6(   2)  ---------------------------------------


    POTLOK:  VPU time    7.71: CPU time    7.71
    SETDIJ:  VPU time    0.29: CPU time    0.28
    EDDAV :  VPU time 1523.49: CPU time  777.55
 BZINTS: Fermi energy: -3.214970;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.12: CPU time   45.49
    MIXING:  VPU time    0.14: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1621.81: CPU time  831.20

 eigenvalue-minimisations  :  6336
 total energy-change (2. order) : 0.4742672E-03  (-0.1602728E-03)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9585588 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.73740E-02    rms(broyden)= 0.73736E-02
  rms(prec ) = 0.81587E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0824
  2.0824

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34092.35159911
  -1/2 Hartree   DENC   =    -40980.43782432
  -V(xc)+E(xc)   XCENC  =       726.51470781
  PAW double counting   =      4092.49021210    -4130.83739129
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2477.24752037
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72636336 eV

  energy without entropy =     -471.72636336  energy(sigma->0) =     -471.72636336


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    6(   3)  ---------------------------------------


    POTLOK:  VPU time    7.69: CPU time    7.69
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1472.71: CPU time  751.81
 BZINTS: Fermi energy: -3.195372;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.42: CPU time   45.46
    MIXING:  VPU time    0.14: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1571.31: CPU time  805.43

 eigenvalue-minimisations  :  6064
 total energy-change (2. order) : 0.2974080E-03  (-0.7372153E-04)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9574803 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.10956E-02    rms(broyden)= 0.10948E-02
  rms(prec ) = 0.12748E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5078
  2.0960  0.9196

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34092.35159911
  -1/2 Hartree   DENC   =    -40981.96554075
  -V(xc)+E(xc)   XCENC  =       726.56372440
  PAW double counting   =      4093.89309126    -4132.24658295
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2475.76221063
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72606596 eV

  energy without entropy =     -471.72606596  energy(sigma->0) =     -471.72606596


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    6(   4)  ---------------------------------------


    POTLOK:  VPU time    7.70: CPU time    7.69
    SETDIJ:  VPU time    0.28: CPU time    0.28
    EDDAV :  VPU time 1209.24: CPU time  615.42
 BZINTS: Fermi energy: -3.195744;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1217.28: CPU time  623.43

 eigenvalue-minimisations  :  4568
 total energy-change (2. order) : 0.1336541E-05  (-0.5788686E-05)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9574803 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34092.35159911
  -1/2 Hartree   DENC   =    -40982.09044954
  -V(xc)+E(xc)   XCENC  =       726.56473472
  PAW double counting   =      4093.79231091    -4132.14415986
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2475.63995356
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72606462 eV

  energy without entropy =     -471.72606462  energy(sigma->0) =     -471.72606462


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2226       2 -39.5424       3 -39.5425       4 -58.3179       5 -58.3219
       6 -58.3244       7 -58.3189       8 -58.3191       9 -58.3191      10 -58.3258
      11 -58.3922      12 -58.3556      13 -58.3270      14 -58.3189      15 -58.3288
      16 -58.5473      17 -58.7346      18 -58.3556      19 -58.3245      20 -58.3239
      21 -58.3617      22 -58.5473      23 -58.3922      24 -58.3219      25 -58.3270
      26 -58.3239      27 -58.3288      28 -58.3259      29 -58.3218      30 -58.3257
      31 -58.3287      32 -58.3238      33 -58.3269      34 -58.3244      35 -58.3921
      36 -58.5472      37 -58.3616      38 -58.3238      39 -58.3187      40 -58.3555
      41 -58.7345      42 -58.5473      43 -58.3287      44 -58.3190      45 -58.3269
      46 -58.3555      47 -58.3922      48 -58.3258      49 -58.3178      50 -58.3190
      51 -58.3187      52 -58.3244      53 -58.3218
 
 
 
 E-fermi :  -3.1957     XC(G=0):  -2.3578     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4299      1.00000
      2     -21.6071      1.00000
      3     -21.4846      1.00000
      4     -21.4762      1.00000
      5     -21.4440      1.00000
      6     -21.4437      1.00000
      7     -21.4333      1.00000
      8     -19.7115      1.00000
      9     -19.6554      1.00000
     10     -19.6349      1.00000
     11     -19.6204      1.00000
     12     -19.6172      1.00000
     13     -19.6150      1.00000
     14     -18.7940      1.00000
     15     -18.7563      1.00000
     16     -18.7401      1.00000
     17     -18.7308      1.00000
     18     -18.7196      1.00000
     19     -18.7166      1.00000
     20     -16.6416      1.00000
     21     -16.6099      1.00000
     22     -16.5882      1.00000
     23     -16.5875      1.00000
     24     -16.5571      1.00000
     25     -16.5556      1.00000
     26     -15.6169      1.00000
     27     -15.6059      1.00000
     28     -15.6028      1.00000
     29     -15.5693      1.00000
     30     -15.5671      1.00000
     31     -15.5643      1.00000
     32     -14.2619      1.00000
     33     -14.2547      1.00000
     34     -14.2465      1.00000
     35     -14.2414      1.00000
     36     -14.2256      1.00000
     37     -14.2206      1.00000
     38     -11.9089      1.00000
     39     -11.8826      1.00000
     40     -11.8712      1.00000
     41     -11.8712      1.00000
     42     -11.8491      1.00000
     43     -11.8485      1.00000
     44     -11.7757      1.00000
     45     -11.7729      1.00000
     46     -11.7362      1.00000
     47     -11.7342      1.00000
     48     -11.7317      1.00000
     49     -11.7223      1.00000
     50     -10.6796      1.00000
     51     -10.3920      1.00000
     52     -10.3879      1.00000
     53     -10.3812      1.00000
     54     -10.3706      1.00000
     55     -10.3599      1.00000
     56     -10.3572      1.00000
     57      -9.9079      1.00000
     58      -9.4534      1.00000
     59      -9.4088      1.00000
     60      -9.3656      1.00000
     61      -9.3645      1.00000
     62      -9.3569      1.00000
     63      -9.1419      1.00000
     64      -9.1350      1.00000
     65      -9.1238      1.00000
     66      -9.0904      1.00000
     67      -9.0760      1.00000
     68      -9.0721      1.00000
     69      -9.0715      1.00000
     70      -9.0702      1.00000
     71      -9.0661      1.00000
     72      -9.0465      1.00000
     73      -9.0301      1.00000
     74      -9.0281      1.00000
     75      -8.1344      1.00000
     76      -7.7511      1.00000
     77      -7.4768      1.00000
     78      -7.4663      1.00000
     79      -7.4626      1.00000
     80      -7.4376      1.00000
     81      -7.4240      1.00000
     82      -7.4107      1.00000
     83      -7.3176      1.00000
     84      -7.2730      1.00000
     85      -7.2608      1.00000
     86      -7.2518      1.00000
     87      -7.1540      1.00000
     88      -7.0529      1.00000
     89      -6.4499      1.00000
     90      -6.4207      1.00000
     91      -6.4052      1.00000
     92      -6.3650      1.00000
     93      -6.3558      1.00000
     94      -6.3431      1.00000
     95      -5.9699      1.00000
     96      -5.9552      1.00000
     97      -4.8114      1.00000
     98      -4.5485      1.00000
     99      -4.4836      1.00000
    100      -4.4796      1.00000
    101      -4.3857      1.00000
    102      -4.3843      1.00000
    103      -4.2725      1.00000
    104      -4.1916      1.00000
    105      -3.7432      1.00000
    106      -3.4819      1.00000
    107      -1.8664      0.00000
    108      -1.6730      0.00000
    109      -1.6282      0.00000
    110      -1.5965      0.00000
    111      -1.5795      0.00000
    112      -1.5793      0.00000
    113      -0.4317      0.00000
    114       0.1449      0.00000
    115       0.1857      0.00000
    116       0.2495      0.00000
    117       0.2653      0.00000
    118       0.2668      0.00000
    119       0.4735      0.00000
    120       0.5294      0.00000
    121       1.2321      0.00000
    122       1.2838      0.00000
    123       1.5096      0.00000
    124       1.7532      0.00000
    125       1.7556      0.00000
    126       1.7566      0.00000
    127       1.8097      0.00000
    128       1.8197      0.00000
    129       1.9534      0.00000
    130       1.9597      0.00000
    131       1.9692      0.00000
    132       1.9835      0.00000
    133       1.9917      0.00000
    134       2.0614      0.00000
    135       2.2216      0.00000
    136       2.3364      0.00000
    137       2.5721      0.00000
    138       2.5754      0.00000
    139       2.5956      0.00000
    140       2.6948      0.00000
    141       2.9198      0.00000
    142       3.0518      0.00000
    143       3.0739      0.00000
    144       3.0939      0.00000
    145       3.1083      0.00000
    146       3.1112      0.00000
    147       3.1147      0.00000
    148       3.2566      0.00000
    149       3.4425      0.00000
    150       3.4884      0.00000
    151       3.8235      0.00000
    152       3.9490      0.00000
    153       3.9521      0.00000
    154       3.9539      0.00000
    155       3.9554      0.00000
    156       3.9885      0.00000
    157       4.1700      0.00000
    158       4.2469      0.00000
    159       4.2535      0.00000
    160       4.2701      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3932      1.00000
      2     -21.8343      1.00000
      3     -21.6416      1.00000
      4     -21.6137      1.00000
      5     -21.2782      1.00000
      6     -21.2387      1.00000
      7     -21.0609      1.00000
      8     -20.1717      1.00000
      9     -20.1333      1.00000
     10     -19.6111      1.00000
     11     -19.6003      1.00000
     12     -19.4219      1.00000
     13     -19.0943      1.00000
     14     -19.0615      1.00000
     15     -19.0535      1.00000
     16     -19.0452      1.00000
     17     -18.3648      1.00000
     18     -18.3544      1.00000
     19     -18.0246      1.00000
     20     -17.0750      1.00000
     21     -17.0355      1.00000
     22     -16.9511      1.00000
     23     -16.9398      1.00000
     24     -16.4718      1.00000
     25     -16.4631      1.00000
     26     -15.6156      1.00000
     27     -15.6106      1.00000
     28     -15.2564      1.00000
     29     -15.2489      1.00000
     30     -15.1904      1.00000
     31     -15.1030      1.00000
     32     -15.0758      1.00000
     33     -14.7028      1.00000
     34     -14.6970      1.00000
     35     -13.7324      1.00000
     36     -13.7237      1.00000
     37     -13.2423      1.00000
     38     -12.6195      1.00000
     39     -12.5887      1.00000
     40     -12.4621      1.00000
     41     -12.4525      1.00000
     42     -12.1158      1.00000
     43     -12.1059      1.00000
     44     -11.7177      1.00000
     45     -11.6865      1.00000
     46     -11.2370      1.00000
     47     -11.2303      1.00000
     48     -11.0264      1.00000
     49     -11.0127      1.00000
     50     -10.9287      1.00000
     51     -10.9070      1.00000
     52     -10.6347      1.00000
     53     -10.1641      1.00000
     54     -10.1515      1.00000
     55     -10.0988      1.00000
     56     -10.0026      1.00000
     57      -9.7048      1.00000
     58      -9.7027      1.00000
     59      -9.6589      1.00000
     60      -9.5965      1.00000
     61      -9.5760      1.00000
     62      -9.5621      1.00000
     63      -9.3193      1.00000
     64      -9.3042      1.00000
     65      -9.2767      1.00000
     66      -9.2359      1.00000
     67      -9.1399      1.00000
     68      -9.1282      1.00000
     69      -9.1101      1.00000
     70      -8.9431      1.00000
     71      -8.8712      1.00000
     72      -8.6086      1.00000
     73      -8.5914      1.00000
     74      -8.2407      1.00000
     75      -8.1084      1.00000
     76      -7.9171      1.00000
     77      -7.8638      1.00000
     78      -7.7806      1.00000
     79      -7.7602      1.00000
     80      -7.6964      1.00000
     81      -7.5648      1.00000
     82      -7.3474      1.00000
     83      -7.3263      1.00000
     84      -7.2069      1.00000
     85      -7.1266      1.00000
     86      -7.0361      1.00000
     87      -7.0123      1.00000
     88      -6.7084      1.00000
     89      -6.6808      1.00000
     90      -6.6452      1.00000
     91      -6.6002      1.00000
     92      -6.1244      1.00000
     93      -6.0654      1.00000
     94      -6.0326      1.00000
     95      -6.0128      1.00000
     96      -5.7881      1.00000
     97      -4.9797      1.00000
     98      -4.8346      1.00000
     99      -4.7510      1.00000
    100      -4.6840      1.00000
    101      -4.4733      1.00000
    102      -4.2083      1.00000
    103      -4.1740      1.00000
    104      -4.1318      1.00000
    105      -3.7333      1.00000
    106      -3.4921      1.00000
    107      -1.8750      0.00000
    108      -1.8124      0.00000
    109      -1.5291      0.00000
    110      -1.3801      0.00000
    111      -1.3258      0.00000
    112      -1.2929      0.00000
    113      -0.7253      0.00000
    114      -0.3805      0.00000
    115      -0.2510      0.00000
    116       0.0344      0.00000
    117       0.5407      0.00000
    118       0.6952      0.00000
    119       0.7394      0.00000
    120       1.0420      0.00000
    121       1.0946      0.00000
    122       1.1391      0.00000
    123       1.2196      0.00000
    124       1.3625      0.00000
    125       1.5067      0.00000
    126       1.5561      0.00000
    127       1.7007      0.00000
    128       1.8117      0.00000
    129       1.8545      0.00000
    130       1.8742      0.00000
    131       2.0830      0.00000
    132       2.1615      0.00000
    133       2.2223      0.00000
    134       2.2821      0.00000
    135       2.4905      0.00000
    136       2.5602      0.00000
    137       2.6487      0.00000
    138       2.7639      0.00000
    139       2.7867      0.00000
    140       2.8202      0.00000
    141       2.8677      0.00000
    142       2.8835      0.00000
    143       2.9441      0.00000
    144       3.0457      0.00000
    145       3.1322      0.00000
    146       3.2957      0.00000
    147       3.3921      0.00000
    148       3.4388      0.00000
    149       3.4552      0.00000
    150       3.6064      0.00000
    151       3.6371      0.00000
    152       3.6670      0.00000
    153       3.7092      0.00000
    154       3.8922      0.00000
    155       3.9381      0.00000
    156       3.9945      0.00000
    157       4.0447      0.00000
    158       4.2262      0.00000
    159       4.2381      0.00000
    160       4.2556      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2873      1.00000
      2     -22.0817      1.00000
      3     -21.7200      1.00000
      4     -21.6881      1.00000
      5     -20.9832      1.00000
      6     -20.9424      1.00000
      7     -20.6158      1.00000
      8     -20.5792      1.00000
      9     -20.5727      1.00000
     10     -20.0371      1.00000
     11     -19.5060      1.00000
     12     -19.4943      1.00000
     13     -19.3097      1.00000
     14     -19.3042      1.00000
     15     -18.4526      1.00000
     16     -18.4155      1.00000
     17     -17.9274      1.00000
     18     -17.9145      1.00000
     19     -17.7669      1.00000
     20     -17.7307      1.00000
     21     -17.4418      1.00000
     22     -17.4295      1.00000
     23     -17.3471      1.00000
     24     -16.4651      1.00000
     25     -16.4627      1.00000
     26     -15.9719      1.00000
     27     -15.4152      1.00000
     28     -15.4124      1.00000
     29     -15.0985      1.00000
     30     -15.0957      1.00000
     31     -14.8601      1.00000
     32     -14.8530      1.00000
     33     -14.2960      1.00000
     34     -14.2625      1.00000
     35     -13.4425      1.00000
     36     -13.4092      1.00000
     37     -13.1841      1.00000
     38     -13.1739      1.00000
     39     -12.9867      1.00000
     40     -12.9806      1.00000
     41     -12.6204      1.00000
     42     -12.6094      1.00000
     43     -12.2047      1.00000
     44     -11.5772      1.00000
     45     -11.5431      1.00000
     46     -11.3119      1.00000
     47     -11.2885      1.00000
     48     -11.1493      1.00000
     49     -10.6781      1.00000
     50     -10.6641      1.00000
     51     -10.5566      1.00000
     52     -10.3351      1.00000
     53     -10.3183      1.00000
     54     -10.1722      1.00000
     55     -10.1214      1.00000
     56     -10.1114      1.00000
     57      -9.8008      1.00000
     58      -9.7771      1.00000
     59      -9.7518      1.00000
     60      -9.7093      1.00000
     61      -9.6991      1.00000
     62      -9.6648      1.00000
     63      -9.3671      1.00000
     64      -9.3500      1.00000
     65      -9.3144      1.00000
     66      -9.0444      1.00000
     67      -8.9720      1.00000
     68      -8.9513      1.00000
     69      -8.8026      1.00000
     70      -8.5949      1.00000
     71      -8.5604      1.00000
     72      -8.4018      1.00000
     73      -8.3690      1.00000
     74      -8.3295      1.00000
     75      -8.3113      1.00000
     76      -8.2650      1.00000
     77      -8.2578      1.00000
     78      -8.2363      1.00000
     79      -7.9088      1.00000
     80      -7.6555      1.00000
     81      -7.5541      1.00000
     82      -7.3929      1.00000
     83      -7.3552      1.00000
     84      -7.2387      1.00000
     85      -7.0992      1.00000
     86      -7.0413      1.00000
     87      -6.9371      1.00000
     88      -6.8506      1.00000
     89      -6.6128      1.00000
     90      -6.5668      1.00000
     91      -6.2700      1.00000
     92      -6.0484      1.00000
     93      -5.9555      1.00000
     94      -5.6678      1.00000
     95      -5.6238      1.00000
     96      -5.4680      1.00000
     97      -5.3255      1.00000
     98      -5.2824      1.00000
     99      -5.2194      1.00000
    100      -5.1949      1.00000
    101      -4.5128      1.00000
    102      -4.2125      1.00000
    103      -4.0626      1.00000
    104      -3.9921      1.00000
    105      -3.6977      1.00000
    106      -3.5023      1.00000
    107      -1.9513      0.00000
    108      -1.9003      0.00000
    109      -1.3444      0.00000
    110      -1.0896      0.00000
    111      -1.0601      0.00000
    112      -0.8049      0.00000
    113      -0.6787      0.00000
    114      -0.6521      0.00000
    115      -0.6122      0.00000
    116      -0.1108      0.00000
    117       0.2101      0.00000
    118       0.3257      0.00000
    119       0.6782      0.00000
    120       0.8743      0.00000
    121       1.1218      0.00000
    122       1.1926      0.00000
    123       1.3126      0.00000
    124       1.4031      0.00000
    125       1.5450      0.00000
    126       1.5683      0.00000
    127       1.6555      0.00000
    128       1.7962      0.00000
    129       1.8612      0.00000
    130       2.0320      0.00000
    131       2.1290      0.00000
    132       2.3247      0.00000
    133       2.3593      0.00000
    134       2.3714      0.00000
    135       2.5189      0.00000
    136       2.6153      0.00000
    137       2.7091      0.00000
    138       2.7686      0.00000
    139       2.8382      0.00000
    140       2.8706      0.00000
    141       3.0311      0.00000
    142       3.0437      0.00000
    143       3.1372      0.00000
    144       3.2428      0.00000
    145       3.3385      0.00000
    146       3.3943      0.00000
    147       3.4082      0.00000
    148       3.5600      0.00000
    149       3.5747      0.00000
    150       3.5863      0.00000
    151       3.6456      0.00000
    152       3.6564      0.00000
    153       3.7592      0.00000
    154       3.7872      0.00000
    155       3.8143      0.00000
    156       3.8792      0.00000
    157       3.8976      0.00000
    158       3.9707      0.00000
    159       4.1891      0.00000
    160       4.2126      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3213      1.00000
      2     -21.9665      1.00000
      3     -21.8972      1.00000
      4     -21.3841      1.00000
      5     -21.3545      1.00000
      6     -20.8443      1.00000
      7     -20.7788      1.00000
      8     -20.6290      1.00000
      9     -20.0800      1.00000
     10     -20.0741      1.00000
     11     -19.7212      1.00000
     12     -19.6965      1.00000
     13     -18.9998      1.00000
     14     -18.9936      1.00000
     15     -18.6417      1.00000
     16     -18.6256      1.00000
     17     -18.4689      1.00000
     18     -17.6823      1.00000
     19     -17.6310      1.00000
     20     -17.6288      1.00000
     21     -17.5873      1.00000
     22     -17.1290      1.00000
     23     -17.1077      1.00000
     24     -16.9609      1.00000
     25     -16.0014      1.00000
     26     -15.9313      1.00000
     27     -15.5906      1.00000
     28     -15.5903      1.00000
     29     -15.2917      1.00000
     30     -14.8675      1.00000
     31     -14.8402      1.00000
     32     -14.5866      1.00000
     33     -14.5447      1.00000
     34     -14.1680      1.00000
     35     -14.1543      1.00000
     36     -13.1507      1.00000
     37     -13.1079      1.00000
     38     -13.0378      1.00000
     39     -13.0276      1.00000
     40     -12.7165      1.00000
     41     -12.7123      1.00000
     42     -12.3424      1.00000
     43     -12.3111      1.00000
     44     -11.6353      1.00000
     45     -11.6211      1.00000
     46     -11.5738      1.00000
     47     -10.9501      1.00000
     48     -10.9169      1.00000
     49     -10.6382      1.00000
     50     -10.6316      1.00000
     51     -10.5522      1.00000
     52     -10.4991      1.00000
     53     -10.4991      1.00000
     54     -10.4451      1.00000
     55     -10.3729      1.00000
     56     -10.1028      1.00000
     57      -9.9066      1.00000
     58      -9.6215      1.00000
     59      -9.5692      1.00000
     60      -9.4545      1.00000
     61      -9.4122      1.00000
     62      -9.4090      1.00000
     63      -9.3868      1.00000
     64      -9.3851      1.00000
     65      -9.2899      1.00000
     66      -9.1676      1.00000
     67      -9.1416      1.00000
     68      -9.1160      1.00000
     69      -8.8640      1.00000
     70      -8.8559      1.00000
     71      -8.8188      1.00000
     72      -8.6009      1.00000
     73      -8.4843      1.00000
     74      -8.1993      1.00000
     75      -8.1635      1.00000
     76      -8.0124      1.00000
     77      -7.9674      1.00000
     78      -7.8610      1.00000
     79      -7.8509      1.00000
     80      -7.7102      1.00000
     81      -7.7041      1.00000
     82      -7.6252      1.00000
     83      -7.4529      1.00000
     84      -7.3045      1.00000
     85      -7.2576      1.00000
     86      -6.9082      1.00000
     87      -6.8936      1.00000
     88      -6.5918      1.00000
     89      -6.5544      1.00000
     90      -6.4171      1.00000
     91      -6.2544      1.00000
     92      -6.2341      1.00000
     93      -6.2030      1.00000
     94      -6.0287      1.00000
     95      -5.5553      1.00000
     96      -5.4941      1.00000
     97      -5.3561      1.00000
     98      -5.2254      1.00000
     99      -4.9803      1.00000
    100      -4.7362      1.00000
    101      -4.6812      1.00000
    102      -4.3913      1.00000
    103      -4.2079      1.00000
    104      -3.8747      1.00000
    105      -3.5484      1.00000
    106      -3.5144      1.00000
    107      -2.2608      0.00000
    108      -1.4616      0.00000
    109      -1.3731      0.00000
    110      -1.2461      0.00000
    111      -1.1033      0.00000
    112      -0.9509      0.00000
    113      -0.8688      0.00000
    114      -0.8079      0.00000
    115      -0.1413      0.00000
    116       0.1104      0.00000
    117       0.2396      0.00000
    118       0.3742      0.00000
    119       0.6348      0.00000
    120       0.8293      0.00000
    121       0.9304      0.00000
    122       1.0509      0.00000
    123       1.2149      0.00000
    124       1.4359      0.00000
    125       1.5228      0.00000
    126       1.7588      0.00000
    127       1.7836      0.00000
    128       1.8642      0.00000
    129       1.9388      0.00000
    130       2.0355      0.00000
    131       2.1495      0.00000
    132       2.1876      0.00000
    133       2.3891      0.00000
    134       2.4708      0.00000
    135       2.5376      0.00000
    136       2.6008      0.00000
    137       2.6365      0.00000
    138       2.6748      0.00000
    139       2.7657      0.00000
    140       2.8088      0.00000
    141       2.9246      0.00000
    142       3.0640      0.00000
    143       3.1743      0.00000
    144       3.2163      0.00000
    145       3.2551      0.00000
    146       3.3167      0.00000
    147       3.3235      0.00000
    148       3.4462      0.00000
    149       3.4691      0.00000
    150       3.6813      0.00000
    151       3.6873      0.00000
    152       3.7073      0.00000
    153       3.8399      0.00000
    154       3.8980      0.00000
    155       3.9294      0.00000
    156       3.9682      0.00000
    157       4.0147      0.00000
    158       4.0244      0.00000
    159       4.0682      0.00000
    160       4.0739      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2143      1.00000
      2     -22.1212      1.00000
      3     -21.9603      1.00000
      4     -21.4077      1.00000
      5     -21.0537      1.00000
      6     -21.0177      1.00000
      7     -20.5045      1.00000
      8     -20.4648      1.00000
      9     -20.2994      1.00000
     10     -20.2800      1.00000
     11     -19.9605      1.00000
     12     -19.8947      1.00000
     13     -18.8852      1.00000
     14     -18.8163      1.00000
     15     -18.3580      1.00000
     16     -18.3116      1.00000
     17     -18.1576      1.00000
     18     -18.1388      1.00000
     19     -17.8320      1.00000
     20     -17.7937      1.00000
     21     -17.2580      1.00000
     22     -17.2416      1.00000
     23     -17.1714      1.00000
     24     -17.1349      1.00000
     25     -16.1147      1.00000
     26     -15.8879      1.00000
     27     -15.8732      1.00000
     28     -15.8363      1.00000
     29     -15.2423      1.00000
     30     -14.5572      1.00000
     31     -14.5293      1.00000
     32     -14.2856      1.00000
     33     -13.9706      1.00000
     34     -13.9614      1.00000
     35     -13.8260      1.00000
     36     -13.8082      1.00000
     37     -13.6191      1.00000
     38     -13.5740      1.00000
     39     -13.3740      1.00000
     40     -12.6390      1.00000
     41     -12.1849      1.00000
     42     -12.1357      1.00000
     43     -12.0742      1.00000
     44     -12.0218      1.00000
     45     -11.6770      1.00000
     46     -11.6632      1.00000
     47     -11.1418      1.00000
     48     -11.1199      1.00000
     49     -10.7952      1.00000
     50     -10.7312      1.00000
     51     -10.5328      1.00000
     52     -10.2212      1.00000
     53     -10.2062      1.00000
     54     -10.1677      1.00000
     55     -10.0257      1.00000
     56     -10.0079      1.00000
     57      -9.9933      1.00000
     58      -9.8120      1.00000
     59      -9.7995      1.00000
     60      -9.7671      1.00000
     61      -9.7601      1.00000
     62      -9.4542      1.00000
     63      -9.4202      1.00000
     64      -9.0840      1.00000
     65      -9.0807      1.00000
     66      -9.0439      1.00000
     67      -8.9583      1.00000
     68      -8.8806      1.00000
     69      -8.7205      1.00000
     70      -8.7046      1.00000
     71      -8.5665      1.00000
     72      -8.5430      1.00000
     73      -8.5020      1.00000
     74      -8.4705      1.00000
     75      -8.4550      1.00000
     76      -8.2636      1.00000
     77      -8.1296      1.00000
     78      -8.0471      1.00000
     79      -7.9215      1.00000
     80      -7.8669      1.00000
     81      -7.6177      1.00000
     82      -7.5512      1.00000
     83      -7.4933      1.00000
     84      -7.2725      1.00000
     85      -7.0030      1.00000
     86      -6.9299      1.00000
     87      -6.8888      1.00000
     88      -6.5342      1.00000
     89      -6.4881      1.00000
     90      -6.4642      1.00000
     91      -6.4121      1.00000
     92      -5.9886      1.00000
     93      -5.9017      1.00000
     94      -5.7899      1.00000
     95      -5.7610      1.00000
     96      -5.4370      1.00000
     97      -5.3333      1.00000
     98      -5.2349      1.00000
     99      -5.2231      1.00000
    100      -5.1891      1.00000
    101      -4.6951      1.00000
    102      -4.4253      1.00000
    103      -4.2144      1.00000
    104      -3.8383      1.00000
    105      -3.5336      1.00000
    106      -3.2769      1.00000
    107      -2.5358      0.00000
    108      -1.4633      0.00000
    109      -1.2700      0.00000
    110      -1.2071      0.00000
    111      -1.1760      0.00000
    112      -0.7238      0.00000
    113      -0.5080      0.00000
    114      -0.4157      0.00000
    115      -0.3422      0.00000
    116      -0.1503      0.00000
    117      -0.0085      0.00000
    118       0.1907      0.00000
    119       0.5585      0.00000
    120       0.6070      0.00000
    121       0.7815      0.00000
    122       0.8912      0.00000
    123       1.1157      0.00000
    124       1.4706      0.00000
    125       1.6200      0.00000
    126       1.8197      0.00000
    127       1.9068      0.00000
    128       2.0823      0.00000
    129       2.0946      0.00000
    130       2.1621      0.00000
    131       2.1916      0.00000
    132       2.2742      0.00000
    133       2.3401      0.00000
    134       2.4697      0.00000
    135       2.5736      0.00000
    136       2.6386      0.00000
    137       2.8330      0.00000
    138       2.8627      0.00000
    139       2.8792      0.00000
    140       3.0080      0.00000
    141       3.0133      0.00000
    142       3.1193      0.00000
    143       3.1889      0.00000
    144       3.2258      0.00000
    145       3.2622      0.00000
    146       3.2660      0.00000
    147       3.2917      0.00000
    148       3.3310      0.00000
    149       3.3980      0.00000
    150       3.4167      0.00000
    151       3.5233      0.00000
    152       3.6041      0.00000
    153       3.7162      0.00000
    154       3.7308      0.00000
    155       3.7468      0.00000
    156       3.8783      0.00000
    157       3.9276      0.00000
    158       3.9858      0.00000
    159       4.0967      0.00000
    160       4.1934      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3210      1.00000
      2     -21.9680      1.00000
      3     -21.8957      1.00000
      4     -21.3886      1.00000
      5     -21.3521      1.00000
      6     -20.8427      1.00000
      7     -20.7762      1.00000
      8     -20.6280      1.00000
      9     -20.0940      1.00000
     10     -20.0651      1.00000
     11     -19.7220      1.00000
     12     -19.6928      1.00000
     13     -19.0141      1.00000
     14     -18.9825      1.00000
     15     -18.6550      1.00000
     16     -18.6220      1.00000
     17     -18.4629      1.00000
     18     -17.6643      1.00000
     19     -17.6479      1.00000
     20     -17.6131      1.00000
     21     -17.5801      1.00000
     22     -17.1424      1.00000
     23     -17.1012      1.00000
     24     -16.9722      1.00000
     25     -16.0143      1.00000
     26     -15.9276      1.00000
     27     -15.6022      1.00000
     28     -15.5785      1.00000
     29     -15.2831      1.00000
     30     -14.8810      1.00000
     31     -14.8336      1.00000
     32     -14.5768      1.00000
     33     -14.5389      1.00000
     34     -14.1707      1.00000
     35     -14.1652      1.00000
     36     -13.1665      1.00000
     37     -13.0982      1.00000
     38     -13.0252      1.00000
     39     -13.0202      1.00000
     40     -12.7209      1.00000
     41     -12.6962      1.00000
     42     -12.3460      1.00000
     43     -12.3183      1.00000
     44     -11.6388      1.00000
     45     -11.6283      1.00000
     46     -11.5745      1.00000
     47     -10.9481      1.00000
     48     -10.9263      1.00000
     49     -10.6726      1.00000
     50     -10.5919      1.00000
     51     -10.5768      1.00000
     52     -10.5101      1.00000
     53     -10.4916      1.00000
     54     -10.4425      1.00000
     55     -10.3558      1.00000
     56     -10.1071      1.00000
     57      -9.9008      1.00000
     58      -9.6083      1.00000
     59      -9.5508      1.00000
     60      -9.4573      1.00000
     61      -9.4307      1.00000
     62      -9.4091      1.00000
     63      -9.3796      1.00000
     64      -9.3732      1.00000
     65      -9.2710      1.00000
     66      -9.1720      1.00000
     67      -9.1481      1.00000
     68      -9.1207      1.00000
     69      -8.8763      1.00000
     70      -8.8628      1.00000
     71      -8.8055      1.00000
     72      -8.5990      1.00000
     73      -8.5300      1.00000
     74      -8.2010      1.00000
     75      -8.1742      1.00000
     76      -8.0795      1.00000
     77      -7.8595      1.00000
     78      -7.8389      1.00000
     79      -7.8261      1.00000
     80      -7.7155      1.00000
     81      -7.6974      1.00000
     82      -7.6012      1.00000
     83      -7.5337      1.00000
     84      -7.3543      1.00000
     85      -7.1714      1.00000
     86      -6.9138      1.00000
     87      -6.8979      1.00000
     88      -6.5978      1.00000
     89      -6.5532      1.00000
     90      -6.4073      1.00000
     91      -6.3070      1.00000
     92      -6.2520      1.00000
     93      -6.2081      1.00000
     94      -6.0063      1.00000
     95      -5.5363      1.00000
     96      -5.4661      1.00000
     97      -5.3173      1.00000
     98      -5.2116      1.00000
     99      -5.0520      1.00000
    100      -4.7290      1.00000
    101      -4.6742      1.00000
    102      -4.4280      1.00000
    103      -4.1997      1.00000
    104      -3.8471      1.00000
    105      -3.6391      1.00000
    106      -3.4205      1.00000
    107      -2.2962      0.00000
    108      -1.5142      0.00000
    109      -1.2739      0.00000
    110      -1.2665      0.00000
    111      -1.0395      0.00000
    112      -0.9788      0.00000
    113      -0.8721      0.00000
    114      -0.8036      0.00000
    115      -0.2647      0.00000
    116       0.1982      0.00000
    117       0.2342      0.00000
    118       0.3556      0.00000
    119       0.6752      0.00000
    120       0.8900      0.00000
    121       0.9181      0.00000
    122       1.0279      0.00000
    123       1.1528      0.00000
    124       1.4942      0.00000
    125       1.5334      0.00000
    126       1.6963      0.00000
    127       1.7724      0.00000
    128       1.8266      0.00000
    129       1.9439      0.00000
    130       1.9685      0.00000
    131       2.1801      0.00000
    132       2.2338      0.00000
    133       2.3892      0.00000
    134       2.4766      0.00000
    135       2.5386      0.00000
    136       2.5917      0.00000
    137       2.6116      0.00000
    138       2.6785      0.00000
    139       2.7476      0.00000
    140       2.8372      0.00000
    141       3.0153      0.00000
    142       3.0629      0.00000
    143       3.1779      0.00000
    144       3.2419      0.00000
    145       3.2561      0.00000
    146       3.2923      0.00000
    147       3.3446      0.00000
    148       3.4284      0.00000
    149       3.4937      0.00000
    150       3.6728      0.00000
    151       3.7096      0.00000
    152       3.7169      0.00000
    153       3.8125      0.00000
    154       3.8815      0.00000
    155       3.9133      0.00000
    156       3.9650      0.00000
    157       3.9958      0.00000
    158       4.0437      0.00000
    159       4.0480      0.00000
    160       4.0908      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3931      1.00000
      2     -21.8341      1.00000
      3     -21.6455      1.00000
      4     -21.6103      1.00000
      5     -21.2827      1.00000
      6     -21.2354      1.00000
      7     -21.0591      1.00000
      8     -20.1746      1.00000
      9     -20.1282      1.00000
     10     -19.6223      1.00000
     11     -19.5967      1.00000
     12     -19.4171      1.00000
     13     -19.0978      1.00000
     14     -19.0602      1.00000
     15     -19.0563      1.00000
     16     -19.0416      1.00000
     17     -18.3714      1.00000
     18     -18.3521      1.00000
     19     -18.0168      1.00000
     20     -17.0735      1.00000
     21     -17.0239      1.00000
     22     -16.9537      1.00000
     23     -16.9405      1.00000
     24     -16.4828      1.00000
     25     -16.4704      1.00000
     26     -15.6155      1.00000
     27     -15.6150      1.00000
     28     -15.2518      1.00000
     29     -15.2403      1.00000
     30     -15.1915      1.00000
     31     -15.1025      1.00000
     32     -15.0699      1.00000
     33     -14.7045      1.00000
     34     -14.7040      1.00000
     35     -13.7309      1.00000
     36     -13.7304      1.00000
     37     -13.2337      1.00000
     38     -12.6261      1.00000
     39     -12.5823      1.00000
     40     -12.4557      1.00000
     41     -12.4506      1.00000
     42     -12.1089      1.00000
     43     -12.1046      1.00000
     44     -11.7320      1.00000
     45     -11.6933      1.00000
     46     -11.2511      1.00000
     47     -11.2311      1.00000
     48     -11.0173      1.00000
     49     -11.0057      1.00000
     50     -10.9348      1.00000
     51     -10.9063      1.00000
     52     -10.6407      1.00000
     53     -10.1741      1.00000
     54     -10.1510      1.00000
     55     -10.0828      1.00000
     56      -9.9951      1.00000
     57      -9.6981      1.00000
     58      -9.6919      1.00000
     59      -9.6734      1.00000
     60      -9.5987      1.00000
     61      -9.5747      1.00000
     62      -9.5578      1.00000
     63      -9.3129      1.00000
     64      -9.2989      1.00000
     65      -9.2854      1.00000
     66      -9.2565      1.00000
     67      -9.1250      1.00000
     68      -9.1123      1.00000
     69      -9.1106      1.00000
     70      -8.9419      1.00000
     71      -8.8885      1.00000
     72      -8.6129      1.00000
     73      -8.5936      1.00000
     74      -8.2750      1.00000
     75      -8.0985      1.00000
     76      -7.8798      1.00000
     77      -7.8461      1.00000
     78      -7.7938      1.00000
     79      -7.7650      1.00000
     80      -7.7557      1.00000
     81      -7.4515      1.00000
     82      -7.3347      1.00000
     83      -7.3235      1.00000
     84      -7.2715      1.00000
     85      -7.1670      1.00000
     86      -7.0271      1.00000
     87      -6.9884      1.00000
     88      -6.7226      1.00000
     89      -6.6947      1.00000
     90      -6.6337      1.00000
     91      -6.5931      1.00000
     92      -6.1150      1.00000
     93      -6.0669      1.00000
     94      -6.0484      1.00000
     95      -6.0370      1.00000
     96      -5.7486      1.00000
     97      -4.9792      1.00000
     98      -4.8440      1.00000
     99      -4.7110      1.00000
    100      -4.6749      1.00000
    101      -4.4880      1.00000
    102      -4.3578      1.00000
    103      -4.1173      1.00000
    104      -4.0601      1.00000
    105      -3.7591      1.00000
    106      -3.4698      1.00000
    107      -1.9543      0.00000
    108      -1.7752      0.00000
    109      -1.4841      0.00000
    110      -1.3609      0.00000
    111      -1.3392      0.00000
    112      -1.2958      0.00000
    113      -0.6793      0.00000
    114      -0.4756      0.00000
    115      -0.2418      0.00000
    116       0.0479      0.00000
    117       0.5700      0.00000
    118       0.6863      0.00000
    119       0.7639      0.00000
    120       1.0184      0.00000
    121       1.0928      0.00000
    122       1.1706      0.00000
    123       1.2424      0.00000
    124       1.3242      0.00000
    125       1.4118      0.00000
    126       1.5709      0.00000
    127       1.7602      0.00000
    128       1.8299      0.00000
    129       1.8556      0.00000
    130       1.8765      0.00000
    131       2.0391      0.00000
    132       2.1968      0.00000
    133       2.2039      0.00000
    134       2.2577      0.00000
    135       2.4634      0.00000
    136       2.5957      0.00000
    137       2.6492      0.00000
    138       2.7181      0.00000
    139       2.7852      0.00000
    140       2.8297      0.00000
    141       2.8372      0.00000
    142       2.8823      0.00000
    143       2.9494      0.00000
    144       3.0483      0.00000
    145       3.2919      0.00000
    146       3.3486      0.00000
    147       3.4058      0.00000
    148       3.4197      0.00000
    149       3.4200      0.00000
    150       3.5892      0.00000
    151       3.6531      0.00000
    152       3.6644      0.00000
    153       3.7165      0.00000
    154       3.8811      0.00000
    155       3.9009      0.00000
    156       3.9411      0.00000
    157       4.0829      0.00000
    158       4.1864      0.00000
    159       4.2449      0.00000
    160       4.2666      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2133      1.00000
      2     -22.1222      1.00000
      3     -21.9604      1.00000
      4     -21.4089      1.00000
      5     -21.0495      1.00000
      6     -21.0208      1.00000
      7     -20.4998      1.00000
      8     -20.4695      1.00000
      9     -20.2882      1.00000
     10     -20.2863      1.00000
     11     -19.9618      1.00000
     12     -19.8986      1.00000
     13     -18.8894      1.00000
     14     -18.8217      1.00000
     15     -18.3389      1.00000
     16     -18.3200      1.00000
     17     -18.1528      1.00000
     18     -18.1454      1.00000
     19     -17.8174      1.00000
     20     -17.7994      1.00000
     21     -17.2639      1.00000
     22     -17.2439      1.00000
     23     -17.1587      1.00000
     24     -17.1430      1.00000
     25     -16.1180      1.00000
     26     -15.8861      1.00000
     27     -15.8748      1.00000
     28     -15.8487      1.00000
     29     -15.2313      1.00000
     30     -14.5585      1.00000
     31     -14.5397      1.00000
     32     -14.2771      1.00000
     33     -13.9749      1.00000
     34     -13.9513      1.00000
     35     -13.8277      1.00000
     36     -13.8053      1.00000
     37     -13.6084      1.00000
     38     -13.5830      1.00000
     39     -13.3726      1.00000
     40     -12.6408      1.00000
     41     -12.1745      1.00000
     42     -12.1480      1.00000
     43     -12.0749      1.00000
     44     -12.0280      1.00000
     45     -11.6629      1.00000
     46     -11.6578      1.00000
     47     -11.1446      1.00000
     48     -11.1337      1.00000
     49     -10.8014      1.00000
     50     -10.7452      1.00000
     51     -10.5396      1.00000
     52     -10.2076      1.00000
     53     -10.2011      1.00000
     54     -10.1731      1.00000
     55     -10.0239      1.00000
     56      -9.9970      1.00000
     57      -9.9908      1.00000
     58      -9.8052      1.00000
     59      -9.7951      1.00000
     60      -9.7690      1.00000
     61      -9.7622      1.00000
     62      -9.4676      1.00000
     63      -9.4215      1.00000
     64      -9.0860      1.00000
     65      -9.0465      1.00000
     66      -9.0284      1.00000
     67      -8.9766      1.00000
     68      -8.9010      1.00000
     69      -8.7074      1.00000
     70      -8.6980      1.00000
     71      -8.5725      1.00000
     72      -8.5608      1.00000
     73      -8.4815      1.00000
     74      -8.4629      1.00000
     75      -8.4595      1.00000
     76      -8.3117      1.00000
     77      -8.0975      1.00000
     78      -8.0916      1.00000
     79      -7.9275      1.00000
     80      -7.8352      1.00000
     81      -7.6054      1.00000
     82      -7.5460      1.00000
     83      -7.4477      1.00000
     84      -7.3198      1.00000
     85      -6.9923      1.00000
     86      -6.9181      1.00000
     87      -6.8813      1.00000
     88      -6.5374      1.00000
     89      -6.5217      1.00000
     90      -6.4893      1.00000
     91      -6.4258      1.00000
     92      -5.9293      1.00000
     93      -5.9071      1.00000
     94      -5.7918      1.00000
     95      -5.7786      1.00000
     96      -5.3718      1.00000
     97      -5.3662      1.00000
     98      -5.2210      1.00000
     99      -5.2192      1.00000
    100      -5.2032      1.00000
    101      -4.7263      1.00000
    102      -4.4469      1.00000
    103      -4.1959      1.00000
    104      -3.8246      1.00000
    105      -3.5702      1.00000
    106      -3.2268      1.00000
    107      -2.5651      0.00000
    108      -1.4682      0.00000
    109      -1.2677      0.00000
    110      -1.1895      0.00000
    111      -1.1894      0.00000
    112      -0.6489      0.00000
    113      -0.5551      0.00000
    114      -0.4196      0.00000
    115      -0.3539      0.00000
    116      -0.0808      0.00000
    117      -0.0655      0.00000
    118       0.1236      0.00000
    119       0.5876      0.00000
    120       0.6204      0.00000
    121       0.8395      0.00000
    122       0.9676      0.00000
    123       0.9902      0.00000
    124       1.4809      0.00000
    125       1.6672      0.00000
    126       1.7286      0.00000
    127       1.8332      0.00000
    128       2.0850      0.00000
    129       2.1573      0.00000
    130       2.1846      0.00000
    131       2.2030      0.00000
    132       2.2537      0.00000
    133       2.3506      0.00000
    134       2.4769      0.00000
    135       2.5201      0.00000
    136       2.6417      0.00000
    137       2.8510      0.00000
    138       2.8532      0.00000
    139       2.9361      0.00000
    140       2.9973      0.00000
    141       3.0240      0.00000
    142       3.1160      0.00000
    143       3.2023      0.00000
    144       3.2272      0.00000
    145       3.2398      0.00000
    146       3.2683      0.00000
    147       3.2894      0.00000
    148       3.3389      0.00000
    149       3.3886      0.00000
    150       3.5230      0.00000
    151       3.5446      0.00000
    152       3.6251      0.00000
    153       3.6408      0.00000
    154       3.7119      0.00000
    155       3.7303      0.00000
    156       3.8774      0.00000
    157       3.9478      0.00000
    158       4.0122      0.00000
    159       4.0433      0.00000
    160       4.1536      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2867      1.00000
      2     -22.0819      1.00000
      3     -21.7244      1.00000
      4     -21.6849      1.00000
      5     -20.9865      1.00000
      6     -20.9384      1.00000
      7     -20.6148      1.00000
      8     -20.5813      1.00000
      9     -20.5687      1.00000
     10     -20.0340      1.00000
     11     -19.5187      1.00000
     12     -19.4892      1.00000
     13     -19.3166      1.00000
     14     -19.3041      1.00000
     15     -18.4515      1.00000
     16     -18.4080      1.00000
     17     -17.9319      1.00000
     18     -17.9120      1.00000
     19     -17.7673      1.00000
     20     -17.7220      1.00000
     21     -17.4458      1.00000
     22     -17.4278      1.00000
     23     -17.3372      1.00000
     24     -16.4794      1.00000
     25     -16.4685      1.00000
     26     -15.9714      1.00000
     27     -15.4175      1.00000
     28     -15.4167      1.00000
     29     -15.1027      1.00000
     30     -15.0993      1.00000
     31     -14.8539      1.00000
     32     -14.8422      1.00000
     33     -14.2986      1.00000
     34     -14.2550      1.00000
     35     -13.4452      1.00000
     36     -13.4015      1.00000
     37     -13.1800      1.00000
     38     -13.1792      1.00000
     39     -12.9873      1.00000
     40     -12.9786      1.00000
     41     -12.6150      1.00000
     42     -12.6136      1.00000
     43     -12.1947      1.00000
     44     -11.5895      1.00000
     45     -11.5483      1.00000
     46     -11.3224      1.00000
     47     -11.2921      1.00000
     48     -11.1395      1.00000
     49     -10.6988      1.00000
     50     -10.6706      1.00000
     51     -10.5514      1.00000
     52     -10.3215      1.00000
     53     -10.3137      1.00000
     54     -10.1788      1.00000
     55     -10.1293      1.00000
     56     -10.1150      1.00000
     57      -9.8144      1.00000
     58      -9.7535      1.00000
     59      -9.7521      1.00000
     60      -9.7018      1.00000
     61      -9.6981      1.00000
     62      -9.6501      1.00000
     63      -9.3531      1.00000
     64      -9.3513      1.00000
     65      -9.3315      1.00000
     66      -9.0314      1.00000
     67      -8.9618      1.00000
     68      -8.9582      1.00000
     69      -8.7783      1.00000
     70      -8.6047      1.00000
     71      -8.5919      1.00000
     72      -8.4259      1.00000
     73      -8.3525      1.00000
     74      -8.3275      1.00000
     75      -8.3027      1.00000
     76      -8.2714      1.00000
     77      -8.2609      1.00000
     78      -8.2493      1.00000
     79      -7.9243      1.00000
     80      -7.7373      1.00000
     81      -7.3792      1.00000
     82      -7.3503      1.00000
     83      -7.3279      1.00000
     84      -7.2150      1.00000
     85      -7.1655      1.00000
     86      -7.0696      1.00000
     87      -6.9658      1.00000
     88      -6.9095      1.00000
     89      -6.6254      1.00000
     90      -6.5534      1.00000
     91      -6.2828      1.00000
     92      -5.9988      1.00000
     93      -5.9611      1.00000
     94      -5.6793      1.00000
     95      -5.6532      1.00000
     96      -5.3898      1.00000
     97      -5.3161      1.00000
     98      -5.2963      1.00000
     99      -5.2152      1.00000
    100      -5.2040      1.00000
    101      -4.5159      1.00000
    102      -4.3443      1.00000
    103      -4.0025      1.00000
    104      -3.8908      1.00000
    105      -3.7973      1.00000
    106      -3.4478      1.00000
    107      -2.0374      0.00000
    108      -1.8668      0.00000
    109      -1.2230      0.00000
    110      -1.1844      0.00000
    111      -1.0418      0.00000
    112      -0.7779      0.00000
    113      -0.6803      0.00000
    114      -0.6661      0.00000
    115      -0.6127      0.00000
    116      -0.1042      0.00000
    117       0.2191      0.00000
    118       0.2369      0.00000
    119       0.7520      0.00000
    120       0.9683      0.00000
    121       1.0670      0.00000
    122       1.2324      0.00000
    123       1.2433      0.00000
    124       1.3270      0.00000
    125       1.5636      0.00000
    126       1.5786      0.00000
    127       1.6750      0.00000
    128       1.7857      0.00000
    129       1.9222      0.00000
    130       1.9276      0.00000
    131       2.0948      0.00000
    132       2.3034      0.00000
    133       2.3369      0.00000
    134       2.3943      0.00000
    135       2.5176      0.00000
    136       2.6128      0.00000
    137       2.7777      0.00000
    138       2.8235      0.00000
    139       2.8399      0.00000
    140       2.8579      0.00000
    141       3.0372      0.00000
    142       3.0802      0.00000
    143       3.1237      0.00000
    144       3.2007      0.00000
    145       3.3572      0.00000
    146       3.3981      0.00000
    147       3.4845      0.00000
    148       3.5287      0.00000
    149       3.5773      0.00000
    150       3.6022      0.00000
    151       3.6258      0.00000
    152       3.7201      0.00000
    153       3.7230      0.00000
    154       3.7683      0.00000
    155       3.8263      0.00000
    156       3.8631      0.00000
    157       3.9949      0.00000
    158       4.0658      0.00000
    159       4.1484      0.00000
    160       4.1804      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4299      1.00000
      2     -21.6071      1.00000
      3     -21.4846      1.00000
      4     -21.4762      1.00000
      5     -21.4440      1.00000
      6     -21.4437      1.00000
      7     -21.4333      1.00000
      8     -19.7115      1.00000
      9     -19.6554      1.00000
     10     -19.6349      1.00000
     11     -19.6204      1.00000
     12     -19.6172      1.00000
     13     -19.6150      1.00000
     14     -18.7940      1.00000
     15     -18.7563      1.00000
     16     -18.7401      1.00000
     17     -18.7308      1.00000
     18     -18.7196      1.00000
     19     -18.7166      1.00000
     20     -16.6416      1.00000
     21     -16.6099      1.00000
     22     -16.5882      1.00000
     23     -16.5875      1.00000
     24     -16.5571      1.00000
     25     -16.5556      1.00000
     26     -15.6169      1.00000
     27     -15.6059      1.00000
     28     -15.6028      1.00000
     29     -15.5693      1.00000
     30     -15.5671      1.00000
     31     -15.5643      1.00000
     32     -14.2619      1.00000
     33     -14.2547      1.00000
     34     -14.2465      1.00000
     35     -14.2414      1.00000
     36     -14.2256      1.00000
     37     -14.2206      1.00000
     38     -11.9089      1.00000
     39     -11.8826      1.00000
     40     -11.8712      1.00000
     41     -11.8712      1.00000
     42     -11.8491      1.00000
     43     -11.8485      1.00000
     44     -11.7757      1.00000
     45     -11.7729      1.00000
     46     -11.7362      1.00000
     47     -11.7342      1.00000
     48     -11.7317      1.00000
     49     -11.7223      1.00000
     50     -10.6796      1.00000
     51     -10.3920      1.00000
     52     -10.3879      1.00000
     53     -10.3812      1.00000
     54     -10.3706      1.00000
     55     -10.3599      1.00000
     56     -10.3572      1.00000
     57      -9.9079      1.00000
     58      -9.4534      1.00000
     59      -9.4088      1.00000
     60      -9.3656      1.00000
     61      -9.3645      1.00000
     62      -9.3569      1.00000
     63      -9.1419      1.00000
     64      -9.1350      1.00000
     65      -9.1238      1.00000
     66      -9.0904      1.00000
     67      -9.0760      1.00000
     68      -9.0721      1.00000
     69      -9.0715      1.00000
     70      -9.0702      1.00000
     71      -9.0661      1.00000
     72      -9.0465      1.00000
     73      -9.0301      1.00000
     74      -9.0281      1.00000
     75      -8.1344      1.00000
     76      -7.7511      1.00000
     77      -7.4768      1.00000
     78      -7.4663      1.00000
     79      -7.4626      1.00000
     80      -7.4376      1.00000
     81      -7.4240      1.00000
     82      -7.4107      1.00000
     83      -7.3176      1.00000
     84      -7.2730      1.00000
     85      -7.2608      1.00000
     86      -7.2518      1.00000
     87      -7.1540      1.00000
     88      -7.0529      1.00000
     89      -6.4499      1.00000
     90      -6.4207      1.00000
     91      -6.4052      1.00000
     92      -6.3650      1.00000
     93      -6.3558      1.00000
     94      -6.3431      1.00000
     95      -5.9699      1.00000
     96      -5.9552      1.00000
     97      -4.8114      1.00000
     98      -4.5485      1.00000
     99      -4.4836      1.00000
    100      -4.4796      1.00000
    101      -4.3857      1.00000
    102      -4.3843      1.00000
    103      -4.2725      1.00000
    104      -4.1916      1.00000
    105      -3.7432      1.00000
    106      -3.4819      1.00000
    107      -1.8664      0.00000
    108      -1.6730      0.00000
    109      -1.6282      0.00000
    110      -1.5965      0.00000
    111      -1.5795      0.00000
    112      -1.5793      0.00000
    113      -0.4317      0.00000
    114       0.1449      0.00000
    115       0.1857      0.00000
    116       0.2495      0.00000
    117       0.2653      0.00000
    118       0.2668      0.00000
    119       0.4735      0.00000
    120       0.5294      0.00000
    121       1.2321      0.00000
    122       1.2838      0.00000
    123       1.5096      0.00000
    124       1.7532      0.00000
    125       1.7556      0.00000
    126       1.7566      0.00000
    127       1.8097      0.00000
    128       1.8197      0.00000
    129       1.9534      0.00000
    130       1.9597      0.00000
    131       1.9692      0.00000
    132       1.9835      0.00000
    133       1.9917      0.00000
    134       2.0614      0.00000
    135       2.2216      0.00000
    136       2.3364      0.00000
    137       2.5721      0.00000
    138       2.5754      0.00000
    139       2.5956      0.00000
    140       2.6948      0.00000
    141       2.9198      0.00000
    142       3.0518      0.00000
    143       3.0739      0.00000
    144       3.0939      0.00000
    145       3.1083      0.00000
    146       3.1112      0.00000
    147       3.1147      0.00000
    148       3.2566      0.00000
    149       3.4425      0.00000
    150       3.4884      0.00000
    151       3.8235      0.00000
    152       3.9490      0.00000
    153       3.9521      0.00000
    154       3.9539      0.00000
    155       3.9554      0.00000
    156       3.9885      0.00000
    157       4.1700      0.00000
    158       4.2469      0.00000
    159       4.2535      0.00000
    160       4.2701      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3932      1.00000
      2     -21.8343      1.00000
      3     -21.6416      1.00000
      4     -21.6137      1.00000
      5     -21.2782      1.00000
      6     -21.2387      1.00000
      7     -21.0609      1.00000
      8     -20.1717      1.00000
      9     -20.1333      1.00000
     10     -19.6111      1.00000
     11     -19.6003      1.00000
     12     -19.4219      1.00000
     13     -19.0943      1.00000
     14     -19.0615      1.00000
     15     -19.0535      1.00000
     16     -19.0452      1.00000
     17     -18.3648      1.00000
     18     -18.3544      1.00000
     19     -18.0246      1.00000
     20     -17.0750      1.00000
     21     -17.0355      1.00000
     22     -16.9511      1.00000
     23     -16.9398      1.00000
     24     -16.4718      1.00000
     25     -16.4631      1.00000
     26     -15.6156      1.00000
     27     -15.6106      1.00000
     28     -15.2564      1.00000
     29     -15.2489      1.00000
     30     -15.1904      1.00000
     31     -15.1030      1.00000
     32     -15.0758      1.00000
     33     -14.7028      1.00000
     34     -14.6970      1.00000
     35     -13.7324      1.00000
     36     -13.7237      1.00000
     37     -13.2423      1.00000
     38     -12.6195      1.00000
     39     -12.5887      1.00000
     40     -12.4621      1.00000
     41     -12.4525      1.00000
     42     -12.1158      1.00000
     43     -12.1059      1.00000
     44     -11.7177      1.00000
     45     -11.6865      1.00000
     46     -11.2370      1.00000
     47     -11.2303      1.00000
     48     -11.0264      1.00000
     49     -11.0127      1.00000
     50     -10.9287      1.00000
     51     -10.9070      1.00000
     52     -10.6347      1.00000
     53     -10.1641      1.00000
     54     -10.1515      1.00000
     55     -10.0988      1.00000
     56     -10.0026      1.00000
     57      -9.7048      1.00000
     58      -9.7027      1.00000
     59      -9.6589      1.00000
     60      -9.5965      1.00000
     61      -9.5760      1.00000
     62      -9.5621      1.00000
     63      -9.3193      1.00000
     64      -9.3042      1.00000
     65      -9.2767      1.00000
     66      -9.2359      1.00000
     67      -9.1399      1.00000
     68      -9.1282      1.00000
     69      -9.1101      1.00000
     70      -8.9431      1.00000
     71      -8.8712      1.00000
     72      -8.6086      1.00000
     73      -8.5914      1.00000
     74      -8.2407      1.00000
     75      -8.1084      1.00000
     76      -7.9171      1.00000
     77      -7.8638      1.00000
     78      -7.7806      1.00000
     79      -7.7602      1.00000
     80      -7.6964      1.00000
     81      -7.5648      1.00000
     82      -7.3474      1.00000
     83      -7.3263      1.00000
     84      -7.2069      1.00000
     85      -7.1266      1.00000
     86      -7.0361      1.00000
     87      -7.0123      1.00000
     88      -6.7084      1.00000
     89      -6.6808      1.00000
     90      -6.6452      1.00000
     91      -6.6002      1.00000
     92      -6.1244      1.00000
     93      -6.0654      1.00000
     94      -6.0326      1.00000
     95      -6.0128      1.00000
     96      -5.7881      1.00000
     97      -4.9797      1.00000
     98      -4.8346      1.00000
     99      -4.7510      1.00000
    100      -4.6840      1.00000
    101      -4.4733      1.00000
    102      -4.2083      1.00000
    103      -4.1740      1.00000
    104      -4.1318      1.00000
    105      -3.7333      1.00000
    106      -3.4921      1.00000
    107      -1.8750      0.00000
    108      -1.8124      0.00000
    109      -1.5291      0.00000
    110      -1.3801      0.00000
    111      -1.3258      0.00000
    112      -1.2929      0.00000
    113      -0.7253      0.00000
    114      -0.3805      0.00000
    115      -0.2510      0.00000
    116       0.0344      0.00000
    117       0.5407      0.00000
    118       0.6952      0.00000
    119       0.7394      0.00000
    120       1.0420      0.00000
    121       1.0946      0.00000
    122       1.1391      0.00000
    123       1.2196      0.00000
    124       1.3625      0.00000
    125       1.5067      0.00000
    126       1.5561      0.00000
    127       1.7007      0.00000
    128       1.8117      0.00000
    129       1.8545      0.00000
    130       1.8742      0.00000
    131       2.0830      0.00000
    132       2.1615      0.00000
    133       2.2223      0.00000
    134       2.2821      0.00000
    135       2.4905      0.00000
    136       2.5602      0.00000
    137       2.6487      0.00000
    138       2.7639      0.00000
    139       2.7867      0.00000
    140       2.8202      0.00000
    141       2.8677      0.00000
    142       2.8835      0.00000
    143       2.9441      0.00000
    144       3.0457      0.00000
    145       3.1322      0.00000
    146       3.2957      0.00000
    147       3.3921      0.00000
    148       3.4388      0.00000
    149       3.4552      0.00000
    150       3.6064      0.00000
    151       3.6371      0.00000
    152       3.6670      0.00000
    153       3.7092      0.00000
    154       3.8922      0.00000
    155       3.9381      0.00000
    156       3.9945      0.00000
    157       4.0447      0.00000
    158       4.2262      0.00000
    159       4.2381      0.00000
    160       4.2556      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2873      1.00000
      2     -22.0817      1.00000
      3     -21.7200      1.00000
      4     -21.6881      1.00000
      5     -20.9832      1.00000
      6     -20.9424      1.00000
      7     -20.6158      1.00000
      8     -20.5792      1.00000
      9     -20.5727      1.00000
     10     -20.0371      1.00000
     11     -19.5060      1.00000
     12     -19.4943      1.00000
     13     -19.3097      1.00000
     14     -19.3042      1.00000
     15     -18.4526      1.00000
     16     -18.4155      1.00000
     17     -17.9274      1.00000
     18     -17.9145      1.00000
     19     -17.7669      1.00000
     20     -17.7307      1.00000
     21     -17.4418      1.00000
     22     -17.4295      1.00000
     23     -17.3471      1.00000
     24     -16.4651      1.00000
     25     -16.4627      1.00000
     26     -15.9719      1.00000
     27     -15.4152      1.00000
     28     -15.4124      1.00000
     29     -15.0985      1.00000
     30     -15.0957      1.00000
     31     -14.8601      1.00000
     32     -14.8530      1.00000
     33     -14.2960      1.00000
     34     -14.2625      1.00000
     35     -13.4425      1.00000
     36     -13.4092      1.00000
     37     -13.1841      1.00000
     38     -13.1739      1.00000
     39     -12.9867      1.00000
     40     -12.9806      1.00000
     41     -12.6204      1.00000
     42     -12.6094      1.00000
     43     -12.2047      1.00000
     44     -11.5772      1.00000
     45     -11.5431      1.00000
     46     -11.3119      1.00000
     47     -11.2885      1.00000
     48     -11.1493      1.00000
     49     -10.6781      1.00000
     50     -10.6641      1.00000
     51     -10.5566      1.00000
     52     -10.3351      1.00000
     53     -10.3183      1.00000
     54     -10.1722      1.00000
     55     -10.1214      1.00000
     56     -10.1114      1.00000
     57      -9.8008      1.00000
     58      -9.7771      1.00000
     59      -9.7518      1.00000
     60      -9.7093      1.00000
     61      -9.6991      1.00000
     62      -9.6648      1.00000
     63      -9.3671      1.00000
     64      -9.3500      1.00000
     65      -9.3144      1.00000
     66      -9.0444      1.00000
     67      -8.9720      1.00000
     68      -8.9513      1.00000
     69      -8.8026      1.00000
     70      -8.5949      1.00000
     71      -8.5604      1.00000
     72      -8.4018      1.00000
     73      -8.3690      1.00000
     74      -8.3295      1.00000
     75      -8.3113      1.00000
     76      -8.2650      1.00000
     77      -8.2578      1.00000
     78      -8.2363      1.00000
     79      -7.9088      1.00000
     80      -7.6555      1.00000
     81      -7.5541      1.00000
     82      -7.3929      1.00000
     83      -7.3552      1.00000
     84      -7.2387      1.00000
     85      -7.0992      1.00000
     86      -7.0413      1.00000
     87      -6.9371      1.00000
     88      -6.8506      1.00000
     89      -6.6128      1.00000
     90      -6.5668      1.00000
     91      -6.2700      1.00000
     92      -6.0484      1.00000
     93      -5.9555      1.00000
     94      -5.6678      1.00000
     95      -5.6238      1.00000
     96      -5.4680      1.00000
     97      -5.3255      1.00000
     98      -5.2824      1.00000
     99      -5.2194      1.00000
    100      -5.1949      1.00000
    101      -4.5128      1.00000
    102      -4.2125      1.00000
    103      -4.0626      1.00000
    104      -3.9921      1.00000
    105      -3.6977      1.00000
    106      -3.5023      1.00000
    107      -1.9513      0.00000
    108      -1.9003      0.00000
    109      -1.3444      0.00000
    110      -1.0896      0.00000
    111      -1.0601      0.00000
    112      -0.8049      0.00000
    113      -0.6787      0.00000
    114      -0.6521      0.00000
    115      -0.6122      0.00000
    116      -0.1108      0.00000
    117       0.2101      0.00000
    118       0.3257      0.00000
    119       0.6782      0.00000
    120       0.8743      0.00000
    121       1.1218      0.00000
    122       1.1926      0.00000
    123       1.3126      0.00000
    124       1.4031      0.00000
    125       1.5450      0.00000
    126       1.5683      0.00000
    127       1.6555      0.00000
    128       1.7962      0.00000
    129       1.8612      0.00000
    130       2.0320      0.00000
    131       2.1290      0.00000
    132       2.3247      0.00000
    133       2.3593      0.00000
    134       2.3714      0.00000
    135       2.5189      0.00000
    136       2.6153      0.00000
    137       2.7091      0.00000
    138       2.7686      0.00000
    139       2.8382      0.00000
    140       2.8706      0.00000
    141       3.0311      0.00000
    142       3.0437      0.00000
    143       3.1372      0.00000
    144       3.2428      0.00000
    145       3.3385      0.00000
    146       3.3943      0.00000
    147       3.4082      0.00000
    148       3.5600      0.00000
    149       3.5747      0.00000
    150       3.5863      0.00000
    151       3.6456      0.00000
    152       3.6564      0.00000
    153       3.7592      0.00000
    154       3.7872      0.00000
    155       3.8143      0.00000
    156       3.8792      0.00000
    157       3.8976      0.00000
    158       3.9707      0.00000
    159       4.1891      0.00000
    160       4.2126      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3213      1.00000
      2     -21.9665      1.00000
      3     -21.8972      1.00000
      4     -21.3841      1.00000
      5     -21.3545      1.00000
      6     -20.8443      1.00000
      7     -20.7788      1.00000
      8     -20.6290      1.00000
      9     -20.0800      1.00000
     10     -20.0741      1.00000
     11     -19.7212      1.00000
     12     -19.6965      1.00000
     13     -18.9998      1.00000
     14     -18.9936      1.00000
     15     -18.6417      1.00000
     16     -18.6256      1.00000
     17     -18.4689      1.00000
     18     -17.6823      1.00000
     19     -17.6310      1.00000
     20     -17.6288      1.00000
     21     -17.5873      1.00000
     22     -17.1290      1.00000
     23     -17.1077      1.00000
     24     -16.9609      1.00000
     25     -16.0014      1.00000
     26     -15.9313      1.00000
     27     -15.5906      1.00000
     28     -15.5903      1.00000
     29     -15.2917      1.00000
     30     -14.8675      1.00000
     31     -14.8402      1.00000
     32     -14.5866      1.00000
     33     -14.5447      1.00000
     34     -14.1680      1.00000
     35     -14.1543      1.00000
     36     -13.1507      1.00000
     37     -13.1079      1.00000
     38     -13.0378      1.00000
     39     -13.0276      1.00000
     40     -12.7165      1.00000
     41     -12.7123      1.00000
     42     -12.3424      1.00000
     43     -12.3111      1.00000
     44     -11.6353      1.00000
     45     -11.6211      1.00000
     46     -11.5738      1.00000
     47     -10.9501      1.00000
     48     -10.9169      1.00000
     49     -10.6382      1.00000
     50     -10.6316      1.00000
     51     -10.5522      1.00000
     52     -10.4991      1.00000
     53     -10.4991      1.00000
     54     -10.4451      1.00000
     55     -10.3729      1.00000
     56     -10.1028      1.00000
     57      -9.9066      1.00000
     58      -9.6215      1.00000
     59      -9.5692      1.00000
     60      -9.4545      1.00000
     61      -9.4122      1.00000
     62      -9.4090      1.00000
     63      -9.3868      1.00000
     64      -9.3851      1.00000
     65      -9.2899      1.00000
     66      -9.1676      1.00000
     67      -9.1416      1.00000
     68      -9.1160      1.00000
     69      -8.8640      1.00000
     70      -8.8559      1.00000
     71      -8.8188      1.00000
     72      -8.6009      1.00000
     73      -8.4843      1.00000
     74      -8.1993      1.00000
     75      -8.1635      1.00000
     76      -8.0124      1.00000
     77      -7.9674      1.00000
     78      -7.8610      1.00000
     79      -7.8509      1.00000
     80      -7.7102      1.00000
     81      -7.7041      1.00000
     82      -7.6252      1.00000
     83      -7.4529      1.00000
     84      -7.3045      1.00000
     85      -7.2576      1.00000
     86      -6.9082      1.00000
     87      -6.8936      1.00000
     88      -6.5918      1.00000
     89      -6.5544      1.00000
     90      -6.4171      1.00000
     91      -6.2544      1.00000
     92      -6.2341      1.00000
     93      -6.2030      1.00000
     94      -6.0287      1.00000
     95      -5.5553      1.00000
     96      -5.4941      1.00000
     97      -5.3561      1.00000
     98      -5.2254      1.00000
     99      -4.9803      1.00000
    100      -4.7362      1.00000
    101      -4.6812      1.00000
    102      -4.3913      1.00000
    103      -4.2079      1.00000
    104      -3.8747      1.00000
    105      -3.5484      1.00000
    106      -3.5144      1.00000
    107      -2.2608      0.00000
    108      -1.4616      0.00000
    109      -1.3731      0.00000
    110      -1.2461      0.00000
    111      -1.1033      0.00000
    112      -0.9509      0.00000
    113      -0.8688      0.00000
    114      -0.8079      0.00000
    115      -0.1413      0.00000
    116       0.1104      0.00000
    117       0.2396      0.00000
    118       0.3742      0.00000
    119       0.6348      0.00000
    120       0.8293      0.00000
    121       0.9304      0.00000
    122       1.0509      0.00000
    123       1.2149      0.00000
    124       1.4359      0.00000
    125       1.5228      0.00000
    126       1.7588      0.00000
    127       1.7836      0.00000
    128       1.8642      0.00000
    129       1.9388      0.00000
    130       2.0355      0.00000
    131       2.1495      0.00000
    132       2.1876      0.00000
    133       2.3891      0.00000
    134       2.4708      0.00000
    135       2.5376      0.00000
    136       2.6008      0.00000
    137       2.6365      0.00000
    138       2.6748      0.00000
    139       2.7657      0.00000
    140       2.8088      0.00000
    141       2.9246      0.00000
    142       3.0640      0.00000
    143       3.1743      0.00000
    144       3.2163      0.00000
    145       3.2551      0.00000
    146       3.3167      0.00000
    147       3.3234      0.00000
    148       3.4462      0.00000
    149       3.4691      0.00000
    150       3.6813      0.00000
    151       3.6873      0.00000
    152       3.7073      0.00000
    153       3.8399      0.00000
    154       3.8980      0.00000
    155       3.9294      0.00000
    156       3.9682      0.00000
    157       4.0147      0.00000
    158       4.0244      0.00000
    159       4.0682      0.00000
    160       4.0740      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2143      1.00000
      2     -22.1212      1.00000
      3     -21.9603      1.00000
      4     -21.4077      1.00000
      5     -21.0537      1.00000
      6     -21.0177      1.00000
      7     -20.5045      1.00000
      8     -20.4648      1.00000
      9     -20.2994      1.00000
     10     -20.2800      1.00000
     11     -19.9605      1.00000
     12     -19.8947      1.00000
     13     -18.8852      1.00000
     14     -18.8163      1.00000
     15     -18.3580      1.00000
     16     -18.3116      1.00000
     17     -18.1576      1.00000
     18     -18.1388      1.00000
     19     -17.8320      1.00000
     20     -17.7937      1.00000
     21     -17.2580      1.00000
     22     -17.2416      1.00000
     23     -17.1714      1.00000
     24     -17.1349      1.00000
     25     -16.1147      1.00000
     26     -15.8879      1.00000
     27     -15.8732      1.00000
     28     -15.8363      1.00000
     29     -15.2423      1.00000
     30     -14.5572      1.00000
     31     -14.5293      1.00000
     32     -14.2856      1.00000
     33     -13.9706      1.00000
     34     -13.9614      1.00000
     35     -13.8260      1.00000
     36     -13.8082      1.00000
     37     -13.6191      1.00000
     38     -13.5740      1.00000
     39     -13.3740      1.00000
     40     -12.6390      1.00000
     41     -12.1849      1.00000
     42     -12.1357      1.00000
     43     -12.0742      1.00000
     44     -12.0218      1.00000
     45     -11.6770      1.00000
     46     -11.6632      1.00000
     47     -11.1418      1.00000
     48     -11.1199      1.00000
     49     -10.7952      1.00000
     50     -10.7312      1.00000
     51     -10.5328      1.00000
     52     -10.2212      1.00000
     53     -10.2062      1.00000
     54     -10.1677      1.00000
     55     -10.0257      1.00000
     56     -10.0079      1.00000
     57      -9.9933      1.00000
     58      -9.8120      1.00000
     59      -9.7995      1.00000
     60      -9.7671      1.00000
     61      -9.7601      1.00000
     62      -9.4542      1.00000
     63      -9.4202      1.00000
     64      -9.0840      1.00000
     65      -9.0807      1.00000
     66      -9.0439      1.00000
     67      -8.9583      1.00000
     68      -8.8806      1.00000
     69      -8.7205      1.00000
     70      -8.7046      1.00000
     71      -8.5665      1.00000
     72      -8.5430      1.00000
     73      -8.5020      1.00000
     74      -8.4705      1.00000
     75      -8.4550      1.00000
     76      -8.2636      1.00000
     77      -8.1296      1.00000
     78      -8.0471      1.00000
     79      -7.9215      1.00000
     80      -7.8669      1.00000
     81      -7.6177      1.00000
     82      -7.5512      1.00000
     83      -7.4933      1.00000
     84      -7.2725      1.00000
     85      -7.0030      1.00000
     86      -6.9299      1.00000
     87      -6.8888      1.00000
     88      -6.5342      1.00000
     89      -6.4881      1.00000
     90      -6.4642      1.00000
     91      -6.4121      1.00000
     92      -5.9886      1.00000
     93      -5.9017      1.00000
     94      -5.7899      1.00000
     95      -5.7610      1.00000
     96      -5.4370      1.00000
     97      -5.3333      1.00000
     98      -5.2349      1.00000
     99      -5.2231      1.00000
    100      -5.1891      1.00000
    101      -4.6951      1.00000
    102      -4.4253      1.00000
    103      -4.2144      1.00000
    104      -3.8383      1.00000
    105      -3.5336      1.00000
    106      -3.2769      1.00000
    107      -2.5358      0.00000
    108      -1.4633      0.00000
    109      -1.2700      0.00000
    110      -1.2071      0.00000
    111      -1.1760      0.00000
    112      -0.7238      0.00000
    113      -0.5080      0.00000
    114      -0.4157      0.00000
    115      -0.3422      0.00000
    116      -0.1503      0.00000
    117      -0.0085      0.00000
    118       0.1907      0.00000
    119       0.5585      0.00000
    120       0.6070      0.00000
    121       0.7815      0.00000
    122       0.8912      0.00000
    123       1.1157      0.00000
    124       1.4706      0.00000
    125       1.6200      0.00000
    126       1.8197      0.00000
    127       1.9068      0.00000
    128       2.0823      0.00000
    129       2.0946      0.00000
    130       2.1621      0.00000
    131       2.1916      0.00000
    132       2.2742      0.00000
    133       2.3401      0.00000
    134       2.4697      0.00000
    135       2.5736      0.00000
    136       2.6386      0.00000
    137       2.8330      0.00000
    138       2.8627      0.00000
    139       2.8792      0.00000
    140       3.0080      0.00000
    141       3.0133      0.00000
    142       3.1193      0.00000
    143       3.1889      0.00000
    144       3.2258      0.00000
    145       3.2622      0.00000
    146       3.2660      0.00000
    147       3.2917      0.00000
    148       3.3310      0.00000
    149       3.3980      0.00000
    150       3.4167      0.00000
    151       3.5233      0.00000
    152       3.6041      0.00000
    153       3.7162      0.00000
    154       3.7308      0.00000
    155       3.7468      0.00000
    156       3.8783      0.00000
    157       3.9276      0.00000
    158       3.9858      0.00000
    159       4.0967      0.00000
    160       4.1933      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3210      1.00000
      2     -21.9680      1.00000
      3     -21.8957      1.00000
      4     -21.3886      1.00000
      5     -21.3521      1.00000
      6     -20.8427      1.00000
      7     -20.7762      1.00000
      8     -20.6280      1.00000
      9     -20.0940      1.00000
     10     -20.0651      1.00000
     11     -19.7220      1.00000
     12     -19.6928      1.00000
     13     -19.0141      1.00000
     14     -18.9825      1.00000
     15     -18.6550      1.00000
     16     -18.6220      1.00000
     17     -18.4629      1.00000
     18     -17.6643      1.00000
     19     -17.6479      1.00000
     20     -17.6131      1.00000
     21     -17.5801      1.00000
     22     -17.1424      1.00000
     23     -17.1012      1.00000
     24     -16.9722      1.00000
     25     -16.0143      1.00000
     26     -15.9276      1.00000
     27     -15.6022      1.00000
     28     -15.5785      1.00000
     29     -15.2831      1.00000
     30     -14.8810      1.00000
     31     -14.8336      1.00000
     32     -14.5768      1.00000
     33     -14.5389      1.00000
     34     -14.1707      1.00000
     35     -14.1652      1.00000
     36     -13.1665      1.00000
     37     -13.0982      1.00000
     38     -13.0252      1.00000
     39     -13.0202      1.00000
     40     -12.7209      1.00000
     41     -12.6962      1.00000
     42     -12.3460      1.00000
     43     -12.3183      1.00000
     44     -11.6388      1.00000
     45     -11.6283      1.00000
     46     -11.5745      1.00000
     47     -10.9481      1.00000
     48     -10.9263      1.00000
     49     -10.6726      1.00000
     50     -10.5919      1.00000
     51     -10.5768      1.00000
     52     -10.5101      1.00000
     53     -10.4916      1.00000
     54     -10.4425      1.00000
     55     -10.3558      1.00000
     56     -10.1071      1.00000
     57      -9.9008      1.00000
     58      -9.6083      1.00000
     59      -9.5508      1.00000
     60      -9.4573      1.00000
     61      -9.4307      1.00000
     62      -9.4091      1.00000
     63      -9.3796      1.00000
     64      -9.3732      1.00000
     65      -9.2710      1.00000
     66      -9.1720      1.00000
     67      -9.1481      1.00000
     68      -9.1207      1.00000
     69      -8.8763      1.00000
     70      -8.8628      1.00000
     71      -8.8055      1.00000
     72      -8.5990      1.00000
     73      -8.5300      1.00000
     74      -8.2010      1.00000
     75      -8.1742      1.00000
     76      -8.0795      1.00000
     77      -7.8595      1.00000
     78      -7.8389      1.00000
     79      -7.8261      1.00000
     80      -7.7155      1.00000
     81      -7.6974      1.00000
     82      -7.6012      1.00000
     83      -7.5337      1.00000
     84      -7.3543      1.00000
     85      -7.1714      1.00000
     86      -6.9138      1.00000
     87      -6.8979      1.00000
     88      -6.5978      1.00000
     89      -6.5532      1.00000
     90      -6.4073      1.00000
     91      -6.3070      1.00000
     92      -6.2520      1.00000
     93      -6.2081      1.00000
     94      -6.0063      1.00000
     95      -5.5363      1.00000
     96      -5.4661      1.00000
     97      -5.3173      1.00000
     98      -5.2116      1.00000
     99      -5.0520      1.00000
    100      -4.7290      1.00000
    101      -4.6742      1.00000
    102      -4.4280      1.00000
    103      -4.1997      1.00000
    104      -3.8471      1.00000
    105      -3.6391      1.00000
    106      -3.4205      1.00000
    107      -2.2962      0.00000
    108      -1.5142      0.00000
    109      -1.2739      0.00000
    110      -1.2665      0.00000
    111      -1.0395      0.00000
    112      -0.9788      0.00000
    113      -0.8721      0.00000
    114      -0.8036      0.00000
    115      -0.2647      0.00000
    116       0.1982      0.00000
    117       0.2342      0.00000
    118       0.3556      0.00000
    119       0.6752      0.00000
    120       0.8900      0.00000
    121       0.9181      0.00000
    122       1.0279      0.00000
    123       1.1528      0.00000
    124       1.4942      0.00000
    125       1.5334      0.00000
    126       1.6963      0.00000
    127       1.7724      0.00000
    128       1.8266      0.00000
    129       1.9439      0.00000
    130       1.9685      0.00000
    131       2.1801      0.00000
    132       2.2338      0.00000
    133       2.3892      0.00000
    134       2.4766      0.00000
    135       2.5386      0.00000
    136       2.5917      0.00000
    137       2.6116      0.00000
    138       2.6785      0.00000
    139       2.7476      0.00000
    140       2.8372      0.00000
    141       3.0153      0.00000
    142       3.0629      0.00000
    143       3.1779      0.00000
    144       3.2419      0.00000
    145       3.2561      0.00000
    146       3.2923      0.00000
    147       3.3446      0.00000
    148       3.4284      0.00000
    149       3.4937      0.00000
    150       3.6728      0.00000
    151       3.7096      0.00000
    152       3.7169      0.00000
    153       3.8125      0.00000
    154       3.8815      0.00000
    155       3.9133      0.00000
    156       3.9650      0.00000
    157       3.9958      0.00000
    158       4.0437      0.00000
    159       4.0480      0.00000
    160       4.0908      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3931      1.00000
      2     -21.8341      1.00000
      3     -21.6455      1.00000
      4     -21.6103      1.00000
      5     -21.2827      1.00000
      6     -21.2354      1.00000
      7     -21.0591      1.00000
      8     -20.1746      1.00000
      9     -20.1282      1.00000
     10     -19.6223      1.00000
     11     -19.5967      1.00000
     12     -19.4171      1.00000
     13     -19.0978      1.00000
     14     -19.0602      1.00000
     15     -19.0563      1.00000
     16     -19.0416      1.00000
     17     -18.3714      1.00000
     18     -18.3521      1.00000
     19     -18.0168      1.00000
     20     -17.0735      1.00000
     21     -17.0239      1.00000
     22     -16.9537      1.00000
     23     -16.9405      1.00000
     24     -16.4828      1.00000
     25     -16.4704      1.00000
     26     -15.6155      1.00000
     27     -15.6150      1.00000
     28     -15.2518      1.00000
     29     -15.2403      1.00000
     30     -15.1915      1.00000
     31     -15.1025      1.00000
     32     -15.0699      1.00000
     33     -14.7045      1.00000
     34     -14.7040      1.00000
     35     -13.7309      1.00000
     36     -13.7304      1.00000
     37     -13.2337      1.00000
     38     -12.6261      1.00000
     39     -12.5823      1.00000
     40     -12.4557      1.00000
     41     -12.4506      1.00000
     42     -12.1089      1.00000
     43     -12.1046      1.00000
     44     -11.7320      1.00000
     45     -11.6933      1.00000
     46     -11.2511      1.00000
     47     -11.2311      1.00000
     48     -11.0173      1.00000
     49     -11.0057      1.00000
     50     -10.9348      1.00000
     51     -10.9063      1.00000
     52     -10.6407      1.00000
     53     -10.1741      1.00000
     54     -10.1510      1.00000
     55     -10.0828      1.00000
     56      -9.9951      1.00000
     57      -9.6981      1.00000
     58      -9.6919      1.00000
     59      -9.6734      1.00000
     60      -9.5987      1.00000
     61      -9.5747      1.00000
     62      -9.5578      1.00000
     63      -9.3129      1.00000
     64      -9.2989      1.00000
     65      -9.2854      1.00000
     66      -9.2565      1.00000
     67      -9.1250      1.00000
     68      -9.1123      1.00000
     69      -9.1106      1.00000
     70      -8.9419      1.00000
     71      -8.8885      1.00000
     72      -8.6129      1.00000
     73      -8.5936      1.00000
     74      -8.2750      1.00000
     75      -8.0985      1.00000
     76      -7.8798      1.00000
     77      -7.8461      1.00000
     78      -7.7938      1.00000
     79      -7.7650      1.00000
     80      -7.7557      1.00000
     81      -7.4515      1.00000
     82      -7.3347      1.00000
     83      -7.3235      1.00000
     84      -7.2715      1.00000
     85      -7.1670      1.00000
     86      -7.0271      1.00000
     87      -6.9884      1.00000
     88      -6.7226      1.00000
     89      -6.6947      1.00000
     90      -6.6337      1.00000
     91      -6.5931      1.00000
     92      -6.1150      1.00000
     93      -6.0669      1.00000
     94      -6.0484      1.00000
     95      -6.0370      1.00000
     96      -5.7486      1.00000
     97      -4.9792      1.00000
     98      -4.8440      1.00000
     99      -4.7110      1.00000
    100      -4.6749      1.00000
    101      -4.4880      1.00000
    102      -4.3578      1.00000
    103      -4.1173      1.00000
    104      -4.0601      1.00000
    105      -3.7591      1.00000
    106      -3.4698      1.00000
    107      -1.9543      0.00000
    108      -1.7752      0.00000
    109      -1.4841      0.00000
    110      -1.3609      0.00000
    111      -1.3392      0.00000
    112      -1.2958      0.00000
    113      -0.6793      0.00000
    114      -0.4756      0.00000
    115      -0.2418      0.00000
    116       0.0479      0.00000
    117       0.5700      0.00000
    118       0.6863      0.00000
    119       0.7639      0.00000
    120       1.0184      0.00000
    121       1.0928      0.00000
    122       1.1706      0.00000
    123       1.2424      0.00000
    124       1.3242      0.00000
    125       1.4118      0.00000
    126       1.5709      0.00000
    127       1.7602      0.00000
    128       1.8299      0.00000
    129       1.8556      0.00000
    130       1.8765      0.00000
    131       2.0391      0.00000
    132       2.1968      0.00000
    133       2.2039      0.00000
    134       2.2577      0.00000
    135       2.4634      0.00000
    136       2.5957      0.00000
    137       2.6492      0.00000
    138       2.7181      0.00000
    139       2.7852      0.00000
    140       2.8297      0.00000
    141       2.8372      0.00000
    142       2.8823      0.00000
    143       2.9494      0.00000
    144       3.0483      0.00000
    145       3.2919      0.00000
    146       3.3486      0.00000
    147       3.4058      0.00000
    148       3.4197      0.00000
    149       3.4200      0.00000
    150       3.5892      0.00000
    151       3.6531      0.00000
    152       3.6644      0.00000
    153       3.7165      0.00000
    154       3.8811      0.00000
    155       3.9009      0.00000
    156       3.9411      0.00000
    157       4.0829      0.00000
    158       4.1865      0.00000
    159       4.2449      0.00000
    160       4.2666      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2133      1.00000
      2     -22.1222      1.00000
      3     -21.9604      1.00000
      4     -21.4089      1.00000
      5     -21.0495      1.00000
      6     -21.0208      1.00000
      7     -20.4998      1.00000
      8     -20.4695      1.00000
      9     -20.2882      1.00000
     10     -20.2863      1.00000
     11     -19.9618      1.00000
     12     -19.8986      1.00000
     13     -18.8894      1.00000
     14     -18.8217      1.00000
     15     -18.3389      1.00000
     16     -18.3200      1.00000
     17     -18.1528      1.00000
     18     -18.1454      1.00000
     19     -17.8174      1.00000
     20     -17.7994      1.00000
     21     -17.2639      1.00000
     22     -17.2439      1.00000
     23     -17.1587      1.00000
     24     -17.1430      1.00000
     25     -16.1180      1.00000
     26     -15.8861      1.00000
     27     -15.8748      1.00000
     28     -15.8487      1.00000
     29     -15.2313      1.00000
     30     -14.5585      1.00000
     31     -14.5397      1.00000
     32     -14.2771      1.00000
     33     -13.9749      1.00000
     34     -13.9513      1.00000
     35     -13.8277      1.00000
     36     -13.8053      1.00000
     37     -13.6084      1.00000
     38     -13.5830      1.00000
     39     -13.3726      1.00000
     40     -12.6408      1.00000
     41     -12.1745      1.00000
     42     -12.1480      1.00000
     43     -12.0749      1.00000
     44     -12.0280      1.00000
     45     -11.6629      1.00000
     46     -11.6578      1.00000
     47     -11.1446      1.00000
     48     -11.1337      1.00000
     49     -10.8014      1.00000
     50     -10.7452      1.00000
     51     -10.5396      1.00000
     52     -10.2076      1.00000
     53     -10.2011      1.00000
     54     -10.1731      1.00000
     55     -10.0239      1.00000
     56      -9.9970      1.00000
     57      -9.9908      1.00000
     58      -9.8052      1.00000
     59      -9.7951      1.00000
     60      -9.7690      1.00000
     61      -9.7622      1.00000
     62      -9.4676      1.00000
     63      -9.4215      1.00000
     64      -9.0860      1.00000
     65      -9.0465      1.00000
     66      -9.0284      1.00000
     67      -8.9766      1.00000
     68      -8.9010      1.00000
     69      -8.7074      1.00000
     70      -8.6980      1.00000
     71      -8.5725      1.00000
     72      -8.5608      1.00000
     73      -8.4815      1.00000
     74      -8.4629      1.00000
     75      -8.4595      1.00000
     76      -8.3117      1.00000
     77      -8.0975      1.00000
     78      -8.0916      1.00000
     79      -7.9275      1.00000
     80      -7.8352      1.00000
     81      -7.6054      1.00000
     82      -7.5460      1.00000
     83      -7.4477      1.00000
     84      -7.3198      1.00000
     85      -6.9923      1.00000
     86      -6.9181      1.00000
     87      -6.8813      1.00000
     88      -6.5374      1.00000
     89      -6.5217      1.00000
     90      -6.4893      1.00000
     91      -6.4258      1.00000
     92      -5.9293      1.00000
     93      -5.9071      1.00000
     94      -5.7918      1.00000
     95      -5.7786      1.00000
     96      -5.3718      1.00000
     97      -5.3662      1.00000
     98      -5.2210      1.00000
     99      -5.2192      1.00000
    100      -5.2032      1.00000
    101      -4.7263      1.00000
    102      -4.4469      1.00000
    103      -4.1959      1.00000
    104      -3.8246      1.00000
    105      -3.5702      1.00000
    106      -3.2268      1.00000
    107      -2.5651      0.00000
    108      -1.4682      0.00000
    109      -1.2677      0.00000
    110      -1.1895      0.00000
    111      -1.1894      0.00000
    112      -0.6489      0.00000
    113      -0.5551      0.00000
    114      -0.4196      0.00000
    115      -0.3539      0.00000
    116      -0.0808      0.00000
    117      -0.0655      0.00000
    118       0.1236      0.00000
    119       0.5876      0.00000
    120       0.6204      0.00000
    121       0.8395      0.00000
    122       0.9676      0.00000
    123       0.9902      0.00000
    124       1.4809      0.00000
    125       1.6672      0.00000
    126       1.7285      0.00000
    127       1.8332      0.00000
    128       2.0849      0.00000
    129       2.1573      0.00000
    130       2.1846      0.00000
    131       2.2030      0.00000
    132       2.2537      0.00000
    133       2.3506      0.00000
    134       2.4769      0.00000
    135       2.5201      0.00000
    136       2.6417      0.00000
    137       2.8510      0.00000
    138       2.8532      0.00000
    139       2.9361      0.00000
    140       2.9973      0.00000
    141       3.0240      0.00000
    142       3.1160      0.00000
    143       3.2023      0.00000
    144       3.2272      0.00000
    145       3.2398      0.00000
    146       3.2683      0.00000
    147       3.2894      0.00000
    148       3.3389      0.00000
    149       3.3886      0.00000
    150       3.5230      0.00000
    151       3.5446      0.00000
    152       3.6251      0.00000
    153       3.6408      0.00000
    154       3.7118      0.00000
    155       3.7303      0.00000
    156       3.8774      0.00000
    157       3.9478      0.00000
    158       4.0122      0.00000
    159       4.0433      0.00000
    160       4.1536      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2867      1.00000
      2     -22.0819      1.00000
      3     -21.7244      1.00000
      4     -21.6849      1.00000
      5     -20.9865      1.00000
      6     -20.9384      1.00000
      7     -20.6148      1.00000
      8     -20.5813      1.00000
      9     -20.5687      1.00000
     10     -20.0340      1.00000
     11     -19.5187      1.00000
     12     -19.4892      1.00000
     13     -19.3166      1.00000
     14     -19.3041      1.00000
     15     -18.4515      1.00000
     16     -18.4080      1.00000
     17     -17.9319      1.00000
     18     -17.9120      1.00000
     19     -17.7673      1.00000
     20     -17.7220      1.00000
     21     -17.4458      1.00000
     22     -17.4278      1.00000
     23     -17.3372      1.00000
     24     -16.4794      1.00000
     25     -16.4685      1.00000
     26     -15.9714      1.00000
     27     -15.4175      1.00000
     28     -15.4167      1.00000
     29     -15.1027      1.00000
     30     -15.0993      1.00000
     31     -14.8539      1.00000
     32     -14.8422      1.00000
     33     -14.2986      1.00000
     34     -14.2550      1.00000
     35     -13.4452      1.00000
     36     -13.4015      1.00000
     37     -13.1800      1.00000
     38     -13.1792      1.00000
     39     -12.9873      1.00000
     40     -12.9786      1.00000
     41     -12.6150      1.00000
     42     -12.6136      1.00000
     43     -12.1947      1.00000
     44     -11.5895      1.00000
     45     -11.5483      1.00000
     46     -11.3224      1.00000
     47     -11.2921      1.00000
     48     -11.1395      1.00000
     49     -10.6988      1.00000
     50     -10.6706      1.00000
     51     -10.5514      1.00000
     52     -10.3215      1.00000
     53     -10.3137      1.00000
     54     -10.1788      1.00000
     55     -10.1293      1.00000
     56     -10.1150      1.00000
     57      -9.8144      1.00000
     58      -9.7535      1.00000
     59      -9.7521      1.00000
     60      -9.7018      1.00000
     61      -9.6981      1.00000
     62      -9.6501      1.00000
     63      -9.3531      1.00000
     64      -9.3513      1.00000
     65      -9.3315      1.00000
     66      -9.0314      1.00000
     67      -8.9618      1.00000
     68      -8.9582      1.00000
     69      -8.7783      1.00000
     70      -8.6047      1.00000
     71      -8.5919      1.00000
     72      -8.4259      1.00000
     73      -8.3525      1.00000
     74      -8.3275      1.00000
     75      -8.3027      1.00000
     76      -8.2714      1.00000
     77      -8.2609      1.00000
     78      -8.2493      1.00000
     79      -7.9243      1.00000
     80      -7.7373      1.00000
     81      -7.3792      1.00000
     82      -7.3503      1.00000
     83      -7.3279      1.00000
     84      -7.2150      1.00000
     85      -7.1655      1.00000
     86      -7.0696      1.00000
     87      -6.9658      1.00000
     88      -6.9095      1.00000
     89      -6.6254      1.00000
     90      -6.5534      1.00000
     91      -6.2828      1.00000
     92      -5.9988      1.00000
     93      -5.9611      1.00000
     94      -5.6793      1.00000
     95      -5.6532      1.00000
     96      -5.3898      1.00000
     97      -5.3161      1.00000
     98      -5.2963      1.00000
     99      -5.2152      1.00000
    100      -5.2040      1.00000
    101      -4.5159      1.00000
    102      -4.3443      1.00000
    103      -4.0025      1.00000
    104      -3.8908      1.00000
    105      -3.7973      1.00000
    106      -3.4478      1.00000
    107      -2.0374      0.00000
    108      -1.8668      0.00000
    109      -1.2230      0.00000
    110      -1.1844      0.00000
    111      -1.0418      0.00000
    112      -0.7779      0.00000
    113      -0.6803      0.00000
    114      -0.6661      0.00000
    115      -0.6127      0.00000
    116      -0.1042      0.00000
    117       0.2191      0.00000
    118       0.2369      0.00000
    119       0.7520      0.00000
    120       0.9683      0.00000
    121       1.0670      0.00000
    122       1.2324      0.00000
    123       1.2433      0.00000
    124       1.3270      0.00000
    125       1.5636      0.00000
    126       1.5786      0.00000
    127       1.6750      0.00000
    128       1.7857      0.00000
    129       1.9222      0.00000
    130       1.9276      0.00000
    131       2.0949      0.00000
    132       2.3034      0.00000
    133       2.3369      0.00000
    134       2.3943      0.00000
    135       2.5176      0.00000
    136       2.6128      0.00000
    137       2.7777      0.00000
    138       2.8235      0.00000
    139       2.8399      0.00000
    140       2.8579      0.00000
    141       3.0372      0.00000
    142       3.0802      0.00000
    143       3.1237      0.00000
    144       3.2007      0.00000
    145       3.3572      0.00000
    146       3.3981      0.00000
    147       3.4845      0.00000
    148       3.5287      0.00000
    149       3.5773      0.00000
    150       3.6022      0.00000
    151       3.6258      0.00000
    152       3.7201      0.00000
    153       3.7230      0.00000
    154       3.7683      0.00000
    155       3.8263      0.00000
    156       3.8631      0.00000
    157       3.9949      0.00000
    158       4.0658      0.00000
    159       4.1484      0.00000
    160       4.1804      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0425   -7.3901    4.1988   -1.2765   -0.2389   17.5956    0.1469   -0.5321    0.6338   -0.4650
x    -3.0921   -0.0374   -0.0633    0.0617   -0.0092   -2.9776   -0.0111   -0.0070    0.0049    0.0016
x    -0.0963    0.0017   -0.0013    0.0004    0.0003   -0.0237   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0425    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0945   -0.0087    0.0375    0.0377
y    -0.0462   -3.2464   -0.5382   -0.1638   -1.1791   -0.6055
z   204.0425    1.1243   -0.2801    0.0408    0.0090    0.0619    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0777    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1520
z    -0.2837    0.1864   -0.0388    0.0472   -0.1055    0.0013
 total charge-density along one line
x   212.0000  -10.2199    6.1466   -2.0864   -0.4747   19.5142   -0.9967    0.4751   -0.0455   -0.1259
x    -2.6447   -0.0277   -0.0611    0.0846   -0.0533   -2.2241   -0.0250   -0.0026    0.0052    0.0021
x    -0.0894    0.0059   -0.0050    0.0027   -0.0007   -0.0355   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2200    6.1466   -2.0864   -0.4747   19.5142   -0.9967    0.4751   -0.0455   -0.1259
y    -2.6447   -0.0277   -0.0611    0.0846   -0.0533   -2.2241   -0.0250   -0.0026    0.0052    0.0021
y    -0.0894    0.0059   -0.0050    0.0027   -0.0007   -0.0355   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4924  189.2900 -170.3616  153.6365 -139.4149  125.4070 -110.0935   93.9487  -78.3368
z    64.1303  -51.4817   40.4194  -31.2144   24.1163  -18.9319   15.0192  -11.7095    8.7088   -6.1164
z     4.1268   -2.7549    1.8180   -1.1084    0.5379   -0.1253   -0.1130    0.2295   -0.3104    0.4005
z    -0.4769    0.4938   -0.4408    0.3557   -0.2866    0.2514   -0.2335    0.2088   -0.1711    0.1319
z    -0.1038    0.0880   -0.0768    0.0637   -0.0491    0.0374   -0.0309    0.0276   -0.0243    0.0198
z    -0.0152    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.842   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.007   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.104   0.000   0.030   0.007   0.000   0.220
  0.000   0.130   0.000 -11.158   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.837  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.220   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.842   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.007   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.104   0.000   0.030   0.007   0.000   0.220
  0.000   0.130   0.000 -11.158   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.837  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.220   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.312   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.303   0.000   0.029  -0.191  -0.031   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.312   0.000   0.630   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.312   0.000   0.000   0.158   0.000  -0.192   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.303   0.000   0.037  -0.131   0.000   0.415   0.000   0.077   0.586  -0.239   0.000   0.058   0.000   0.000
  0.000  -0.312   0.000   0.630   0.000   0.000  -0.192   0.000   0.379   0.000   0.000   0.000  -0.051   0.000   0.069   0.006
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.041   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.586   0.000   0.164   1.369  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.031   0.000   0.010   0.082   0.000  -0.239   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.264   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.645   0.262   8.029   8.936
  2        0.521   0.027   0.000   0.549
  3        0.521   0.027   0.000   0.549
  4        0.864   1.783   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.770   0.000   2.634
 23        0.864   1.782   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.645
 26        0.864   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.645
 33        0.864   1.782   0.000   2.645
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.645
 36        0.864   1.770   0.000   2.634
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.647
 40        0.863   1.785   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.867  89.424   8.029 142.321
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time   89.63: CPU time   45.17
    FORLOC:  VPU time    1.09: CPU time    1.09
    FORNL :  VPU time  361.75: CPU time  181.18
    STRESS:  VPU time 1088.10: CPU time  546.62
    FORCOR:  VPU time    7.40: CPU time    7.41
    FORHAR:  VPU time    1.98: CPU time    1.97
    MIXING:  VPU time    0.15: CPU time    0.15
 d Force = 0.8007196E-04[-0.208E-03, 0.368E-03]  d Energy = 0.2594501E-03-0.179E-03
 d Force = 0.1339319E+01[ 0.134E+01, 0.134E+01]  d Ewald  =-0.3676973E+02 0.381E+02


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726065 eV

  energy  without entropy=     -471.726065  energy(sigma->0) =     -471.726065
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40835.47  40790.98 -47534.12    -38.53      0.00      0.00
  Hartree  40260.69  40241.63 -39519.33    -16.51      0.00      0.00
  E(xc)     -779.43   -779.71   -807.36     -0.24      0.00      0.00
  Local   -83380.38 -83325.64  84368.33     47.40      0.00      0.00
  n-local   -216.85   -215.60   -203.37      0.82      0.00      0.00
  augment     20.06     22.05     17.81      1.72      0.00      0.00
  Kinetic   3162.85   3175.46   3584.02      2.57      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.09     -0.63     -0.08     -0.62      0.00      0.00
  in kB        0.05     -0.38     -0.05     -0.38      0.00      0.00
  external pressure =       -0.13 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.344045866  0.004352366  0.000000000     0.080994242  0.046724046  0.000000000
    -6.168260315 10.692429569  0.000000000    -0.000032969  0.093505095  0.000000000
     0.000000000  0.000000000 19.983093262     0.000000000  0.000000000  0.050042303

  length of vectors
    12.344046633 12.344046557 19.983093262     0.093505100  0.093505101  0.050042303


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.384E-05 -.495E-04 -.951E+03   0.451E-05 -.279E-04 0.960E+03   -.169E-20 0.224E-23 -.869E+01   -.391E-06 0.226E-06 0.776E-02
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.155E+01 -.892E+00 -.253E+01   -.283E-03 0.163E-03 0.182E-02
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.155E+01 0.892E+00 -.253E+01   0.283E-03 -.163E-03 0.182E-02
   -.196E+01 0.113E+01 0.163E+02   0.196E+01 -.113E+01 -.163E+02   0.184E-02 -.106E-02 -.239E-01   0.103E-02 -.595E-03 -.485E-03
   0.622E+01 0.685E+01 0.194E+02   -.621E+01 -.688E+01 -.193E+02   0.563E-02 0.158E-01 -.272E-01   0.326E-03 -.617E-03 -.588E-03
   0.113E+02 0.504E+01 0.161E+02   -.113E+02 -.504E+01 -.161E+02   0.248E-01 0.665E-02 -.482E-01   0.743E-04 -.106E-02 -.950E-03
   0.480E+01 -.922E+00 0.126E+02   -.481E+01 0.927E+00 -.125E+02   0.194E-01 -.103E-01 -.182E-01   0.782E-03 0.390E-04 -.109E-02
   -.300E+01 -.258E+01 0.126E+02   0.301E+01 0.258E+01 -.126E+02   0.118E-02 0.113E-02 -.128E-01   0.135E-02 -.265E-03 -.747E-03
   0.733E+00 0.389E+01 0.126E+02   -.730E+00 -.389E+01 -.126E+02   -.392E-03 -.158E-02 -.128E-01   0.901E-03 -.105E-02 -.750E-03
   0.246E+01 0.188E+02 0.240E+02   -.245E+01 -.189E+02 -.240E+02   0.390E-02 0.104E+00 -.478E-01   -.804E-04 -.176E-02 -.103E-02
   0.228E+02 0.213E+02 0.422E+02   -.229E+02 -.216E+02 -.422E+02   0.781E-01 0.261E+00 -.605E-01   0.601E-03 -.117E-02 -.178E-02
   0.269E+02 -.345E+01 0.257E+02   -.271E+02 0.356E+01 -.256E+02   0.275E+00 -.112E+00 -.324E-01   -.899E-04 0.831E-03 -.185E-02
   0.922E+01 -.532E+01 0.136E+02   -.925E+01 0.534E+01 -.136E+02   0.460E-01 -.266E-01 -.112E-01   0.824E-03 -.482E-03 -.961E-03
   0.320E+01 -.369E+01 0.126E+02   -.321E+01 0.370E+01 -.125E+02   0.186E-01 -.117E-01 -.182E-01   0.355E-03 -.701E-03 -.110E-02
   -.583E+01 0.136E+02 0.162E+02   0.583E+01 -.137E+02 -.161E+02   0.181E-02 0.681E-01 -.515E-01   0.172E-02 -.146E-03 -.119E-02
   -.118E+02 0.363E+02 0.478E+02   0.118E+02 -.369E+02 -.481E+02   -.272E-01 0.610E+00 0.294E+00   0.189E-02 -.114E-02 -.269E-02
   0.237E+02 -.137E+02 0.941E+02   -.244E+02 0.141E+02 -.962E+02   0.643E+00 -.371E+00 0.205E+01   -.125E-03 0.696E-04 -.360E-02
   0.164E+02 -.216E+02 0.257E+02   -.167E+02 0.217E+02 -.256E+02   0.235E+00 -.182E+00 -.324E-01   -.767E-03 -.345E-03 -.186E-02
   0.126E+01 -.123E+02 0.161E+02   -.127E+01 0.123E+02 -.161E+02   0.666E-02 -.248E-01 -.482E-01   0.960E-03 0.466E-03 -.955E-03
   -.408E+01 0.189E+01 0.116E+02   0.408E+01 -.190E+01 -.116E+02   0.424E-02 0.664E-02 -.440E-01   0.911E-03 -.427E-04 -.934E-03
   -.192E+02 0.111E+02 0.218E+02   0.193E+02 -.111E+02 -.218E+02   -.447E-01 0.258E-01 -.428E-01   0.126E-02 -.722E-03 -.156E-02
   -.373E+02 -.793E+01 0.478E+02   0.378E+02 0.821E+01 -.481E+02   -.542E+00 -.282E+00 0.294E+00   0.193E-02 -.107E-02 -.269E-02
   -.707E+01 -.304E+02 0.422E+02   0.726E+01 0.306E+02 -.422E+02   -.187E+00 -.198E+00 -.605E-01   0.132E-02 0.615E-04 -.178E-02
   -.283E+01 -.881E+01 0.194E+02   0.286E+01 0.882E+01 -.193E+02   -.108E-01 -.128E-01 -.272E-01   0.699E-03 0.247E-04 -.588E-03
   0.147E+01 -.846E+00 0.135E+02   -.146E+01 0.846E+00 -.134E+02   0.217E-02 -.125E-02 -.177E-01   0.102E-02 -.588E-03 -.608E-03
   -.367E+01 0.259E+01 0.116E+02   0.369E+01 -.258E+01 -.116E+02   -.363E-02 -.699E-02 -.440E-01   0.494E-03 -.763E-03 -.930E-03
   -.147E+02 -.176E+01 0.162E+02   0.148E+02 0.180E+01 -.161E+02   -.580E-01 -.356E-01 -.515E-01   0.988E-03 -.142E-02 -.118E-02
   -.150E+02 -.115E+02 0.240E+02   0.151E+02 0.116E+02 -.240E+02   -.883E-01 -.555E-01 -.478E-01   0.149E-02 0.945E-03 -.103E-02
   0.283E+01 0.881E+01 0.194E+02   -.286E+01 -.882E+01 -.193E+02   0.108E-01 0.128E-01 -.272E-01   -.699E-03 -.247E-04 -.588E-03
   0.150E+02 0.115E+02 0.240E+02   -.151E+02 -.116E+02 -.240E+02   0.883E-01 0.555E-01 -.478E-01   -.149E-02 -.945E-03 -.103E-02
   0.147E+02 0.176E+01 0.162E+02   -.148E+02 -.180E+01 -.161E+02   0.580E-01 0.356E-01 -.515E-01   -.988E-03 0.142E-02 -.118E-02
   0.367E+01 -.259E+01 0.116E+02   -.369E+01 0.258E+01 -.116E+02   0.363E-02 0.699E-02 -.440E-01   -.494E-03 0.763E-03 -.930E-03
   -.147E+01 0.846E+00 0.135E+02   0.146E+01 -.846E+00 -.134E+02   -.217E-02 0.125E-02 -.177E-01   -.102E-02 0.588E-03 -.608E-03
   -.126E+01 0.123E+02 0.161E+02   0.127E+01 -.123E+02 -.161E+02   -.666E-02 0.248E-01 -.482E-01   -.960E-03 -.466E-03 -.955E-03
   0.707E+01 0.304E+02 0.422E+02   -.726E+01 -.306E+02 -.422E+02   0.187E+00 0.198E+00 -.605E-01   -.132E-02 -.615E-04 -.178E-02
   0.373E+02 0.793E+01 0.478E+02   -.378E+02 -.821E+01 -.481E+02   0.542E+00 0.282E+00 0.294E+00   -.193E-02 0.107E-02 -.269E-02
   0.192E+02 -.111E+02 0.218E+02   -.193E+02 0.111E+02 -.218E+02   0.447E-01 -.258E-01 -.428E-01   -.126E-02 0.722E-03 -.156E-02
   0.408E+01 -.189E+01 0.116E+02   -.408E+01 0.190E+01 -.116E+02   -.424E-02 -.664E-02 -.440E-01   -.911E-03 0.426E-04 -.934E-03
   -.320E+01 0.369E+01 0.126E+02   0.321E+01 -.370E+01 -.125E+02   -.186E-01 0.117E-01 -.182E-01   -.355E-03 0.701E-03 -.110E-02
   -.164E+02 0.216E+02 0.257E+02   0.167E+02 -.217E+02 -.256E+02   -.235E+00 0.182E+00 -.324E-01   0.767E-03 0.345E-03 -.186E-02
   -.237E+02 0.137E+02 0.941E+02   0.244E+02 -.141E+02 -.962E+02   -.643E+00 0.371E+00 0.205E+01   0.125E-03 -.695E-04 -.360E-02
   0.118E+02 -.363E+02 0.478E+02   -.118E+02 0.369E+02 -.481E+02   0.272E-01 -.610E+00 0.294E+00   -.189E-02 0.114E-02 -.269E-02
   0.583E+01 -.136E+02 0.162E+02   -.583E+01 0.137E+02 -.161E+02   -.181E-02 -.681E-01 -.515E-01   -.172E-02 0.146E-03 -.119E-02
   -.733E+00 -.389E+01 0.126E+02   0.730E+00 0.389E+01 -.126E+02   0.392E-03 0.158E-02 -.128E-01   -.901E-03 0.105E-02 -.750E-03
   -.922E+01 0.532E+01 0.136E+02   0.925E+01 -.534E+01 -.136E+02   -.460E-01 0.266E-01 -.112E-01   -.824E-03 0.482E-03 -.961E-03
   -.269E+02 0.345E+01 0.257E+02   0.271E+02 -.356E+01 -.256E+02   -.275E+00 0.112E+00 -.324E-01   0.899E-04 -.831E-03 -.185E-02
   -.228E+02 -.213E+02 0.422E+02   0.229E+02 0.216E+02 -.422E+02   -.781E-01 -.261E+00 -.605E-01   -.601E-03 0.117E-02 -.178E-02
   -.246E+01 -.188E+02 0.240E+02   0.245E+01 0.189E+02 -.240E+02   -.390E-02 -.104E+00 -.478E-01   0.803E-04 0.176E-02 -.103E-02
   0.196E+01 -.113E+01 0.163E+02   -.196E+01 0.113E+01 -.163E+02   -.184E-02 0.106E-02 -.239E-01   -.103E-02 0.595E-03 -.485E-03
   0.300E+01 0.258E+01 0.126E+02   -.301E+01 -.258E+01 -.126E+02   -.118E-02 -.113E-02 -.128E-01   -.135E-02 0.265E-03 -.747E-03
   -.480E+01 0.922E+00 0.126E+02   0.481E+01 -.927E+00 -.125E+02   -.194E-01 0.103E-01 -.182E-01   -.782E-03 -.389E-04 -.109E-02
   -.113E+02 -.504E+01 0.161E+02   0.113E+02 0.504E+01 -.161E+02   -.248E-01 -.665E-02 -.482E-01   -.742E-04 0.106E-02 -.950E-03
   -.622E+01 -.685E+01 0.194E+02   0.621E+01 0.688E+01 -.193E+02   -.563E-02 -.158E-01 -.272E-01   -.326E-03 0.617E-03 -.588E-03
 -----------------------------------------------------------------------------------------------
   -.182E-02 0.298E-03 0.101E+02   0.142E-13 0.320E-12 -.355E-13   0.416E-16 0.101E-15 -.100E+02   -.395E-06 0.211E-06 -.545E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85374      6.06093     12.26187         0.000000      0.000000      0.001788
      1.07685      6.50947     13.52090        -0.003624      0.002092      0.018642
      2.63063      5.61239     13.52090         0.003624     -0.002092      0.018642
     -0.00002      0.00001      9.90915         0.008243     -0.004759      0.000292
     -1.23419      2.13720      9.90784         0.013195     -0.014120      0.000050
     -2.46867      4.27676      9.92786         0.009156     -0.001560     -0.000441
     -3.70158      6.41565      9.93565         0.009606     -0.005655     -0.001496
     -4.93449      8.55399      9.92610         0.005035     -0.001768     -0.000166
      2.46883      0.00075      9.92610         0.004049     -0.003476     -0.000166
      1.23419      2.13749      9.91741         0.014273      0.004025     -0.000468
     -0.00145      4.27182      9.93006        -0.002986     -0.001385     -0.002247
     -1.23652      6.41700      9.95201         0.014719     -0.007869     -0.000232
     -2.46628      8.55509      9.93734         0.010530     -0.006080      0.001133
      4.93714      0.00218      9.93565         0.009700     -0.005491     -0.001496
      3.70427      2.13845      9.93887         0.006512     -0.009857     -0.000928
      2.47069      4.27035      9.96670         0.008618     -0.008516     -0.003751
      1.23065      6.42067      9.97280         0.010374     -0.005990     -0.000752
      0.00024      8.55914      9.95201         0.014174     -0.008812     -0.000232
      7.40593      0.00390      9.92786         0.005929     -0.007149     -0.000441
      6.17233      2.14129      9.93418         0.008235     -0.005417     -0.000693
      4.93951      4.27936      9.94682         0.014638     -0.008451      0.000098
      3.71290      6.42193      9.96670         0.011684     -0.003205     -0.003751
      2.47556      8.56213      9.93006        -0.000293      0.003279     -0.002247
      9.87608      0.00460      9.90784         0.018826     -0.004367      0.000050
      8.64135      2.14211      9.91900         0.003980     -0.002298      0.000441
      7.40754      4.28075      9.93418         0.008809     -0.004423     -0.000693
      6.17597      6.41956      9.93887         0.011793     -0.000711     -0.000928
      4.94176      8.55919      9.91741         0.003651     -0.014373     -0.000468
     -0.00034      1.42483      9.90784        -0.018826      0.004367      0.000050
     -1.23428      3.56266      9.91741        -0.003651      0.014373     -0.000468
     -2.46849      5.70230      9.93887        -0.011793      0.000711     -0.000928
     -3.70007      7.84111      9.93418        -0.008809      0.004423     -0.000693
     -4.93387      9.97975      9.91900        -0.003980      0.002298      0.000441
      2.46981      1.42552      9.92786        -0.005929      0.007149     -0.000441
      1.23192      3.55973      9.93006         0.000293     -0.003279     -0.002247
     -0.00542      5.69993      9.96670        -0.011684      0.003205     -0.003751
     -1.23203      7.84250      9.94682        -0.014638      0.008451      0.000098
     -2.46485      9.98057      9.93418        -0.008235      0.005417     -0.000693
      4.93860      1.42725      9.93565        -0.009700      0.005491     -0.001496
      3.70724      3.56272      9.95201        -0.014174      0.008812     -0.000232
      2.47682      5.70119      9.97280        -0.010374      0.005990     -0.000752
      1.23679      7.85151      9.96670        -0.008618      0.008516     -0.003751
      0.00321      9.98341      9.93887        -0.006512      0.009857     -0.000928
      7.40691      1.42868      9.92610        -0.004049      0.003476     -0.000166
      6.17376      3.56677      9.93734        -0.010530      0.006080      0.001133
      4.94400      5.70486      9.95201        -0.014719      0.007869     -0.000232
      3.70893      7.85004      9.93006         0.002986      0.001385     -0.002247
      2.47329      9.98437      9.91741        -0.014273     -0.004025     -0.000468
      9.87575      1.42942      9.90915        -0.008243      0.004759      0.000292
      8.64197      3.56787      9.92610        -0.005035      0.001768     -0.000166
      7.40906      5.70621      9.93565        -0.009606      0.005655     -0.001496
      6.17615      7.84510      9.92786        -0.009156      0.001560     -0.000441
      4.94167      9.98466      9.90784        -0.013195      0.014120      0.000050
 -----------------------------------------------------------------------------------
    total drift:                               -0.001817      0.000298      0.012885


--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.000259  1 .order   -0.000294   -0.001650    0.001062
  (g-gl).g = 0.216E-02      g.g   = 0.197E-02  gl.gl    = 0.391E-01
 g(Force)  = 0.649E-03   g(Stress)= 0.132E-02 ortho     =-0.187E-03
 gamma     =   0.05520
 trial     =   0.84068
 opt step  =   0.51145  (harmonic =   0.51145) maximal distance =0.00070085
 next E    =  -471.726307   (d E  =  -0.00050)


--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.68: CPU time    1.68
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.18: CPU time    1.18
    ORTHCH:  VPU time  149.57: CPU time   74.87
     LOOP+:  VPU time 7681.40: CPU time 3924.77


----------------------------------------- Iteration    7(   1)  ---------------------------------------


    POTLOK:  VPU time    7.84: CPU time    7.70
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1482.76: CPU time  754.94
 BZINTS: Fermi energy: -3.193546;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   89.58: CPU time   45.11
    MIXING:  VPU time    0.13: CPU time    0.13
    ------------------------------------------
      LOOP:  VPU time 1580.66: CPU time  808.19

 eigenvalue-minimisations  :  6128
 total energy-change (2. order) :-0.4717264E+03  (-0.1009026E-02)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9561775 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.51556E-02    rms(broyden)= 0.51544E-02
  rms(prec ) = 0.56442E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34077.94611889
  -1/2 Hartree   DENC   =    -40969.32412704
  -V(xc)+E(xc)   XCENC  =       726.56527492
  PAW double counting   =      4093.67000510    -4132.01929775
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.00421377
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72638605 eV

  energy without entropy =     -471.72638605  energy(sigma->0) =     -471.72638605


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    7(   2)  ---------------------------------------


    POTLOK:  VPU time    7.70: CPU time    7.70
    SETDIJ:  VPU time    0.29: CPU time    0.28
    EDDAV :  VPU time 1265.92: CPU time  646.45
 BZINTS: Fermi energy: -3.192266;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time   -0.01: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1273.94: CPU time  654.47

 eigenvalue-minimisations  :  4936
 total energy-change (2. order) : 0.5916074E-04  (-0.2265833E-04)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9561775 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34077.94611889
  -1/2 Hartree   DENC   =    -40968.97405817
  -V(xc)+E(xc)   XCENC  =       726.55103562
  PAW double counting   =      4093.19557350    -4131.54190712
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.34294321
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72632689 eV

  energy without entropy =     -471.72632689  energy(sigma->0) =     -471.72632689


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2199       2 -39.5377       3 -39.5378       4 -58.3123       5 -58.3163
       6 -58.3189       7 -58.3133       8 -58.3137       9 -58.3136      10 -58.3203
      11 -58.3866      12 -58.3502      13 -58.3215      14 -58.3133      15 -58.3232
      16 -58.5420      17 -58.7288      18 -58.3503      19 -58.3189      20 -58.3183
      21 -58.3563      22 -58.5420      23 -58.3866      24 -58.3164      25 -58.3216
      26 -58.3184      27 -58.3232      28 -58.3203      29 -58.3162      30 -58.3202
      31 -58.3231      32 -58.3183      33 -58.3215      34 -58.3188      35 -58.3865
      36 -58.5419      37 -58.3562      38 -58.3183      39 -58.3132      40 -58.3501
      41 -58.7287      42 -58.5420      43 -58.3231      44 -58.3135      45 -58.3214
      46 -58.3501      47 -58.3865      48 -58.3202      49 -58.3122      50 -58.3135
      51 -58.3132      52 -58.3189      53 -58.3162
 
 
 
 E-fermi :  -3.1923     XC(G=0):  -2.3638     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4224      1.00000
      2     -21.5997      1.00000
      3     -21.4774      1.00000
      4     -21.4687      1.00000
      5     -21.4368      1.00000
      6     -21.4361      1.00000
      7     -21.4258      1.00000
      8     -19.7042      1.00000
      9     -19.6488      1.00000
     10     -19.6263      1.00000
     11     -19.6144      1.00000
     12     -19.6095      1.00000
     13     -19.6083      1.00000
     14     -18.7867      1.00000
     15     -18.7509      1.00000
     16     -18.7318      1.00000
     17     -18.7224      1.00000
     18     -18.7143      1.00000
     19     -18.7094      1.00000
     20     -16.6329      1.00000
     21     -16.6063      1.00000
     22     -16.5820      1.00000
     23     -16.5789      1.00000
     24     -16.5515      1.00000
     25     -16.5500      1.00000
     26     -15.6098      1.00000
     27     -15.5992      1.00000
     28     -15.5960      1.00000
     29     -15.5620      1.00000
     30     -15.5600      1.00000
     31     -15.5570      1.00000
     32     -14.2563      1.00000
     33     -14.2477      1.00000
     34     -14.2383      1.00000
     35     -14.2333      1.00000
     36     -14.2193      1.00000
     37     -14.2156      1.00000
     38     -11.9031      1.00000
     39     -11.8766      1.00000
     40     -11.8659      1.00000
     41     -11.8636      1.00000
     42     -11.8429      1.00000
     43     -11.8421      1.00000
     44     -11.7673      1.00000
     45     -11.7662      1.00000
     46     -11.7315      1.00000
     47     -11.7255      1.00000
     48     -11.7233      1.00000
     49     -11.7178      1.00000
     50     -10.6742      1.00000
     51     -10.3852      1.00000
     52     -10.3810      1.00000
     53     -10.3741      1.00000
     54     -10.3645      1.00000
     55     -10.3528      1.00000
     56     -10.3503      1.00000
     57      -9.9027      1.00000
     58      -9.4480      1.00000
     59      -9.4031      1.00000
     60      -9.3598      1.00000
     61      -9.3591      1.00000
     62      -9.3512      1.00000
     63      -9.1386      1.00000
     64      -9.1218      1.00000
     65      -9.1181      1.00000
     66      -9.0829      1.00000
     67      -9.0679      1.00000
     68      -9.0678      1.00000
     69      -9.0669      1.00000
     70      -9.0637      1.00000
     71      -9.0612      1.00000
     72      -9.0375      1.00000
     73      -9.0260      1.00000
     74      -9.0231      1.00000
     75      -8.1297      1.00000
     76      -7.7477      1.00000
     77      -7.4676      1.00000
     78      -7.4630      1.00000
     79      -7.4527      1.00000
     80      -7.4321      1.00000
     81      -7.4209      1.00000
     82      -7.4044      1.00000
     83      -7.3113      1.00000
     84      -7.2687      1.00000
     85      -7.2552      1.00000
     86      -7.2467      1.00000
     87      -7.1485      1.00000
     88      -7.0486      1.00000
     89      -6.4446      1.00000
     90      -6.4147      1.00000
     91      -6.3991      1.00000
     92      -6.3614      1.00000
     93      -6.3510      1.00000
     94      -6.3389      1.00000
     95      -5.9590      1.00000
     96      -5.9544      1.00000
     97      -4.8072      1.00000
     98      -4.5444      1.00000
     99      -4.4804      1.00000
    100      -4.4746      1.00000
    101      -4.3810      1.00000
    102      -4.3806      1.00000
    103      -4.2675      1.00000
    104      -4.1890      1.00000
    105      -3.7398      1.00000
    106      -3.4802      1.00000
    107      -1.8630      0.00000
    108      -1.6696      0.00000
    109      -1.6241      0.00000
    110      -1.5917      0.00000
    111      -1.5755      0.00000
    112      -1.5750      0.00000
    113      -0.4287      0.00000
    114       0.1465      0.00000
    115       0.1906      0.00000
    116       0.2545      0.00000
    117       0.2681      0.00000
    118       0.2702      0.00000
    119       0.4781      0.00000
    120       0.5341      0.00000
    121       1.2339      0.00000
    122       1.2866      0.00000
    123       1.5120      0.00000
    124       1.7579      0.00000
    125       1.7600      0.00000
    126       1.7604      0.00000
    127       1.7993      0.00000
    128       1.8231      0.00000
    129       1.9569      0.00000
    130       1.9629      0.00000
    131       1.9726      0.00000
    132       1.9873      0.00000
    133       1.9950      0.00000
    134       2.0655      0.00000
    135       2.2257      0.00000
    136       2.3360      0.00000
    137       2.5750      0.00000
    138       2.5761      0.00000
    139       2.5982      0.00000
    140       2.6828      0.00000
    141       2.9186      0.00000
    142       3.0399      0.00000
    143       3.0598      0.00000
    144       3.0826      0.00000
    145       3.0942      0.00000
    146       3.0957      0.00000
    147       3.0995      0.00000
    148       3.2521      0.00000
    149       3.4346      0.00000
    150       3.4842      0.00000
    151       3.8143      0.00000
    152       3.9300      0.00000
    153       3.9313      0.00000
    154       3.9345      0.00000
    155       3.9461      0.00000
    156       3.9845      0.00000
    157       4.1668      0.00000
    158       4.2504      0.00000
    159       4.2526      0.00000
    160       4.2717      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3857      1.00000
      2     -21.8268      1.00000
      3     -21.6343      1.00000
      4     -21.6064      1.00000
      5     -21.2709      1.00000
      6     -21.2314      1.00000
      7     -21.0532      1.00000
      8     -20.1643      1.00000
      9     -20.1259      1.00000
     10     -19.6048      1.00000
     11     -19.5938      1.00000
     12     -19.4139      1.00000
     13     -19.0865      1.00000
     14     -19.0561      1.00000
     15     -19.0457      1.00000
     16     -19.0380      1.00000
     17     -18.3574      1.00000
     18     -18.3488      1.00000
     19     -18.0162      1.00000
     20     -17.0668      1.00000
     21     -17.0278      1.00000
     22     -16.9417      1.00000
     23     -16.9367      1.00000
     24     -16.4651      1.00000
     25     -16.4601      1.00000
     26     -15.6094      1.00000
     27     -15.6043      1.00000
     28     -15.2491      1.00000
     29     -15.2409      1.00000
     30     -15.1823      1.00000
     31     -15.0955      1.00000
     32     -15.0686      1.00000
     33     -14.6953      1.00000
     34     -14.6928      1.00000
     35     -13.7239      1.00000
     36     -13.7202      1.00000
     37     -13.2339      1.00000
     38     -12.6124      1.00000
     39     -12.5822      1.00000
     40     -12.4517      1.00000
     41     -12.4470      1.00000
     42     -12.1072      1.00000
     43     -12.1016      1.00000
     44     -11.7131      1.00000
     45     -11.6820      1.00000
     46     -11.2323      1.00000
     47     -11.2244      1.00000
     48     -11.0156      1.00000
     49     -11.0070      1.00000
     50     -10.9227      1.00000
     51     -10.9015      1.00000
     52     -10.6292      1.00000
     53     -10.1537      1.00000
     54     -10.1474      1.00000
     55     -10.0906      1.00000
     56      -9.9968      1.00000
     57      -9.6992      1.00000
     58      -9.6935      1.00000
     59      -9.6531      1.00000
     60      -9.5899      1.00000
     61      -9.5731      1.00000
     62      -9.5565      1.00000
     63      -9.3061      1.00000
     64      -9.3002      1.00000
     65      -9.2716      1.00000
     66      -9.2326      1.00000
     67      -9.1343      1.00000
     68      -9.1149      1.00000
     69      -9.1072      1.00000
     70      -8.9373      1.00000
     71      -8.8681      1.00000
     72      -8.6022      1.00000
     73      -8.5882      1.00000
     74      -8.2358      1.00000
     75      -8.0999      1.00000
     76      -7.9123      1.00000
     77      -7.8603      1.00000
     78      -7.7704      1.00000
     79      -7.7546      1.00000
     80      -7.6909      1.00000
     81      -7.5609      1.00000
     82      -7.3377      1.00000
     83      -7.3208      1.00000
     84      -7.2023      1.00000
     85      -7.1220      1.00000
     86      -7.0306      1.00000
     87      -7.0090      1.00000
     88      -6.7029      1.00000
     89      -6.6762      1.00000
     90      -6.6395      1.00000
     91      -6.5960      1.00000
     92      -6.1155      1.00000
     93      -6.0605      1.00000
     94      -6.0288      1.00000
     95      -6.0095      1.00000
     96      -5.7822      1.00000
     97      -4.9748      1.00000
     98      -4.8311      1.00000
     99      -4.7462      1.00000
    100      -4.6786      1.00000
    101      -4.4691      1.00000
    102      -4.2056      1.00000
    103      -4.1713      1.00000
    104      -4.1275      1.00000
    105      -3.7299      1.00000
    106      -3.4905      1.00000
    107      -1.8710      0.00000
    108      -1.8083      0.00000
    109      -1.5252      0.00000
    110      -1.3769      0.00000
    111      -1.3216      0.00000
    112      -1.2883      0.00000
    113      -0.7206      0.00000
    114      -0.3764      0.00000
    115      -0.2492      0.00000
    116       0.0382      0.00000
    117       0.5452      0.00000
    118       0.6967      0.00000
    119       0.7444      0.00000
    120       1.0455      0.00000
    121       1.0984      0.00000
    122       1.1427      0.00000
    123       1.2241      0.00000
    124       1.3653      0.00000
    125       1.5104      0.00000
    126       1.5593      0.00000
    127       1.7029      0.00000
    128       1.8065      0.00000
    129       1.8549      0.00000
    130       1.8777      0.00000
    131       2.0847      0.00000
    132       2.1653      0.00000
    133       2.2258      0.00000
    134       2.2829      0.00000
    135       2.4906      0.00000
    136       2.5602      0.00000
    137       2.6342      0.00000
    138       2.7617      0.00000
    139       2.7828      0.00000
    140       2.8209      0.00000
    141       2.8562      0.00000
    142       2.8795      0.00000
    143       2.9347      0.00000
    144       3.0467      0.00000
    145       3.1313      0.00000
    146       3.2887      0.00000
    147       3.3786      0.00000
    148       3.4267      0.00000
    149       3.4485      0.00000
    150       3.5956      0.00000
    151       3.6326      0.00000
    152       3.6532      0.00000
    153       3.6983      0.00000
    154       3.8829      0.00000
    155       3.9343      0.00000
    156       3.9946      0.00000
    157       4.0435      0.00000
    158       4.2112      0.00000
    159       4.2325      0.00000
    160       4.2515      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2798      1.00000
      2     -22.0741      1.00000
      3     -21.7128      1.00000
      4     -21.6808      1.00000
      5     -20.9758      1.00000
      6     -20.9350      1.00000
      7     -20.6083      1.00000
      8     -20.5716      1.00000
      9     -20.5652      1.00000
     10     -20.0292      1.00000
     11     -19.4997      1.00000
     12     -19.4880      1.00000
     13     -19.3031      1.00000
     14     -19.2980      1.00000
     15     -18.4447      1.00000
     16     -18.4079      1.00000
     17     -17.9194      1.00000
     18     -17.9095      1.00000
     19     -17.7589      1.00000
     20     -17.7229      1.00000
     21     -17.4332      1.00000
     22     -17.4252      1.00000
     23     -17.3385      1.00000
     24     -16.4598      1.00000
     25     -16.4585      1.00000
     26     -15.9641      1.00000
     27     -15.4098      1.00000
     28     -15.4059      1.00000
     29     -15.0924      1.00000
     30     -15.0902      1.00000
     31     -14.8524      1.00000
     32     -14.8450      1.00000
     33     -14.2882      1.00000
     34     -14.2553      1.00000
     35     -13.4348      1.00000
     36     -13.4022      1.00000
     37     -13.1751      1.00000
     38     -13.1705      1.00000
     39     -12.9783      1.00000
     40     -12.9733      1.00000
     41     -12.6111      1.00000
     42     -12.6062      1.00000
     43     -12.1962      1.00000
     44     -11.5724      1.00000
     45     -11.5385      1.00000
     46     -11.3066      1.00000
     47     -11.2837      1.00000
     48     -11.1407      1.00000
     49     -10.6737      1.00000
     50     -10.6586      1.00000
     51     -10.5514      1.00000
     52     -10.3226      1.00000
     53     -10.3140      1.00000
     54     -10.1666      1.00000
     55     -10.1139      1.00000
     56     -10.1091      1.00000
     57      -9.7956      1.00000
     58      -9.7646      1.00000
     59      -9.7481      1.00000
     60      -9.6969      1.00000
     61      -9.6955      1.00000
     62      -9.6594      1.00000
     63      -9.3541      1.00000
     64      -9.3473      1.00000
     65      -9.3113      1.00000
     66      -9.0393      1.00000
     67      -8.9613      1.00000
     68      -8.9461      1.00000
     69      -8.7973      1.00000
     70      -8.5913      1.00000
     71      -8.5555      1.00000
     72      -8.3965      1.00000
     73      -8.3629      1.00000
     74      -8.3223      1.00000
     75      -8.3048      1.00000
     76      -8.2570      1.00000
     77      -8.2542      1.00000
     78      -8.2326      1.00000
     79      -7.9033      1.00000
     80      -7.6508      1.00000
     81      -7.5497      1.00000
     82      -7.3853      1.00000
     83      -7.3479      1.00000
     84      -7.2302      1.00000
     85      -7.0944      1.00000
     86      -7.0370      1.00000
     87      -6.9320      1.00000
     88      -6.8467      1.00000
     89      -6.6095      1.00000
     90      -6.5583      1.00000
     91      -6.2668      1.00000
     92      -6.0428      1.00000
     93      -5.9502      1.00000
     94      -5.6618      1.00000
     95      -5.6208      1.00000
     96      -5.4627      1.00000
     97      -5.3193      1.00000
     98      -5.2775      1.00000
     99      -5.2130      1.00000
    100      -5.1921      1.00000
    101      -4.5089      1.00000
    102      -4.2103      1.00000
    103      -4.0594      1.00000
    104      -3.9884      1.00000
    105      -3.6944      1.00000
    106      -3.5007      1.00000
    107      -1.9467      0.00000
    108      -1.8959      0.00000
    109      -1.3403      0.00000
    110      -1.0852      0.00000
    111      -1.0574      0.00000
    112      -0.8008      0.00000
    113      -0.6767      0.00000
    114      -0.6475      0.00000
    115      -0.6078      0.00000
    116      -0.1073      0.00000
    117       0.2145      0.00000
    118       0.3296      0.00000
    119       0.6826      0.00000
    120       0.8786      0.00000
    121       1.1242      0.00000
    122       1.1969      0.00000
    123       1.3158      0.00000
    124       1.4065      0.00000
    125       1.5476      0.00000
    126       1.5721      0.00000
    127       1.6584      0.00000
    128       1.7958      0.00000
    129       1.8601      0.00000
    130       2.0335      0.00000
    131       2.1191      0.00000
    132       2.3228      0.00000
    133       2.3575      0.00000
    134       2.3733      0.00000
    135       2.5196      0.00000
    136       2.6154      0.00000
    137       2.7111      0.00000
    138       2.7544      0.00000
    139       2.8223      0.00000
    140       2.8649      0.00000
    141       3.0284      0.00000
    142       3.0390      0.00000
    143       3.1368      0.00000
    144       3.2423      0.00000
    145       3.3400      0.00000
    146       3.3938      0.00000
    147       3.4078      0.00000
    148       3.5536      0.00000
    149       3.5661      0.00000
    150       3.5802      0.00000
    151       3.6460      0.00000
    152       3.6581      0.00000
    153       3.7610      0.00000
    154       3.7794      0.00000
    155       3.8006      0.00000
    156       3.8733      0.00000
    157       3.8976      0.00000
    158       3.9681      0.00000
    159       4.1880      0.00000
    160       4.2067      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3137      1.00000
      2     -21.9591      1.00000
      3     -21.8896      1.00000
      4     -21.3771      1.00000
      5     -21.3476      1.00000
      6     -20.8364      1.00000
      7     -20.7708      1.00000
      8     -20.6208      1.00000
      9     -20.0738      1.00000
     10     -20.0680      1.00000
     11     -19.7135      1.00000
     12     -19.6888      1.00000
     13     -18.9931      1.00000
     14     -18.9871      1.00000
     15     -18.6369      1.00000
     16     -18.6208      1.00000
     17     -18.4596      1.00000
     18     -17.6732      1.00000
     19     -17.6223      1.00000
     20     -17.6197      1.00000
     21     -17.5777      1.00000
     22     -17.1234      1.00000
     23     -17.1018      1.00000
     24     -16.9590      1.00000
     25     -15.9990      1.00000
     26     -15.9244      1.00000
     27     -15.5830      1.00000
     28     -15.5827      1.00000
     29     -15.2834      1.00000
     30     -14.8615      1.00000
     31     -14.8341      1.00000
     32     -14.5773      1.00000
     33     -14.5353      1.00000
     34     -14.1643      1.00000
     35     -14.1507      1.00000
     36     -13.1462      1.00000
     37     -13.0982      1.00000
     38     -13.0280      1.00000
     39     -13.0180      1.00000
     40     -12.7075      1.00000
     41     -12.7033      1.00000
     42     -12.3374      1.00000
     43     -12.3060      1.00000
     44     -11.6322      1.00000
     45     -11.6184      1.00000
     46     -11.5676      1.00000
     47     -10.9456      1.00000
     48     -10.9123      1.00000
     49     -10.6313      1.00000
     50     -10.6235      1.00000
     51     -10.5457      1.00000
     52     -10.4956      1.00000
     53     -10.4955      1.00000
     54     -10.4386      1.00000
     55     -10.3599      1.00000
     56     -10.0972      1.00000
     57      -9.9008      1.00000
     58      -9.6084      1.00000
     59      -9.5559      1.00000
     60      -9.4499      1.00000
     61      -9.4082      1.00000
     62      -9.4024      1.00000
     63      -9.3760      1.00000
     64      -9.3760      1.00000
     65      -9.2849      1.00000
     66      -9.1650      1.00000
     67      -9.1395      1.00000
     68      -9.1109      1.00000
     69      -8.8610      1.00000
     70      -8.8532      1.00000
     71      -8.8134      1.00000
     72      -8.5948      1.00000
     73      -8.4782      1.00000
     74      -8.1954      1.00000
     75      -8.1597      1.00000
     76      -8.0073      1.00000
     77      -7.9636      1.00000
     78      -7.8504      1.00000
     79      -7.8402      1.00000
     80      -7.7029      1.00000
     81      -7.6959      1.00000
     82      -7.6202      1.00000
     83      -7.4480      1.00000
     84      -7.2989      1.00000
     85      -7.2531      1.00000
     86      -6.9038      1.00000
     87      -6.8898      1.00000
     88      -6.5870      1.00000
     89      -6.5496      1.00000
     90      -6.4068      1.00000
     91      -6.2512      1.00000
     92      -6.2309      1.00000
     93      -6.2015      1.00000
     94      -6.0221      1.00000
     95      -5.5494      1.00000
     96      -5.4881      1.00000
     97      -5.3500      1.00000
     98      -5.2188      1.00000
     99      -4.9779      1.00000
    100      -4.7320      1.00000
    101      -4.6771      1.00000
    102      -4.3873      1.00000
    103      -4.2056      1.00000
    104      -3.8719      1.00000
    105      -3.5455      1.00000
    106      -3.5129      1.00000
    107      -2.2558      0.00000
    108      -1.4580      0.00000
    109      -1.3703      0.00000
    110      -1.2418      0.00000
    111      -1.0986      0.00000
    112      -0.9458      0.00000
    113      -0.8642      0.00000
    114      -0.8037      0.00000
    115      -0.1383      0.00000
    116       0.1119      0.00000
    117       0.2412      0.00000
    118       0.3778      0.00000
    119       0.6392      0.00000
    120       0.8337      0.00000
    121       0.9351      0.00000
    122       1.0550      0.00000
    123       1.2195      0.00000
    124       1.4392      0.00000
    125       1.5244      0.00000
    126       1.7637      0.00000
    127       1.7868      0.00000
    128       1.8609      0.00000
    129       1.9417      0.00000
    130       2.0339      0.00000
    131       2.1528      0.00000
    132       2.1851      0.00000
    133       2.3893      0.00000
    134       2.4568      0.00000
    135       2.5295      0.00000
    136       2.6023      0.00000
    137       2.6360      0.00000
    138       2.6793      0.00000
    139       2.7564      0.00000
    140       2.8085      0.00000
    141       2.9249      0.00000
    142       3.0591      0.00000
    143       3.1760      0.00000
    144       3.2038      0.00000
    145       3.2433      0.00000
    146       3.3047      0.00000
    147       3.3080      0.00000
    148       3.4431      0.00000
    149       3.4722      0.00000
    150       3.6822      0.00000
    151       3.6886      0.00000
    152       3.7094      0.00000
    153       3.8420      0.00000
    154       3.8949      0.00000
    155       3.9196      0.00000
    156       3.9699      0.00000
    157       4.0038      0.00000
    158       4.0250      0.00000
    159       4.0512      0.00000
    160       4.0577      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2069      1.00000
      2     -22.1136      1.00000
      3     -21.9529      1.00000
      4     -21.4006      1.00000
      5     -21.0462      1.00000
      6     -21.0102      1.00000
      7     -20.4972      1.00000
      8     -20.4576      1.00000
      9     -20.2916      1.00000
     10     -20.2722      1.00000
     11     -19.9539      1.00000
     12     -19.8881      1.00000
     13     -18.8791      1.00000
     14     -18.8102      1.00000
     15     -18.3501      1.00000
     16     -18.3037      1.00000
     17     -18.1501      1.00000
     18     -18.1326      1.00000
     19     -17.8241      1.00000
     20     -17.7863      1.00000
     21     -17.2495      1.00000
     22     -17.2386      1.00000
     23     -17.1626      1.00000
     24     -17.1296      1.00000
     25     -16.1071      1.00000
     26     -15.8814      1.00000
     27     -15.8667      1.00000
     28     -15.8314      1.00000
     29     -15.2343      1.00000
     30     -14.5518      1.00000
     31     -14.5239      1.00000
     32     -14.2780      1.00000
     33     -13.9620      1.00000
     34     -13.9543      1.00000
     35     -13.8185      1.00000
     36     -13.8026      1.00000
     37     -13.6121      1.00000
     38     -13.5679      1.00000
     39     -13.3661      1.00000
     40     -12.6313      1.00000
     41     -12.1785      1.00000
     42     -12.1302      1.00000
     43     -12.0682      1.00000
     44     -12.0158      1.00000
     45     -11.6684      1.00000
     46     -11.6548      1.00000
     47     -11.1365      1.00000
     48     -11.1157      1.00000
     49     -10.7910      1.00000
     50     -10.7271      1.00000
     51     -10.5276      1.00000
     52     -10.2084      1.00000
     53     -10.2020      1.00000
     54     -10.1619      1.00000
     55     -10.0160      1.00000
     56     -10.0019      1.00000
     57      -9.9879      1.00000
     58      -9.7994      1.00000
     59      -9.7953      1.00000
     60      -9.7606      1.00000
     61      -9.7555      1.00000
     62      -9.4508      1.00000
     63      -9.4151      1.00000
     64      -9.0784      1.00000
     65      -9.0713      1.00000
     66      -9.0384      1.00000
     67      -8.9530      1.00000
     68      -8.8751      1.00000
     69      -8.7106      1.00000
     70      -8.6980      1.00000
     71      -8.5627      1.00000
     72      -8.5394      1.00000
     73      -8.4972      1.00000
     74      -8.4615      1.00000
     75      -8.4501      1.00000
     76      -8.2585      1.00000
     77      -8.1238      1.00000
     78      -8.0414      1.00000
     79      -7.9142      1.00000
     80      -7.8620      1.00000
     81      -7.6132      1.00000
     82      -7.5466      1.00000
     83      -7.4883      1.00000
     84      -7.2687      1.00000
     85      -6.9949      1.00000
     86      -6.9222      1.00000
     87      -6.8811      1.00000
     88      -6.5300      1.00000
     89      -6.4844      1.00000
     90      -6.4595      1.00000
     91      -6.4082      1.00000
     92      -5.9830      1.00000
     93      -5.8963      1.00000
     94      -5.7835      1.00000
     95      -5.7577      1.00000
     96      -5.4316      1.00000
     97      -5.3284      1.00000
     98      -5.2291      1.00000
     99      -5.2169      1.00000
    100      -5.1866      1.00000
    101      -4.6915      1.00000
    102      -4.4214      1.00000
    103      -4.2122      1.00000
    104      -3.8353      1.00000
    105      -3.5320      1.00000
    106      -3.2735      1.00000
    107      -2.5309      0.00000
    108      -1.4594      0.00000
    109      -1.2663      0.00000
    110      -1.2029      0.00000
    111      -1.1723      0.00000
    112      -0.7203      0.00000
    113      -0.5040      0.00000
    114      -0.4122      0.00000
    115      -0.3394      0.00000
    116      -0.1463      0.00000
    117      -0.0038      0.00000
    118       0.1947      0.00000
    119       0.5612      0.00000
    120       0.6111      0.00000
    121       0.7856      0.00000
    122       0.8959      0.00000
    123       1.1200      0.00000
    124       1.4737      0.00000
    125       1.6215      0.00000
    126       1.8216      0.00000
    127       1.9080      0.00000
    128       2.0834      0.00000
    129       2.0972      0.00000
    130       2.1474      0.00000
    131       2.1870      0.00000
    132       2.2774      0.00000
    133       2.3335      0.00000
    134       2.4660      0.00000
    135       2.5729      0.00000
    136       2.6396      0.00000
    137       2.8348      0.00000
    138       2.8668      0.00000
    139       2.8829      0.00000
    140       2.9912      0.00000
    141       3.0031      0.00000
    142       3.1220      0.00000
    143       3.1755      0.00000
    144       3.2175      0.00000
    145       3.2590      0.00000
    146       3.2686      0.00000
    147       3.2931      0.00000
    148       3.3341      0.00000
    149       3.3985      0.00000
    150       3.4166      0.00000
    151       3.5227      0.00000
    152       3.6021      0.00000
    153       3.7021      0.00000
    154       3.7175      0.00000
    155       3.7494      0.00000
    156       3.8805      0.00000
    157       3.9182      0.00000
    158       3.9830      0.00000
    159       4.0984      0.00000
    160       4.1930      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3135      1.00000
      2     -21.9606      1.00000
      3     -21.8882      1.00000
      4     -21.3810      1.00000
      5     -21.3445      1.00000
      6     -20.8358      1.00000
      7     -20.7692      1.00000
      8     -20.6212      1.00000
      9     -20.0863      1.00000
     10     -20.0574      1.00000
     11     -19.7149      1.00000
     12     -19.6860      1.00000
     13     -19.0067      1.00000
     14     -18.9754      1.00000
     15     -18.6469      1.00000
     16     -18.6140      1.00000
     17     -18.4571      1.00000
     18     -17.6576      1.00000
     19     -17.6434      1.00000
     20     -17.6074      1.00000
     21     -17.5746      1.00000
     22     -17.1347      1.00000
     23     -17.0945      1.00000
     24     -16.9635      1.00000
     25     -16.0059      1.00000
     26     -15.9202      1.00000
     27     -15.5954      1.00000
     28     -15.5718      1.00000
     29     -15.2774      1.00000
     30     -14.8738      1.00000
     31     -14.8266      1.00000
     32     -14.5716      1.00000
     33     -14.5339      1.00000
     34     -14.1619      1.00000
     35     -14.1576      1.00000
     36     -13.1597      1.00000
     37     -13.0920      1.00000
     38     -13.0198      1.00000
     39     -13.0156      1.00000
     40     -12.7150      1.00000
     41     -12.6915      1.00000
     42     -12.3376      1.00000
     43     -12.3103      1.00000
     44     -11.6302      1.00000
     45     -11.6208      1.00000
     46     -11.5672      1.00000
     47     -10.9384      1.00000
     48     -10.9202      1.00000
     49     -10.6672      1.00000
     50     -10.5868      1.00000
     51     -10.5712      1.00000
     52     -10.4993      1.00000
     53     -10.4858      1.00000
     54     -10.4366      1.00000
     55     -10.3522      1.00000
     56     -10.1015      1.00000
     57      -9.8951      1.00000
     58      -9.6048      1.00000
     59      -9.5474      1.00000
     60      -9.4521      1.00000
     61      -9.4175      1.00000
     62      -9.4057      1.00000
     63      -9.3758      1.00000
     64      -9.3686      1.00000
     65      -9.2652      1.00000
     66      -9.1641      1.00000
     67      -9.1400      1.00000
     68      -9.1136      1.00000
     69      -8.8644      1.00000
     70      -8.8578      1.00000
     71      -8.8005      1.00000
     72      -8.5941      1.00000
     73      -8.5250      1.00000
     74      -8.1915      1.00000
     75      -8.1684      1.00000
     76      -8.0744      1.00000
     77      -7.8551      1.00000
     78      -7.8346      1.00000
     79      -7.8214      1.00000
     80      -7.7088      1.00000
     81      -7.6937      1.00000
     82      -7.5957      1.00000
     83      -7.5298      1.00000
     84      -7.3486      1.00000
     85      -7.1673      1.00000
     86      -6.9040      1.00000
     87      -6.8935      1.00000
     88      -6.5913      1.00000
     89      -6.5494      1.00000
     90      -6.4034      1.00000
     91      -6.3010      1.00000
     92      -6.2461      1.00000
     93      -6.2002      1.00000
     94      -6.0023      1.00000
     95      -5.5310      1.00000
     96      -5.4635      1.00000
     97      -5.3130      1.00000
     98      -5.2079      1.00000
     99      -5.0466      1.00000
    100      -4.7233      1.00000
    101      -4.6707      1.00000
    102      -4.4241      1.00000
    103      -4.1970      1.00000
    104      -3.8439      1.00000
    105      -3.6355      1.00000
    106      -3.4175      1.00000
    107      -2.2925      0.00000
    108      -1.5104      0.00000
    109      -1.2701      0.00000
    110      -1.2623      0.00000
    111      -1.0349      0.00000
    112      -0.9767      0.00000
    113      -0.8681      0.00000
    114      -0.7998      0.00000
    115      -0.2612      0.00000
    116       0.2032      0.00000
    117       0.2386      0.00000
    118       0.3598      0.00000
    119       0.6797      0.00000
    120       0.8927      0.00000
    121       0.9217      0.00000
    122       1.0318      0.00000
    123       1.1569      0.00000
    124       1.4979      0.00000
    125       1.5346      0.00000
    126       1.6977      0.00000
    127       1.7750      0.00000
    128       1.8272      0.00000
    129       1.9452      0.00000
    130       1.9655      0.00000
    131       2.1772      0.00000
    132       2.2352      0.00000
    133       2.3922      0.00000
    134       2.4616      0.00000
    135       2.5297      0.00000
    136       2.5954      0.00000
    137       2.6157      0.00000
    138       2.6818      0.00000
    139       2.7382      0.00000
    140       2.8368      0.00000
    141       3.0173      0.00000
    142       3.0580      0.00000
    143       3.1725      0.00000
    144       3.2325      0.00000
    145       3.2446      0.00000
    146       3.2813      0.00000
    147       3.3301      0.00000
    148       3.4265      0.00000
    149       3.4948      0.00000
    150       3.6753      0.00000
    151       3.7115      0.00000
    152       3.7157      0.00000
    153       3.8124      0.00000
    154       3.8750      0.00000
    155       3.9071      0.00000
    156       3.9623      0.00000
    157       3.9955      0.00000
    158       4.0336      0.00000
    159       4.0348      0.00000
    160       4.0821      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3856      1.00000
      2     -21.8269      1.00000
      3     -21.6377      1.00000
      4     -21.6027      1.00000
      5     -21.2751      1.00000
      6     -21.2280      1.00000
      7     -21.0524      1.00000
      8     -20.1678      1.00000
      9     -20.1215      1.00000
     10     -19.6138      1.00000
     11     -19.5878      1.00000
     12     -19.4117      1.00000
     13     -19.0912      1.00000
     14     -19.0526      1.00000
     15     -19.0484      1.00000
     16     -19.0352      1.00000
     17     -18.3637      1.00000
     18     -18.3441      1.00000
     19     -18.0129      1.00000
     20     -17.0692      1.00000
     21     -17.0201      1.00000
     22     -16.9468      1.00000
     23     -16.9331      1.00000
     24     -16.4729      1.00000
     25     -16.4607      1.00000
     26     -15.6070      1.00000
     27     -15.6065      1.00000
     28     -15.2469      1.00000
     29     -15.2350      1.00000
     30     -15.1871      1.00000
     31     -15.0971      1.00000
     32     -15.0642      1.00000
     33     -14.6960      1.00000
     34     -14.6952      1.00000
     35     -13.7228      1.00000
     36     -13.7227      1.00000
     37     -13.2309      1.00000
     38     -12.6211      1.00000
     39     -12.5770      1.00000
     40     -12.4503      1.00000
     41     -12.4450      1.00000
     42     -12.1031      1.00000
     43     -12.0984      1.00000
     44     -11.7203      1.00000
     45     -11.6816      1.00000
     46     -11.2435      1.00000
     47     -11.2229      1.00000
     48     -11.0135      1.00000
     49     -11.0018      1.00000
     50     -10.9257      1.00000
     51     -10.8970      1.00000
     52     -10.6353      1.00000
     53     -10.1688      1.00000
     54     -10.1454      1.00000
     55     -10.0807      1.00000
     56      -9.9899      1.00000
     57      -9.6932      1.00000
     58      -9.6867      1.00000
     59      -9.6678      1.00000
     60      -9.5901      1.00000
     61      -9.5661      1.00000
     62      -9.5514      1.00000
     63      -9.3092      1.00000
     64      -9.2959      1.00000
     65      -9.2805      1.00000
     66      -9.2428      1.00000
     67      -9.1196      1.00000
     68      -9.1086      1.00000
     69      -9.1070      1.00000
     70      -8.9370      1.00000
     71      -8.8751      1.00000
     72      -8.6043      1.00000
     73      -8.5854      1.00000
     74      -8.2705      1.00000
     75      -8.0975      1.00000
     76      -7.8675      1.00000
     77      -7.8413      1.00000
     78      -7.7896      1.00000
     79      -7.7618      1.00000
     80      -7.7524      1.00000
     81      -7.4479      1.00000
     82      -7.3312      1.00000
     83      -7.3198      1.00000
     84      -7.2648      1.00000
     85      -7.1607      1.00000
     86      -7.0152      1.00000
     87      -6.9847      1.00000
     88      -6.7164      1.00000
     89      -6.6889      1.00000
     90      -6.6297      1.00000
     91      -6.5888      1.00000
     92      -6.1139      1.00000
     93      -6.0586      1.00000
     94      -6.0431      1.00000
     95      -6.0284      1.00000
     96      -5.7460      1.00000
     97      -4.9747      1.00000
     98      -4.8390      1.00000
     99      -4.7076      1.00000
    100      -4.6720      1.00000
    101      -4.4837      1.00000
    102      -4.3543      1.00000
    103      -4.1117      1.00000
    104      -4.0561      1.00000
    105      -3.7556      1.00000
    106      -3.4679      1.00000
    107      -1.9513      0.00000
    108      -1.7712      0.00000
    109      -1.4800      0.00000
    110      -1.3560      0.00000
    111      -1.3355      0.00000
    112      -1.2922      0.00000
    113      -0.6777      0.00000
    114      -0.4720      0.00000
    115      -0.2365      0.00000
    116       0.0523      0.00000
    117       0.5747      0.00000
    118       0.6909      0.00000
    119       0.7689      0.00000
    120       1.0214      0.00000
    121       1.0959      0.00000
    122       1.1726      0.00000
    123       1.2455      0.00000
    124       1.3258      0.00000
    125       1.4151      0.00000
    126       1.5743      0.00000
    127       1.7543      0.00000
    128       1.8340      0.00000
    129       1.8580      0.00000
    130       1.8805      0.00000
    131       2.0392      0.00000
    132       2.1993      0.00000
    133       2.2078      0.00000
    134       2.2585      0.00000
    135       2.4628      0.00000
    136       2.5936      0.00000
    137       2.6372      0.00000
    138       2.7211      0.00000
    139       2.7728      0.00000
    140       2.8330      0.00000
    141       2.8389      0.00000
    142       2.8684      0.00000
    143       2.9399      0.00000
    144       3.0490      0.00000
    145       3.2862      0.00000
    146       3.3438      0.00000
    147       3.3944      0.00000
    148       3.4094      0.00000
    149       3.4111      0.00000
    150       3.5737      0.00000
    151       3.6399      0.00000
    152       3.6543      0.00000
    153       3.7123      0.00000
    154       3.8792      0.00000
    155       3.8963      0.00000
    156       3.9360      0.00000
    157       4.0826      0.00000
    158       4.1812      0.00000
    159       4.2297      0.00000
    160       4.2647      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2060      1.00000
      2     -22.1148      1.00000
      3     -21.9527      1.00000
      4     -21.4010      1.00000
      5     -21.0423      1.00000
      6     -21.0138      1.00000
      7     -20.4925      1.00000
      8     -20.4623      1.00000
      9     -20.2822      1.00000
     10     -20.2802      1.00000
     11     -19.9535      1.00000
     12     -19.8901      1.00000
     13     -18.8806      1.00000
     14     -18.8128      1.00000
     15     -18.3340      1.00000
     16     -18.3148      1.00000
     17     -18.1458      1.00000
     18     -18.1383      1.00000
     19     -17.8122      1.00000
     20     -17.7941      1.00000
     21     -17.2556      1.00000
     22     -17.2359      1.00000
     23     -17.1570      1.00000
     24     -17.1331      1.00000
     25     -16.1112      1.00000
     26     -15.8778      1.00000
     27     -15.8666      1.00000
     28     -15.8385      1.00000
     29     -15.2283      1.00000
     30     -14.5490      1.00000
     31     -14.5304      1.00000
     32     -14.2734      1.00000
     33     -13.9709      1.00000
     34     -13.9471      1.00000
     35     -13.8218      1.00000
     36     -13.7993      1.00000
     37     -13.6018      1.00000
     38     -13.5763      1.00000
     39     -13.3655      1.00000
     40     -12.6341      1.00000
     41     -12.1671      1.00000
     42     -12.1405      1.00000
     43     -12.0657      1.00000
     44     -12.0186      1.00000
     45     -11.6608      1.00000
     46     -11.6559      1.00000
     47     -11.1354      1.00000
     48     -11.1243      1.00000
     49     -10.7895      1.00000
     50     -10.7331      1.00000
     51     -10.5345      1.00000
     52     -10.2043      1.00000
     53     -10.1980      1.00000
     54     -10.1675      1.00000
     55     -10.0192      1.00000
     56      -9.9913      1.00000
     57      -9.9862      1.00000
     58      -9.8013      1.00000
     59      -9.7918      1.00000
     60      -9.7624      1.00000
     61      -9.7549      1.00000
     62      -9.4541      1.00000
     63      -9.4155      1.00000
     64      -9.0815      1.00000
     65      -9.0422      1.00000
     66      -9.0232      1.00000
     67      -8.9691      1.00000
     68      -8.8956      1.00000
     69      -8.7045      1.00000
     70      -8.6952      1.00000
     71      -8.5599      1.00000
     72      -8.5487      1.00000
     73      -8.4762      1.00000
     74      -8.4571      1.00000
     75      -8.4542      1.00000
     76      -8.3068      1.00000
     77      -8.0930      1.00000
     78      -8.0869      1.00000
     79      -7.9231      1.00000
     80      -7.8300      1.00000
     81      -7.5992      1.00000
     82      -7.5370      1.00000
     83      -7.4420      1.00000
     84      -7.3162      1.00000
     85      -6.9904      1.00000
     86      -6.9157      1.00000
     87      -6.8784      1.00000
     88      -6.5277      1.00000
     89      -6.5141      1.00000
     90      -6.4804      1.00000
     91      -6.4192      1.00000
     92      -5.9255      1.00000
     93      -5.9037      1.00000
     94      -5.7873      1.00000
     95      -5.7735      1.00000
     96      -5.3682      1.00000
     97      -5.3619      1.00000
     98      -5.2186      1.00000
     99      -5.2142      1.00000
    100      -5.1977      1.00000
    101      -4.7205      1.00000
    102      -4.4428      1.00000
    103      -4.1931      1.00000
    104      -3.8216      1.00000
    105      -3.5680      1.00000
    106      -3.2214      1.00000
    107      -2.5623      0.00000
    108      -1.4645      0.00000
    109      -1.2658      0.00000
    110      -1.1854      0.00000
    111      -1.1843      0.00000
    112      -0.6452      0.00000
    113      -0.5515      0.00000
    114      -0.4152      0.00000
    115      -0.3485      0.00000
    116      -0.0775      0.00000
    117      -0.0631      0.00000
    118       0.1269      0.00000
    119       0.5918      0.00000
    120       0.6247      0.00000
    121       0.8438      0.00000
    122       0.9721      0.00000
    123       0.9945      0.00000
    124       1.4845      0.00000
    125       1.6680      0.00000
    126       1.7306      0.00000
    127       1.8347      0.00000
    128       2.0862      0.00000
    129       2.1431      0.00000
    130       2.1814      0.00000
    131       2.2073      0.00000
    132       2.2541      0.00000
    133       2.3451      0.00000
    134       2.4805      0.00000
    135       2.5137      0.00000
    136       2.6424      0.00000
    137       2.8513      0.00000
    138       2.8540      0.00000
    139       2.9372      0.00000
    140       2.9803      0.00000
    141       3.0135      0.00000
    142       3.1189      0.00000
    143       3.1892      0.00000
    144       3.2268      0.00000
    145       3.2300      0.00000
    146       3.2694      0.00000
    147       3.2923      0.00000
    148       3.3410      0.00000
    149       3.3879      0.00000
    150       3.5223      0.00000
    151       3.5460      0.00000
    152       3.6271      0.00000
    153       3.6386      0.00000
    154       3.6975      0.00000
    155       3.7166      0.00000
    156       3.8821      0.00000
    157       3.9373      0.00000
    158       4.0095      0.00000
    159       4.0447      0.00000
    160       4.1527      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2793      1.00000
      2     -22.0746      1.00000
      3     -21.7165      1.00000
      4     -21.6772      1.00000
      5     -20.9791      1.00000
      6     -20.9312      1.00000
      7     -20.6077      1.00000
      8     -20.5751      1.00000
      9     -20.5618      1.00000
     10     -20.0282      1.00000
     11     -19.5103      1.00000
     12     -19.4803      1.00000
     13     -19.3082      1.00000
     14     -19.2953      1.00000
     15     -18.4460      1.00000
     16     -18.4028      1.00000
     17     -17.9245      1.00000
     18     -17.9042      1.00000
     19     -17.7624      1.00000
     20     -17.7174      1.00000
     21     -17.4386      1.00000
     22     -17.4203      1.00000
     23     -17.3348      1.00000
     24     -16.4690      1.00000
     25     -16.4585      1.00000
     26     -15.9654      1.00000
     27     -15.4086      1.00000
     28     -15.4077      1.00000
     29     -15.0937      1.00000
     30     -15.0905      1.00000
     31     -14.8504      1.00000
     32     -14.8383      1.00000
     33     -14.2939      1.00000
     34     -14.2502      1.00000
     35     -13.4407      1.00000
     36     -13.3968      1.00000
     37     -13.1729      1.00000
     38     -13.1717      1.00000
     39     -12.9808      1.00000
     40     -12.9720      1.00000
     41     -12.6085      1.00000
     42     -12.6067      1.00000
     43     -12.1925      1.00000
     44     -11.5782      1.00000
     45     -11.5369      1.00000
     46     -11.3117      1.00000
     47     -11.2814      1.00000
     48     -11.1378      1.00000
     49     -10.6911      1.00000
     50     -10.6617      1.00000
     51     -10.5455      1.00000
     52     -10.3181      1.00000
     53     -10.3104      1.00000
     54     -10.1730      1.00000
     55     -10.1202      1.00000
     56     -10.1065      1.00000
     57      -9.8090      1.00000
     58      -9.7489      1.00000
     59      -9.7481      1.00000
     60      -9.6980      1.00000
     61      -9.6942      1.00000
     62      -9.6442      1.00000
     63      -9.3488      1.00000
     64      -9.3472      1.00000
     65      -9.3177      1.00000
     66      -9.0261      1.00000
     67      -8.9581      1.00000
     68      -8.9543      1.00000
     69      -8.7729      1.00000
     70      -8.5916      1.00000
     71      -8.5869      1.00000
     72      -8.4215      1.00000
     73      -8.3473      1.00000
     74      -8.3209      1.00000
     75      -8.2989      1.00000
     76      -8.2641      1.00000
     77      -8.2533      1.00000
     78      -8.2387      1.00000
     79      -7.9198      1.00000
     80      -7.7330      1.00000
     81      -7.3758      1.00000
     82      -7.3464      1.00000
     83      -7.3247      1.00000
     84      -7.2138      1.00000
     85      -7.1590      1.00000
     86      -7.0634      1.00000
     87      -6.9593      1.00000
     88      -6.9034      1.00000
     89      -6.6139      1.00000
     90      -6.5526      1.00000
     91      -6.2716      1.00000
     92      -5.9949      1.00000
     93      -5.9576      1.00000
     94      -5.6741      1.00000
     95      -5.6476      1.00000
     96      -5.3862      1.00000
     97      -5.3134      1.00000
     98      -5.2926      1.00000
     99      -5.2106      1.00000
    100      -5.1991      1.00000
    101      -4.5120      1.00000
    102      -4.3413      1.00000
    103      -3.9968      1.00000
    104      -3.8862      1.00000
    105      -3.7936      1.00000
    106      -3.4456      1.00000
    107      -2.0350      0.00000
    108      -1.8633      0.00000
    109      -1.2185      0.00000
    110      -1.1827      0.00000
    111      -1.0365      0.00000
    112      -0.7730      0.00000
    113      -0.6770      0.00000
    114      -0.6608      0.00000
    115      -0.6096      0.00000
    116      -0.1009      0.00000
    117       0.2222      0.00000
    118       0.2402      0.00000
    119       0.7566      0.00000
    120       0.9726      0.00000
    121       1.0706      0.00000
    122       1.2372      0.00000
    123       1.2474      0.00000
    124       1.3309      0.00000
    125       1.5674      0.00000
    126       1.5826      0.00000
    127       1.6776      0.00000
    128       1.7838      0.00000
    129       1.9263      0.00000
    130       1.9284      0.00000
    131       2.0844      0.00000
    132       2.2944      0.00000
    133       2.3359      0.00000
    134       2.3974      0.00000
    135       2.5186      0.00000
    136       2.6130      0.00000
    137       2.7638      0.00000
    138       2.8238      0.00000
    139       2.8264      0.00000
    140       2.8516      0.00000
    141       3.0269      0.00000
    142       3.0820      0.00000
    143       3.1264      0.00000
    144       3.1966      0.00000
    145       3.3557      0.00000
    146       3.3982      0.00000
    147       3.4802      0.00000
    148       3.5189      0.00000
    149       3.5787      0.00000
    150       3.5961      0.00000
    151       3.6205      0.00000
    152       3.7213      0.00000
    153       3.7231      0.00000
    154       3.7604      0.00000
    155       3.8122      0.00000
    156       3.8573      0.00000
    157       3.9941      0.00000
    158       4.0663      0.00000
    159       4.1465      0.00000
    160       4.1796      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4224      1.00000
      2     -21.5997      1.00000
      3     -21.4774      1.00000
      4     -21.4687      1.00000
      5     -21.4368      1.00000
      6     -21.4361      1.00000
      7     -21.4258      1.00000
      8     -19.7042      1.00000
      9     -19.6488      1.00000
     10     -19.6263      1.00000
     11     -19.6144      1.00000
     12     -19.6095      1.00000
     13     -19.6083      1.00000
     14     -18.7867      1.00000
     15     -18.7509      1.00000
     16     -18.7318      1.00000
     17     -18.7224      1.00000
     18     -18.7143      1.00000
     19     -18.7094      1.00000
     20     -16.6329      1.00000
     21     -16.6063      1.00000
     22     -16.5820      1.00000
     23     -16.5789      1.00000
     24     -16.5515      1.00000
     25     -16.5500      1.00000
     26     -15.6098      1.00000
     27     -15.5992      1.00000
     28     -15.5960      1.00000
     29     -15.5620      1.00000
     30     -15.5600      1.00000
     31     -15.5570      1.00000
     32     -14.2563      1.00000
     33     -14.2477      1.00000
     34     -14.2383      1.00000
     35     -14.2333      1.00000
     36     -14.2193      1.00000
     37     -14.2156      1.00000
     38     -11.9031      1.00000
     39     -11.8766      1.00000
     40     -11.8659      1.00000
     41     -11.8636      1.00000
     42     -11.8429      1.00000
     43     -11.8421      1.00000
     44     -11.7673      1.00000
     45     -11.7662      1.00000
     46     -11.7315      1.00000
     47     -11.7255      1.00000
     48     -11.7233      1.00000
     49     -11.7178      1.00000
     50     -10.6742      1.00000
     51     -10.3852      1.00000
     52     -10.3810      1.00000
     53     -10.3741      1.00000
     54     -10.3645      1.00000
     55     -10.3528      1.00000
     56     -10.3503      1.00000
     57      -9.9027      1.00000
     58      -9.4480      1.00000
     59      -9.4031      1.00000
     60      -9.3598      1.00000
     61      -9.3591      1.00000
     62      -9.3512      1.00000
     63      -9.1386      1.00000
     64      -9.1218      1.00000
     65      -9.1181      1.00000
     66      -9.0829      1.00000
     67      -9.0679      1.00000
     68      -9.0678      1.00000
     69      -9.0669      1.00000
     70      -9.0637      1.00000
     71      -9.0612      1.00000
     72      -9.0375      1.00000
     73      -9.0260      1.00000
     74      -9.0231      1.00000
     75      -8.1297      1.00000
     76      -7.7477      1.00000
     77      -7.4676      1.00000
     78      -7.4630      1.00000
     79      -7.4527      1.00000
     80      -7.4321      1.00000
     81      -7.4209      1.00000
     82      -7.4044      1.00000
     83      -7.3113      1.00000
     84      -7.2687      1.00000
     85      -7.2552      1.00000
     86      -7.2467      1.00000
     87      -7.1485      1.00000
     88      -7.0486      1.00000
     89      -6.4446      1.00000
     90      -6.4147      1.00000
     91      -6.3991      1.00000
     92      -6.3614      1.00000
     93      -6.3510      1.00000
     94      -6.3389      1.00000
     95      -5.9590      1.00000
     96      -5.9544      1.00000
     97      -4.8072      1.00000
     98      -4.5444      1.00000
     99      -4.4804      1.00000
    100      -4.4746      1.00000
    101      -4.3810      1.00000
    102      -4.3806      1.00000
    103      -4.2675      1.00000
    104      -4.1890      1.00000
    105      -3.7398      1.00000
    106      -3.4802      1.00000
    107      -1.8630      0.00000
    108      -1.6696      0.00000
    109      -1.6241      0.00000
    110      -1.5917      0.00000
    111      -1.5755      0.00000
    112      -1.5750      0.00000
    113      -0.4287      0.00000
    114       0.1465      0.00000
    115       0.1906      0.00000
    116       0.2545      0.00000
    117       0.2681      0.00000
    118       0.2702      0.00000
    119       0.4781      0.00000
    120       0.5341      0.00000
    121       1.2339      0.00000
    122       1.2866      0.00000
    123       1.5120      0.00000
    124       1.7579      0.00000
    125       1.7600      0.00000
    126       1.7604      0.00000
    127       1.7993      0.00000
    128       1.8231      0.00000
    129       1.9569      0.00000
    130       1.9629      0.00000
    131       1.9726      0.00000
    132       1.9873      0.00000
    133       1.9950      0.00000
    134       2.0655      0.00000
    135       2.2257      0.00000
    136       2.3360      0.00000
    137       2.5750      0.00000
    138       2.5761      0.00000
    139       2.5982      0.00000
    140       2.6829      0.00000
    141       2.9186      0.00000
    142       3.0400      0.00000
    143       3.0598      0.00000
    144       3.0826      0.00000
    145       3.0943      0.00000
    146       3.0957      0.00000
    147       3.0995      0.00000
    148       3.2521      0.00000
    149       3.4346      0.00000
    150       3.4842      0.00000
    151       3.8143      0.00000
    152       3.9300      0.00000
    153       3.9313      0.00000
    154       3.9345      0.00000
    155       3.9461      0.00000
    156       3.9845      0.00000
    157       4.1668      0.00000
    158       4.2504      0.00000
    159       4.2526      0.00000
    160       4.2718      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3857      1.00000
      2     -21.8268      1.00000
      3     -21.6343      1.00000
      4     -21.6064      1.00000
      5     -21.2709      1.00000
      6     -21.2314      1.00000
      7     -21.0532      1.00000
      8     -20.1643      1.00000
      9     -20.1259      1.00000
     10     -19.6048      1.00000
     11     -19.5938      1.00000
     12     -19.4139      1.00000
     13     -19.0865      1.00000
     14     -19.0561      1.00000
     15     -19.0457      1.00000
     16     -19.0380      1.00000
     17     -18.3574      1.00000
     18     -18.3488      1.00000
     19     -18.0162      1.00000
     20     -17.0668      1.00000
     21     -17.0278      1.00000
     22     -16.9417      1.00000
     23     -16.9367      1.00000
     24     -16.4651      1.00000
     25     -16.4601      1.00000
     26     -15.6094      1.00000
     27     -15.6043      1.00000
     28     -15.2491      1.00000
     29     -15.2409      1.00000
     30     -15.1823      1.00000
     31     -15.0955      1.00000
     32     -15.0686      1.00000
     33     -14.6953      1.00000
     34     -14.6928      1.00000
     35     -13.7239      1.00000
     36     -13.7202      1.00000
     37     -13.2339      1.00000
     38     -12.6124      1.00000
     39     -12.5822      1.00000
     40     -12.4517      1.00000
     41     -12.4470      1.00000
     42     -12.1072      1.00000
     43     -12.1016      1.00000
     44     -11.7131      1.00000
     45     -11.6820      1.00000
     46     -11.2323      1.00000
     47     -11.2244      1.00000
     48     -11.0156      1.00000
     49     -11.0070      1.00000
     50     -10.9227      1.00000
     51     -10.9015      1.00000
     52     -10.6292      1.00000
     53     -10.1537      1.00000
     54     -10.1474      1.00000
     55     -10.0906      1.00000
     56      -9.9968      1.00000
     57      -9.6992      1.00000
     58      -9.6935      1.00000
     59      -9.6531      1.00000
     60      -9.5899      1.00000
     61      -9.5731      1.00000
     62      -9.5565      1.00000
     63      -9.3061      1.00000
     64      -9.3002      1.00000
     65      -9.2716      1.00000
     66      -9.2326      1.00000
     67      -9.1343      1.00000
     68      -9.1149      1.00000
     69      -9.1072      1.00000
     70      -8.9373      1.00000
     71      -8.8681      1.00000
     72      -8.6022      1.00000
     73      -8.5882      1.00000
     74      -8.2358      1.00000
     75      -8.0999      1.00000
     76      -7.9123      1.00000
     77      -7.8603      1.00000
     78      -7.7704      1.00000
     79      -7.7546      1.00000
     80      -7.6909      1.00000
     81      -7.5609      1.00000
     82      -7.3377      1.00000
     83      -7.3208      1.00000
     84      -7.2023      1.00000
     85      -7.1220      1.00000
     86      -7.0306      1.00000
     87      -7.0090      1.00000
     88      -6.7029      1.00000
     89      -6.6762      1.00000
     90      -6.6395      1.00000
     91      -6.5960      1.00000
     92      -6.1155      1.00000
     93      -6.0605      1.00000
     94      -6.0288      1.00000
     95      -6.0095      1.00000
     96      -5.7822      1.00000
     97      -4.9748      1.00000
     98      -4.8311      1.00000
     99      -4.7462      1.00000
    100      -4.6786      1.00000
    101      -4.4691      1.00000
    102      -4.2056      1.00000
    103      -4.1713      1.00000
    104      -4.1275      1.00000
    105      -3.7299      1.00000
    106      -3.4905      1.00000
    107      -1.8710      0.00000
    108      -1.8083      0.00000
    109      -1.5252      0.00000
    110      -1.3769      0.00000
    111      -1.3216      0.00000
    112      -1.2883      0.00000
    113      -0.7206      0.00000
    114      -0.3764      0.00000
    115      -0.2492      0.00000
    116       0.0382      0.00000
    117       0.5452      0.00000
    118       0.6967      0.00000
    119       0.7444      0.00000
    120       1.0455      0.00000
    121       1.0984      0.00000
    122       1.1427      0.00000
    123       1.2241      0.00000
    124       1.3653      0.00000
    125       1.5104      0.00000
    126       1.5593      0.00000
    127       1.7029      0.00000
    128       1.8065      0.00000
    129       1.8549      0.00000
    130       1.8777      0.00000
    131       2.0847      0.00000
    132       2.1653      0.00000
    133       2.2258      0.00000
    134       2.2829      0.00000
    135       2.4906      0.00000
    136       2.5602      0.00000
    137       2.6342      0.00000
    138       2.7617      0.00000
    139       2.7828      0.00000
    140       2.8210      0.00000
    141       2.8562      0.00000
    142       2.8795      0.00000
    143       2.9347      0.00000
    144       3.0467      0.00000
    145       3.1313      0.00000
    146       3.2887      0.00000
    147       3.3787      0.00000
    148       3.4267      0.00000
    149       3.4485      0.00000
    150       3.5956      0.00000
    151       3.6326      0.00000
    152       3.6532      0.00000
    153       3.6983      0.00000
    154       3.8829      0.00000
    155       3.9343      0.00000
    156       3.9946      0.00000
    157       4.0436      0.00000
    158       4.2112      0.00000
    159       4.2325      0.00000
    160       4.2515      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2798      1.00000
      2     -22.0741      1.00000
      3     -21.7128      1.00000
      4     -21.6808      1.00000
      5     -20.9758      1.00000
      6     -20.9350      1.00000
      7     -20.6083      1.00000
      8     -20.5716      1.00000
      9     -20.5652      1.00000
     10     -20.0292      1.00000
     11     -19.4997      1.00000
     12     -19.4880      1.00000
     13     -19.3031      1.00000
     14     -19.2980      1.00000
     15     -18.4447      1.00000
     16     -18.4079      1.00000
     17     -17.9194      1.00000
     18     -17.9095      1.00000
     19     -17.7589      1.00000
     20     -17.7229      1.00000
     21     -17.4332      1.00000
     22     -17.4252      1.00000
     23     -17.3385      1.00000
     24     -16.4598      1.00000
     25     -16.4585      1.00000
     26     -15.9641      1.00000
     27     -15.4098      1.00000
     28     -15.4059      1.00000
     29     -15.0924      1.00000
     30     -15.0902      1.00000
     31     -14.8524      1.00000
     32     -14.8450      1.00000
     33     -14.2882      1.00000
     34     -14.2553      1.00000
     35     -13.4348      1.00000
     36     -13.4022      1.00000
     37     -13.1751      1.00000
     38     -13.1705      1.00000
     39     -12.9783      1.00000
     40     -12.9733      1.00000
     41     -12.6111      1.00000
     42     -12.6062      1.00000
     43     -12.1962      1.00000
     44     -11.5724      1.00000
     45     -11.5385      1.00000
     46     -11.3066      1.00000
     47     -11.2837      1.00000
     48     -11.1407      1.00000
     49     -10.6737      1.00000
     50     -10.6586      1.00000
     51     -10.5514      1.00000
     52     -10.3226      1.00000
     53     -10.3140      1.00000
     54     -10.1666      1.00000
     55     -10.1139      1.00000
     56     -10.1091      1.00000
     57      -9.7956      1.00000
     58      -9.7646      1.00000
     59      -9.7481      1.00000
     60      -9.6969      1.00000
     61      -9.6955      1.00000
     62      -9.6594      1.00000
     63      -9.3541      1.00000
     64      -9.3473      1.00000
     65      -9.3113      1.00000
     66      -9.0393      1.00000
     67      -8.9613      1.00000
     68      -8.9461      1.00000
     69      -8.7973      1.00000
     70      -8.5913      1.00000
     71      -8.5555      1.00000
     72      -8.3965      1.00000
     73      -8.3629      1.00000
     74      -8.3223      1.00000
     75      -8.3048      1.00000
     76      -8.2570      1.00000
     77      -8.2542      1.00000
     78      -8.2326      1.00000
     79      -7.9033      1.00000
     80      -7.6508      1.00000
     81      -7.5497      1.00000
     82      -7.3853      1.00000
     83      -7.3479      1.00000
     84      -7.2302      1.00000
     85      -7.0944      1.00000
     86      -7.0370      1.00000
     87      -6.9320      1.00000
     88      -6.8467      1.00000
     89      -6.6095      1.00000
     90      -6.5583      1.00000
     91      -6.2668      1.00000
     92      -6.0428      1.00000
     93      -5.9502      1.00000
     94      -5.6618      1.00000
     95      -5.6208      1.00000
     96      -5.4627      1.00000
     97      -5.3193      1.00000
     98      -5.2775      1.00000
     99      -5.2130      1.00000
    100      -5.1921      1.00000
    101      -4.5089      1.00000
    102      -4.2103      1.00000
    103      -4.0594      1.00000
    104      -3.9884      1.00000
    105      -3.6944      1.00000
    106      -3.5007      1.00000
    107      -1.9467      0.00000
    108      -1.8959      0.00000
    109      -1.3403      0.00000
    110      -1.0852      0.00000
    111      -1.0574      0.00000
    112      -0.8008      0.00000
    113      -0.6767      0.00000
    114      -0.6475      0.00000
    115      -0.6078      0.00000
    116      -0.1073      0.00000
    117       0.2145      0.00000
    118       0.3296      0.00000
    119       0.6826      0.00000
    120       0.8786      0.00000
    121       1.1242      0.00000
    122       1.1969      0.00000
    123       1.3158      0.00000
    124       1.4065      0.00000
    125       1.5476      0.00000
    126       1.5721      0.00000
    127       1.6584      0.00000
    128       1.7958      0.00000
    129       1.8601      0.00000
    130       2.0335      0.00000
    131       2.1191      0.00000
    132       2.3228      0.00000
    133       2.3575      0.00000
    134       2.3733      0.00000
    135       2.5196      0.00000
    136       2.6154      0.00000
    137       2.7111      0.00000
    138       2.7545      0.00000
    139       2.8223      0.00000
    140       2.8649      0.00000
    141       3.0284      0.00000
    142       3.0390      0.00000
    143       3.1368      0.00000
    144       3.2423      0.00000
    145       3.3400      0.00000
    146       3.3938      0.00000
    147       3.4079      0.00000
    148       3.5536      0.00000
    149       3.5661      0.00000
    150       3.5802      0.00000
    151       3.6460      0.00000
    152       3.6581      0.00000
    153       3.7610      0.00000
    154       3.7794      0.00000
    155       3.8006      0.00000
    156       3.8734      0.00000
    157       3.8976      0.00000
    158       3.9681      0.00000
    159       4.1880      0.00000
    160       4.2067      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3137      1.00000
      2     -21.9591      1.00000
      3     -21.8896      1.00000
      4     -21.3771      1.00000
      5     -21.3476      1.00000
      6     -20.8364      1.00000
      7     -20.7708      1.00000
      8     -20.6208      1.00000
      9     -20.0738      1.00000
     10     -20.0680      1.00000
     11     -19.7135      1.00000
     12     -19.6888      1.00000
     13     -18.9931      1.00000
     14     -18.9871      1.00000
     15     -18.6369      1.00000
     16     -18.6208      1.00000
     17     -18.4596      1.00000
     18     -17.6732      1.00000
     19     -17.6223      1.00000
     20     -17.6197      1.00000
     21     -17.5777      1.00000
     22     -17.1234      1.00000
     23     -17.1018      1.00000
     24     -16.9590      1.00000
     25     -15.9990      1.00000
     26     -15.9244      1.00000
     27     -15.5830      1.00000
     28     -15.5827      1.00000
     29     -15.2834      1.00000
     30     -14.8615      1.00000
     31     -14.8341      1.00000
     32     -14.5773      1.00000
     33     -14.5353      1.00000
     34     -14.1643      1.00000
     35     -14.1507      1.00000
     36     -13.1462      1.00000
     37     -13.0982      1.00000
     38     -13.0280      1.00000
     39     -13.0180      1.00000
     40     -12.7075      1.00000
     41     -12.7033      1.00000
     42     -12.3374      1.00000
     43     -12.3060      1.00000
     44     -11.6322      1.00000
     45     -11.6184      1.00000
     46     -11.5676      1.00000
     47     -10.9456      1.00000
     48     -10.9123      1.00000
     49     -10.6313      1.00000
     50     -10.6235      1.00000
     51     -10.5457      1.00000
     52     -10.4956      1.00000
     53     -10.4955      1.00000
     54     -10.4386      1.00000
     55     -10.3599      1.00000
     56     -10.0972      1.00000
     57      -9.9008      1.00000
     58      -9.6084      1.00000
     59      -9.5559      1.00000
     60      -9.4499      1.00000
     61      -9.4082      1.00000
     62      -9.4024      1.00000
     63      -9.3760      1.00000
     64      -9.3760      1.00000
     65      -9.2849      1.00000
     66      -9.1650      1.00000
     67      -9.1395      1.00000
     68      -9.1109      1.00000
     69      -8.8610      1.00000
     70      -8.8532      1.00000
     71      -8.8134      1.00000
     72      -8.5948      1.00000
     73      -8.4782      1.00000
     74      -8.1954      1.00000
     75      -8.1597      1.00000
     76      -8.0073      1.00000
     77      -7.9636      1.00000
     78      -7.8504      1.00000
     79      -7.8402      1.00000
     80      -7.7029      1.00000
     81      -7.6959      1.00000
     82      -7.6202      1.00000
     83      -7.4480      1.00000
     84      -7.2989      1.00000
     85      -7.2531      1.00000
     86      -6.9038      1.00000
     87      -6.8898      1.00000
     88      -6.5870      1.00000
     89      -6.5496      1.00000
     90      -6.4068      1.00000
     91      -6.2512      1.00000
     92      -6.2309      1.00000
     93      -6.2015      1.00000
     94      -6.0221      1.00000
     95      -5.5494      1.00000
     96      -5.4881      1.00000
     97      -5.3500      1.00000
     98      -5.2188      1.00000
     99      -4.9779      1.00000
    100      -4.7320      1.00000
    101      -4.6771      1.00000
    102      -4.3873      1.00000
    103      -4.2056      1.00000
    104      -3.8719      1.00000
    105      -3.5455      1.00000
    106      -3.5129      1.00000
    107      -2.2558      0.00000
    108      -1.4580      0.00000
    109      -1.3703      0.00000
    110      -1.2418      0.00000
    111      -1.0986      0.00000
    112      -0.9458      0.00000
    113      -0.8642      0.00000
    114      -0.8037      0.00000
    115      -0.1383      0.00000
    116       0.1119      0.00000
    117       0.2412      0.00000
    118       0.3778      0.00000
    119       0.6392      0.00000
    120       0.8337      0.00000
    121       0.9351      0.00000
    122       1.0550      0.00000
    123       1.2195      0.00000
    124       1.4392      0.00000
    125       1.5244      0.00000
    126       1.7637      0.00000
    127       1.7868      0.00000
    128       1.8609      0.00000
    129       1.9417      0.00000
    130       2.0339      0.00000
    131       2.1528      0.00000
    132       2.1851      0.00000
    133       2.3893      0.00000
    134       2.4569      0.00000
    135       2.5296      0.00000
    136       2.6023      0.00000
    137       2.6360      0.00000
    138       2.6793      0.00000
    139       2.7564      0.00000
    140       2.8085      0.00000
    141       2.9249      0.00000
    142       3.0591      0.00000
    143       3.1760      0.00000
    144       3.2038      0.00000
    145       3.2433      0.00000
    146       3.3047      0.00000
    147       3.3080      0.00000
    148       3.4431      0.00000
    149       3.4722      0.00000
    150       3.6822      0.00000
    151       3.6886      0.00000
    152       3.7094      0.00000
    153       3.8420      0.00000
    154       3.8949      0.00000
    155       3.9196      0.00000
    156       3.9699      0.00000
    157       4.0039      0.00000
    158       4.0250      0.00000
    159       4.0512      0.00000
    160       4.0578      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2069      1.00000
      2     -22.1136      1.00000
      3     -21.9529      1.00000
      4     -21.4006      1.00000
      5     -21.0462      1.00000
      6     -21.0102      1.00000
      7     -20.4972      1.00000
      8     -20.4576      1.00000
      9     -20.2916      1.00000
     10     -20.2722      1.00000
     11     -19.9539      1.00000
     12     -19.8881      1.00000
     13     -18.8791      1.00000
     14     -18.8102      1.00000
     15     -18.3501      1.00000
     16     -18.3037      1.00000
     17     -18.1501      1.00000
     18     -18.1326      1.00000
     19     -17.8241      1.00000
     20     -17.7863      1.00000
     21     -17.2495      1.00000
     22     -17.2386      1.00000
     23     -17.1626      1.00000
     24     -17.1296      1.00000
     25     -16.1071      1.00000
     26     -15.8814      1.00000
     27     -15.8667      1.00000
     28     -15.8314      1.00000
     29     -15.2343      1.00000
     30     -14.5518      1.00000
     31     -14.5239      1.00000
     32     -14.2780      1.00000
     33     -13.9620      1.00000
     34     -13.9543      1.00000
     35     -13.8185      1.00000
     36     -13.8026      1.00000
     37     -13.6121      1.00000
     38     -13.5679      1.00000
     39     -13.3661      1.00000
     40     -12.6313      1.00000
     41     -12.1785      1.00000
     42     -12.1302      1.00000
     43     -12.0682      1.00000
     44     -12.0158      1.00000
     45     -11.6684      1.00000
     46     -11.6548      1.00000
     47     -11.1365      1.00000
     48     -11.1157      1.00000
     49     -10.7910      1.00000
     50     -10.7271      1.00000
     51     -10.5276      1.00000
     52     -10.2084      1.00000
     53     -10.2020      1.00000
     54     -10.1619      1.00000
     55     -10.0160      1.00000
     56     -10.0019      1.00000
     57      -9.9879      1.00000
     58      -9.7994      1.00000
     59      -9.7953      1.00000
     60      -9.7606      1.00000
     61      -9.7555      1.00000
     62      -9.4508      1.00000
     63      -9.4151      1.00000
     64      -9.0784      1.00000
     65      -9.0713      1.00000
     66      -9.0384      1.00000
     67      -8.9530      1.00000
     68      -8.8751      1.00000
     69      -8.7106      1.00000
     70      -8.6980      1.00000
     71      -8.5627      1.00000
     72      -8.5394      1.00000
     73      -8.4972      1.00000
     74      -8.4615      1.00000
     75      -8.4501      1.00000
     76      -8.2585      1.00000
     77      -8.1238      1.00000
     78      -8.0414      1.00000
     79      -7.9142      1.00000
     80      -7.8620      1.00000
     81      -7.6132      1.00000
     82      -7.5466      1.00000
     83      -7.4883      1.00000
     84      -7.2687      1.00000
     85      -6.9949      1.00000
     86      -6.9222      1.00000
     87      -6.8811      1.00000
     88      -6.5300      1.00000
     89      -6.4844      1.00000
     90      -6.4595      1.00000
     91      -6.4082      1.00000
     92      -5.9830      1.00000
     93      -5.8963      1.00000
     94      -5.7835      1.00000
     95      -5.7577      1.00000
     96      -5.4316      1.00000
     97      -5.3284      1.00000
     98      -5.2291      1.00000
     99      -5.2169      1.00000
    100      -5.1866      1.00000
    101      -4.6915      1.00000
    102      -4.4214      1.00000
    103      -4.2122      1.00000
    104      -3.8353      1.00000
    105      -3.5320      1.00000
    106      -3.2735      1.00000
    107      -2.5309      0.00000
    108      -1.4594      0.00000
    109      -1.2663      0.00000
    110      -1.2029      0.00000
    111      -1.1723      0.00000
    112      -0.7203      0.00000
    113      -0.5040      0.00000
    114      -0.4122      0.00000
    115      -0.3394      0.00000
    116      -0.1463      0.00000
    117      -0.0038      0.00000
    118       0.1947      0.00000
    119       0.5612      0.00000
    120       0.6111      0.00000
    121       0.7856      0.00000
    122       0.8959      0.00000
    123       1.1200      0.00000
    124       1.4737      0.00000
    125       1.6215      0.00000
    126       1.8217      0.00000
    127       1.9080      0.00000
    128       2.0834      0.00000
    129       2.0972      0.00000
    130       2.1474      0.00000
    131       2.1870      0.00000
    132       2.2774      0.00000
    133       2.3335      0.00000
    134       2.4660      0.00000
    135       2.5729      0.00000
    136       2.6396      0.00000
    137       2.8348      0.00000
    138       2.8668      0.00000
    139       2.8829      0.00000
    140       2.9912      0.00000
    141       3.0031      0.00000
    142       3.1220      0.00000
    143       3.1755      0.00000
    144       3.2175      0.00000
    145       3.2590      0.00000
    146       3.2686      0.00000
    147       3.2931      0.00000
    148       3.3341      0.00000
    149       3.3985      0.00000
    150       3.4166      0.00000
    151       3.5227      0.00000
    152       3.6021      0.00000
    153       3.7021      0.00000
    154       3.7175      0.00000
    155       3.7494      0.00000
    156       3.8805      0.00000
    157       3.9182      0.00000
    158       3.9830      0.00000
    159       4.0984      0.00000
    160       4.1930      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3135      1.00000
      2     -21.9606      1.00000
      3     -21.8882      1.00000
      4     -21.3810      1.00000
      5     -21.3445      1.00000
      6     -20.8358      1.00000
      7     -20.7692      1.00000
      8     -20.6212      1.00000
      9     -20.0863      1.00000
     10     -20.0574      1.00000
     11     -19.7149      1.00000
     12     -19.6860      1.00000
     13     -19.0067      1.00000
     14     -18.9754      1.00000
     15     -18.6469      1.00000
     16     -18.6140      1.00000
     17     -18.4571      1.00000
     18     -17.6576      1.00000
     19     -17.6434      1.00000
     20     -17.6074      1.00000
     21     -17.5746      1.00000
     22     -17.1347      1.00000
     23     -17.0945      1.00000
     24     -16.9635      1.00000
     25     -16.0059      1.00000
     26     -15.9202      1.00000
     27     -15.5954      1.00000
     28     -15.5718      1.00000
     29     -15.2774      1.00000
     30     -14.8738      1.00000
     31     -14.8266      1.00000
     32     -14.5716      1.00000
     33     -14.5339      1.00000
     34     -14.1619      1.00000
     35     -14.1576      1.00000
     36     -13.1597      1.00000
     37     -13.0920      1.00000
     38     -13.0198      1.00000
     39     -13.0156      1.00000
     40     -12.7150      1.00000
     41     -12.6915      1.00000
     42     -12.3376      1.00000
     43     -12.3103      1.00000
     44     -11.6302      1.00000
     45     -11.6208      1.00000
     46     -11.5672      1.00000
     47     -10.9384      1.00000
     48     -10.9202      1.00000
     49     -10.6672      1.00000
     50     -10.5868      1.00000
     51     -10.5712      1.00000
     52     -10.4993      1.00000
     53     -10.4858      1.00000
     54     -10.4366      1.00000
     55     -10.3522      1.00000
     56     -10.1015      1.00000
     57      -9.8951      1.00000
     58      -9.6048      1.00000
     59      -9.5474      1.00000
     60      -9.4521      1.00000
     61      -9.4175      1.00000
     62      -9.4057      1.00000
     63      -9.3758      1.00000
     64      -9.3686      1.00000
     65      -9.2652      1.00000
     66      -9.1641      1.00000
     67      -9.1400      1.00000
     68      -9.1136      1.00000
     69      -8.8644      1.00000
     70      -8.8578      1.00000
     71      -8.8005      1.00000
     72      -8.5941      1.00000
     73      -8.5250      1.00000
     74      -8.1915      1.00000
     75      -8.1684      1.00000
     76      -8.0744      1.00000
     77      -7.8551      1.00000
     78      -7.8346      1.00000
     79      -7.8214      1.00000
     80      -7.7088      1.00000
     81      -7.6937      1.00000
     82      -7.5957      1.00000
     83      -7.5298      1.00000
     84      -7.3486      1.00000
     85      -7.1673      1.00000
     86      -6.9040      1.00000
     87      -6.8935      1.00000
     88      -6.5913      1.00000
     89      -6.5494      1.00000
     90      -6.4034      1.00000
     91      -6.3010      1.00000
     92      -6.2461      1.00000
     93      -6.2002      1.00000
     94      -6.0023      1.00000
     95      -5.5310      1.00000
     96      -5.4635      1.00000
     97      -5.3130      1.00000
     98      -5.2079      1.00000
     99      -5.0466      1.00000
    100      -4.7233      1.00000
    101      -4.6707      1.00000
    102      -4.4241      1.00000
    103      -4.1970      1.00000
    104      -3.8439      1.00000
    105      -3.6355      1.00000
    106      -3.4175      1.00000
    107      -2.2925      0.00000
    108      -1.5104      0.00000
    109      -1.2701      0.00000
    110      -1.2623      0.00000
    111      -1.0349      0.00000
    112      -0.9767      0.00000
    113      -0.8681      0.00000
    114      -0.7998      0.00000
    115      -0.2612      0.00000
    116       0.2032      0.00000
    117       0.2386      0.00000
    118       0.3598      0.00000
    119       0.6797      0.00000
    120       0.8927      0.00000
    121       0.9218      0.00000
    122       1.0318      0.00000
    123       1.1569      0.00000
    124       1.4979      0.00000
    125       1.5347      0.00000
    126       1.6977      0.00000
    127       1.7750      0.00000
    128       1.8272      0.00000
    129       1.9452      0.00000
    130       1.9655      0.00000
    131       2.1772      0.00000
    132       2.2352      0.00000
    133       2.3922      0.00000
    134       2.4616      0.00000
    135       2.5297      0.00000
    136       2.5954      0.00000
    137       2.6157      0.00000
    138       2.6818      0.00000
    139       2.7382      0.00000
    140       2.8368      0.00000
    141       3.0173      0.00000
    142       3.0580      0.00000
    143       3.1725      0.00000
    144       3.2326      0.00000
    145       3.2447      0.00000
    146       3.2813      0.00000
    147       3.3301      0.00000
    148       3.4265      0.00000
    149       3.4948      0.00000
    150       3.6753      0.00000
    151       3.7115      0.00000
    152       3.7157      0.00000
    153       3.8124      0.00000
    154       3.8750      0.00000
    155       3.9071      0.00000
    156       3.9624      0.00000
    157       3.9955      0.00000
    158       4.0337      0.00000
    159       4.0348      0.00000
    160       4.0821      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3856      1.00000
      2     -21.8269      1.00000
      3     -21.6377      1.00000
      4     -21.6027      1.00000
      5     -21.2751      1.00000
      6     -21.2280      1.00000
      7     -21.0524      1.00000
      8     -20.1678      1.00000
      9     -20.1215      1.00000
     10     -19.6138      1.00000
     11     -19.5878      1.00000
     12     -19.4117      1.00000
     13     -19.0912      1.00000
     14     -19.0526      1.00000
     15     -19.0484      1.00000
     16     -19.0352      1.00000
     17     -18.3637      1.00000
     18     -18.3441      1.00000
     19     -18.0129      1.00000
     20     -17.0692      1.00000
     21     -17.0201      1.00000
     22     -16.9468      1.00000
     23     -16.9331      1.00000
     24     -16.4729      1.00000
     25     -16.4607      1.00000
     26     -15.6070      1.00000
     27     -15.6065      1.00000
     28     -15.2469      1.00000
     29     -15.2350      1.00000
     30     -15.1871      1.00000
     31     -15.0971      1.00000
     32     -15.0642      1.00000
     33     -14.6960      1.00000
     34     -14.6952      1.00000
     35     -13.7228      1.00000
     36     -13.7227      1.00000
     37     -13.2309      1.00000
     38     -12.6211      1.00000
     39     -12.5770      1.00000
     40     -12.4503      1.00000
     41     -12.4450      1.00000
     42     -12.1031      1.00000
     43     -12.0984      1.00000
     44     -11.7203      1.00000
     45     -11.6816      1.00000
     46     -11.2435      1.00000
     47     -11.2229      1.00000
     48     -11.0135      1.00000
     49     -11.0018      1.00000
     50     -10.9257      1.00000
     51     -10.8970      1.00000
     52     -10.6353      1.00000
     53     -10.1688      1.00000
     54     -10.1454      1.00000
     55     -10.0807      1.00000
     56      -9.9899      1.00000
     57      -9.6932      1.00000
     58      -9.6867      1.00000
     59      -9.6678      1.00000
     60      -9.5901      1.00000
     61      -9.5661      1.00000
     62      -9.5514      1.00000
     63      -9.3092      1.00000
     64      -9.2959      1.00000
     65      -9.2805      1.00000
     66      -9.2428      1.00000
     67      -9.1196      1.00000
     68      -9.1086      1.00000
     69      -9.1070      1.00000
     70      -8.9370      1.00000
     71      -8.8751      1.00000
     72      -8.6043      1.00000
     73      -8.5854      1.00000
     74      -8.2705      1.00000
     75      -8.0975      1.00000
     76      -7.8675      1.00000
     77      -7.8413      1.00000
     78      -7.7896      1.00000
     79      -7.7618      1.00000
     80      -7.7524      1.00000
     81      -7.4479      1.00000
     82      -7.3312      1.00000
     83      -7.3198      1.00000
     84      -7.2648      1.00000
     85      -7.1607      1.00000
     86      -7.0152      1.00000
     87      -6.9847      1.00000
     88      -6.7164      1.00000
     89      -6.6889      1.00000
     90      -6.6297      1.00000
     91      -6.5888      1.00000
     92      -6.1139      1.00000
     93      -6.0586      1.00000
     94      -6.0431      1.00000
     95      -6.0284      1.00000
     96      -5.7460      1.00000
     97      -4.9747      1.00000
     98      -4.8390      1.00000
     99      -4.7076      1.00000
    100      -4.6720      1.00000
    101      -4.4837      1.00000
    102      -4.3543      1.00000
    103      -4.1117      1.00000
    104      -4.0561      1.00000
    105      -3.7556      1.00000
    106      -3.4679      1.00000
    107      -1.9513      0.00000
    108      -1.7712      0.00000
    109      -1.4800      0.00000
    110      -1.3560      0.00000
    111      -1.3355      0.00000
    112      -1.2922      0.00000
    113      -0.6777      0.00000
    114      -0.4720      0.00000
    115      -0.2365      0.00000
    116       0.0523      0.00000
    117       0.5747      0.00000
    118       0.6909      0.00000
    119       0.7689      0.00000
    120       1.0214      0.00000
    121       1.0959      0.00000
    122       1.1726      0.00000
    123       1.2455      0.00000
    124       1.3258      0.00000
    125       1.4151      0.00000
    126       1.5743      0.00000
    127       1.7544      0.00000
    128       1.8340      0.00000
    129       1.8580      0.00000
    130       1.8805      0.00000
    131       2.0392      0.00000
    132       2.1993      0.00000
    133       2.2078      0.00000
    134       2.2585      0.00000
    135       2.4628      0.00000
    136       2.5937      0.00000
    137       2.6372      0.00000
    138       2.7211      0.00000
    139       2.7728      0.00000
    140       2.8330      0.00000
    141       2.8389      0.00000
    142       2.8684      0.00000
    143       2.9400      0.00000
    144       3.0490      0.00000
    145       3.2862      0.00000
    146       3.3438      0.00000
    147       3.3944      0.00000
    148       3.4095      0.00000
    149       3.4111      0.00000
    150       3.5737      0.00000
    151       3.6399      0.00000
    152       3.6543      0.00000
    153       3.7123      0.00000
    154       3.8792      0.00000
    155       3.8963      0.00000
    156       3.9360      0.00000
    157       4.0826      0.00000
    158       4.1812      0.00000
    159       4.2298      0.00000
    160       4.2647      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2060      1.00000
      2     -22.1148      1.00000
      3     -21.9527      1.00000
      4     -21.4010      1.00000
      5     -21.0423      1.00000
      6     -21.0138      1.00000
      7     -20.4925      1.00000
      8     -20.4623      1.00000
      9     -20.2822      1.00000
     10     -20.2802      1.00000
     11     -19.9535      1.00000
     12     -19.8901      1.00000
     13     -18.8806      1.00000
     14     -18.8128      1.00000
     15     -18.3340      1.00000
     16     -18.3148      1.00000
     17     -18.1458      1.00000
     18     -18.1383      1.00000
     19     -17.8122      1.00000
     20     -17.7941      1.00000
     21     -17.2556      1.00000
     22     -17.2359      1.00000
     23     -17.1570      1.00000
     24     -17.1331      1.00000
     25     -16.1112      1.00000
     26     -15.8778      1.00000
     27     -15.8666      1.00000
     28     -15.8385      1.00000
     29     -15.2283      1.00000
     30     -14.5490      1.00000
     31     -14.5304      1.00000
     32     -14.2734      1.00000
     33     -13.9709      1.00000
     34     -13.9471      1.00000
     35     -13.8218      1.00000
     36     -13.7993      1.00000
     37     -13.6018      1.00000
     38     -13.5763      1.00000
     39     -13.3655      1.00000
     40     -12.6341      1.00000
     41     -12.1671      1.00000
     42     -12.1405      1.00000
     43     -12.0657      1.00000
     44     -12.0186      1.00000
     45     -11.6608      1.00000
     46     -11.6559      1.00000
     47     -11.1354      1.00000
     48     -11.1243      1.00000
     49     -10.7895      1.00000
     50     -10.7331      1.00000
     51     -10.5345      1.00000
     52     -10.2043      1.00000
     53     -10.1980      1.00000
     54     -10.1675      1.00000
     55     -10.0192      1.00000
     56      -9.9913      1.00000
     57      -9.9862      1.00000
     58      -9.8013      1.00000
     59      -9.7918      1.00000
     60      -9.7624      1.00000
     61      -9.7549      1.00000
     62      -9.4541      1.00000
     63      -9.4155      1.00000
     64      -9.0815      1.00000
     65      -9.0422      1.00000
     66      -9.0232      1.00000
     67      -8.9691      1.00000
     68      -8.8956      1.00000
     69      -8.7045      1.00000
     70      -8.6952      1.00000
     71      -8.5599      1.00000
     72      -8.5487      1.00000
     73      -8.4762      1.00000
     74      -8.4571      1.00000
     75      -8.4542      1.00000
     76      -8.3068      1.00000
     77      -8.0930      1.00000
     78      -8.0869      1.00000
     79      -7.9231      1.00000
     80      -7.8300      1.00000
     81      -7.5992      1.00000
     82      -7.5370      1.00000
     83      -7.4420      1.00000
     84      -7.3162      1.00000
     85      -6.9904      1.00000
     86      -6.9157      1.00000
     87      -6.8784      1.00000
     88      -6.5277      1.00000
     89      -6.5141      1.00000
     90      -6.4804      1.00000
     91      -6.4192      1.00000
     92      -5.9255      1.00000
     93      -5.9037      1.00000
     94      -5.7873      1.00000
     95      -5.7735      1.00000
     96      -5.3682      1.00000
     97      -5.3619      1.00000
     98      -5.2186      1.00000
     99      -5.2142      1.00000
    100      -5.1977      1.00000
    101      -4.7205      1.00000
    102      -4.4428      1.00000
    103      -4.1931      1.00000
    104      -3.8216      1.00000
    105      -3.5680      1.00000
    106      -3.2214      1.00000
    107      -2.5623      0.00000
    108      -1.4645      0.00000
    109      -1.2658      0.00000
    110      -1.1854      0.00000
    111      -1.1843      0.00000
    112      -0.6452      0.00000
    113      -0.5515      0.00000
    114      -0.4152      0.00000
    115      -0.3485      0.00000
    116      -0.0775      0.00000
    117      -0.0631      0.00000
    118       0.1269      0.00000
    119       0.5918      0.00000
    120       0.6247      0.00000
    121       0.8438      0.00000
    122       0.9721      0.00000
    123       0.9945      0.00000
    124       1.4845      0.00000
    125       1.6680      0.00000
    126       1.7306      0.00000
    127       1.8347      0.00000
    128       2.0862      0.00000
    129       2.1431      0.00000
    130       2.1814      0.00000
    131       2.2073      0.00000
    132       2.2541      0.00000
    133       2.3452      0.00000
    134       2.4805      0.00000
    135       2.5137      0.00000
    136       2.6424      0.00000
    137       2.8513      0.00000
    138       2.8540      0.00000
    139       2.9372      0.00000
    140       2.9803      0.00000
    141       3.0135      0.00000
    142       3.1189      0.00000
    143       3.1892      0.00000
    144       3.2268      0.00000
    145       3.2300      0.00000
    146       3.2695      0.00000
    147       3.2923      0.00000
    148       3.3410      0.00000
    149       3.3879      0.00000
    150       3.5223      0.00000
    151       3.5460      0.00000
    152       3.6271      0.00000
    153       3.6386      0.00000
    154       3.6976      0.00000
    155       3.7166      0.00000
    156       3.8821      0.00000
    157       3.9373      0.00000
    158       4.0095      0.00000
    159       4.0447      0.00000
    160       4.1527      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2793      1.00000
      2     -22.0746      1.00000
      3     -21.7165      1.00000
      4     -21.6772      1.00000
      5     -20.9791      1.00000
      6     -20.9312      1.00000
      7     -20.6077      1.00000
      8     -20.5751      1.00000
      9     -20.5618      1.00000
     10     -20.0282      1.00000
     11     -19.5103      1.00000
     12     -19.4803      1.00000
     13     -19.3082      1.00000
     14     -19.2953      1.00000
     15     -18.4460      1.00000
     16     -18.4028      1.00000
     17     -17.9245      1.00000
     18     -17.9042      1.00000
     19     -17.7624      1.00000
     20     -17.7174      1.00000
     21     -17.4386      1.00000
     22     -17.4203      1.00000
     23     -17.3348      1.00000
     24     -16.4690      1.00000
     25     -16.4585      1.00000
     26     -15.9654      1.00000
     27     -15.4086      1.00000
     28     -15.4077      1.00000
     29     -15.0937      1.00000
     30     -15.0905      1.00000
     31     -14.8504      1.00000
     32     -14.8383      1.00000
     33     -14.2939      1.00000
     34     -14.2502      1.00000
     35     -13.4407      1.00000
     36     -13.3968      1.00000
     37     -13.1729      1.00000
     38     -13.1717      1.00000
     39     -12.9808      1.00000
     40     -12.9720      1.00000
     41     -12.6085      1.00000
     42     -12.6067      1.00000
     43     -12.1925      1.00000
     44     -11.5782      1.00000
     45     -11.5369      1.00000
     46     -11.3117      1.00000
     47     -11.2814      1.00000
     48     -11.1378      1.00000
     49     -10.6911      1.00000
     50     -10.6617      1.00000
     51     -10.5455      1.00000
     52     -10.3181      1.00000
     53     -10.3104      1.00000
     54     -10.1730      1.00000
     55     -10.1202      1.00000
     56     -10.1065      1.00000
     57      -9.8090      1.00000
     58      -9.7489      1.00000
     59      -9.7481      1.00000
     60      -9.6980      1.00000
     61      -9.6942      1.00000
     62      -9.6442      1.00000
     63      -9.3488      1.00000
     64      -9.3472      1.00000
     65      -9.3177      1.00000
     66      -9.0261      1.00000
     67      -8.9581      1.00000
     68      -8.9543      1.00000
     69      -8.7729      1.00000
     70      -8.5916      1.00000
     71      -8.5869      1.00000
     72      -8.4215      1.00000
     73      -8.3473      1.00000
     74      -8.3209      1.00000
     75      -8.2989      1.00000
     76      -8.2641      1.00000
     77      -8.2533      1.00000
     78      -8.2387      1.00000
     79      -7.9198      1.00000
     80      -7.7330      1.00000
     81      -7.3758      1.00000
     82      -7.3464      1.00000
     83      -7.3247      1.00000
     84      -7.2138      1.00000
     85      -7.1590      1.00000
     86      -7.0634      1.00000
     87      -6.9593      1.00000
     88      -6.9034      1.00000
     89      -6.6139      1.00000
     90      -6.5526      1.00000
     91      -6.2716      1.00000
     92      -5.9949      1.00000
     93      -5.9576      1.00000
     94      -5.6741      1.00000
     95      -5.6476      1.00000
     96      -5.3862      1.00000
     97      -5.3134      1.00000
     98      -5.2926      1.00000
     99      -5.2106      1.00000
    100      -5.1991      1.00000
    101      -4.5120      1.00000
    102      -4.3413      1.00000
    103      -3.9968      1.00000
    104      -3.8862      1.00000
    105      -3.7936      1.00000
    106      -3.4456      1.00000
    107      -2.0350      0.00000
    108      -1.8633      0.00000
    109      -1.2185      0.00000
    110      -1.1827      0.00000
    111      -1.0365      0.00000
    112      -0.7730      0.00000
    113      -0.6770      0.00000
    114      -0.6608      0.00000
    115      -0.6096      0.00000
    116      -0.1009      0.00000
    117       0.2222      0.00000
    118       0.2402      0.00000
    119       0.7566      0.00000
    120       0.9726      0.00000
    121       1.0706      0.00000
    122       1.2372      0.00000
    123       1.2474      0.00000
    124       1.3309      0.00000
    125       1.5674      0.00000
    126       1.5826      0.00000
    127       1.6776      0.00000
    128       1.7838      0.00000
    129       1.9263      0.00000
    130       1.9284      0.00000
    131       2.0844      0.00000
    132       2.2944      0.00000
    133       2.3359      0.00000
    134       2.3974      0.00000
    135       2.5186      0.00000
    136       2.6130      0.00000
    137       2.7638      0.00000
    138       2.8239      0.00000
    139       2.8264      0.00000
    140       2.8516      0.00000
    141       3.0269      0.00000
    142       3.0820      0.00000
    143       3.1264      0.00000
    144       3.1966      0.00000
    145       3.3557      0.00000
    146       3.3982      0.00000
    147       3.4802      0.00000
    148       3.5189      0.00000
    149       3.5787      0.00000
    150       3.5961      0.00000
    151       3.6205      0.00000
    152       3.7213      0.00000
    153       3.7231      0.00000
    154       3.7604      0.00000
    155       3.8122      0.00000
    156       3.8573      0.00000
    157       3.9941      0.00000
    158       4.0663      0.00000
    159       4.1465      0.00000
    160       4.1796      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0438   -7.3904    4.1991   -1.2765   -0.2389   17.5963    0.1474   -0.5325    0.6340   -0.4650
x    -3.0913   -0.0374   -0.0632    0.0617   -0.0091   -2.9778   -0.0111   -0.0070    0.0049    0.0016
x    -0.0965    0.0016   -0.0013    0.0004    0.0003   -0.0237   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0438    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0942   -0.0087    0.0375    0.0377
y    -0.0460   -3.2461   -0.5382   -0.1635   -1.1812   -0.6056
z   204.0438    1.1263   -0.2799    0.0409    0.0091    0.0617    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0775    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1341
z    -0.2840    0.1863   -0.0387    0.0473   -0.1052    0.0013
 total charge-density along one line
x   212.0000  -10.2199    6.1468   -2.0864   -0.4747   19.5170   -0.9963    0.4748   -0.0452   -0.1260
x    -2.6446   -0.0277   -0.0611    0.0846   -0.0533   -2.2244   -0.0251   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0355   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2199    6.1468   -2.0864   -0.4747   19.5170   -0.9963    0.4748   -0.0452   -0.1260
y    -2.6446   -0.0277   -0.0611    0.0846   -0.0533   -2.2244   -0.0251   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0355   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4936  189.2935 -170.3644  153.6348 -139.4072  125.3942 -110.0782   93.9333  -78.3231
z    64.1186  -51.4715   40.4098  -31.2047   24.1065  -18.9228   15.0116  -11.7036    8.7044   -6.1131
z     4.1241   -2.7528    1.8165   -1.1074    0.5373   -0.1248   -0.1133    0.2296   -0.3103    0.4003
z    -0.4767    0.4936   -0.4407    0.3556   -0.2864    0.2511   -0.2332    0.2085   -0.1708    0.1317
z    -0.1036    0.0879   -0.0767    0.0636   -0.0491    0.0374   -0.0308    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.103   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.157   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.836  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.103   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.157   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.836  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.050   0.000   0.008   0.057   0.000  -0.069   0.000  -0.025   0.078  -0.016   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.312   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.050   0.000   1.797   0.000  -0.024  -0.053   0.000   0.303   0.000   0.029  -0.191  -0.030   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.312   0.000   0.630   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.009   0.000   0.026   0.000   0.000
  0.057   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.132   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.312   0.000   0.000   0.158   0.000  -0.192   0.000   0.000   0.000   0.010   0.000  -0.051  -0.005
 -0.069   0.000   0.303   0.000   0.037  -0.132   0.000   0.416   0.000   0.077   0.586  -0.239   0.000   0.058   0.000   0.000
  0.000  -0.312   0.000   0.630   0.000   0.000  -0.192   0.000   0.380   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.041   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.586   0.000   0.164   1.369  -0.420   0.000   0.283   0.000   0.000
 -0.016   0.000  -0.030   0.000   0.009   0.082   0.000  -0.239   0.000  -0.047  -0.420   0.176   0.000  -0.033   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.010   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.033   0.000   0.264   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.645   0.262   8.029   8.936
  2        0.521   0.027   0.000   0.549
  3        0.521   0.027   0.000   0.549
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.647
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.864   1.783   0.000   2.646
 12        0.863   1.784   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.783   0.000   2.647
 15        0.864   1.784   0.000   2.647
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.648
 19        0.864   1.782   0.000   2.646
 20        0.864   1.783   0.000   2.646
 21        0.864   1.781   0.000   2.645
 22        0.864   1.770   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.782   0.000   2.646
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.782   0.000   2.646
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.781   0.000   2.645
 33        0.864   1.781   0.000   2.645
 34        0.864   1.782   0.000   2.646
 35        0.864   1.781   0.000   2.645
 36        0.864   1.770   0.000   2.634
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.646
 39        0.864   1.783   0.000   2.647
 40        0.863   1.785   0.000   2.648
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.647
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.646
 46        0.863   1.784   0.000   2.648
 47        0.864   1.783   0.000   2.646
 48        0.864   1.784   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.647
------------------------------------------------
tot       44.864  89.408   8.029 142.301
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time   90.22: CPU time   45.46
    FORLOC:  VPU time    1.09: CPU time    1.09
    FORNL :  VPU time  362.04: CPU time  181.34
    STRESS:  VPU time 1088.93: CPU time  547.05
    FORCOR:  VPU time    7.41: CPU time    7.41
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.14: CPU time    0.14
 d Force = 0.2201889E-04[-0.375E-04, 0.815E-04]  d Energy = 0.2622728E-03-0.240E-03
 d Force =-0.5245289E+00[-0.524E+00,-0.525E+00]  d Ewald  = 0.1440548E+02-0.149E+02


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726327 eV

  energy  without entropy=     -471.726327  energy(sigma->0) =     -471.726327
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40820.92  40775.62 -47518.61    -39.23      0.00      0.00
  Hartree  40245.65  40226.59 -39504.25    -16.50      0.00      0.00
  E(xc)     -779.41   -779.70   -807.35     -0.25      0.00      0.00
  Local   -83350.64 -83295.37  84337.58     47.87      0.00      0.00
  n-local   -216.72   -215.56   -203.26      0.73      0.00      0.00
  augment     20.07     22.05     17.81      1.72      0.00      0.00
  Kinetic   3162.12   3175.51   3583.48      3.24      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.34     -0.66     -0.67     -0.27      0.00      0.00
  in kB       -0.21     -0.40     -0.41     -0.17      0.00      0.00
  external pressure =       -0.34 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.346667801  0.001614064  0.000000000     0.080987402  0.046744051  0.000000000
    -6.171942723 10.693331078  0.000000000    -0.000012224  0.093509174  0.000000000
     0.000000000  0.000000000 19.979721171     0.000000000  0.000000000  0.050050749

  length of vectors
    12.346667906 12.346667831 19.979721171     0.093509174  0.093509174  0.050050749


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.459E-05 -.491E-04 -.951E+03   0.451E-05 -.279E-04 0.960E+03   -.424E-20 0.170E-20 -.867E+01   0.152E-06 -.897E-07 -.224E-01
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.155E+01 -.892E+00 -.253E+01   -.231E-02 0.133E-02 -.129E-02
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.155E+01 0.892E+00 -.253E+01   0.231E-02 -.133E-02 -.129E-02
   -.204E+01 0.118E+01 0.163E+02   0.203E+01 -.117E+01 -.163E+02   -.317E-02 0.183E-02 -.235E-01   0.814E-02 -.470E-02 0.397E-04
   0.617E+01 0.686E+01 0.194E+02   -.618E+01 -.688E+01 -.193E+02   0.562E-03 0.198E-01 -.275E-01   0.555E-02 -.242E-02 -.351E-03
   0.112E+02 0.508E+01 0.161E+02   -.112E+02 -.509E+01 -.161E+02   0.208E-01 0.835E-02 -.488E-01   0.585E-02 -.456E-02 -.631E-03
   0.473E+01 -.891E+00 0.125E+02   -.476E+01 0.904E+00 -.125E+02   0.148E-01 -.761E-02 -.191E-01   0.698E-02 -.361E-02 -.696E-03
   -.308E+01 -.254E+01 0.126E+02   0.307E+01 0.254E+01 -.126E+02   -.203E-02 0.287E-02 -.126E-01   0.753E-02 -.456E-02 -.211E-03
   0.659E+00 0.393E+01 0.126E+02   -.668E+00 -.393E+01 -.126E+02   -.350E-02 0.322E-03 -.126E-01   0.771E-02 -.425E-02 -.214E-03
   0.241E+01 0.188E+02 0.240E+02   -.242E+01 -.189E+02 -.240E+02   -.204E-02 0.106E+00 -.475E-01   0.616E-02 -.705E-02 -.836E-03
   0.227E+02 0.214E+02 0.422E+02   -.228E+02 -.216E+02 -.422E+02   0.758E-01 0.264E+00 -.606E-01   0.808E-02 -.448E-02 -.238E-02
   0.268E+02 -.344E+01 0.257E+02   -.271E+02 0.355E+01 -.256E+02   0.270E+00 -.109E+00 -.332E-01   0.558E-02 -.219E-02 0.259E-03
   0.915E+01 -.528E+01 0.136E+02   -.920E+01 0.531E+01 -.136E+02   0.411E-01 -.237E-01 -.120E-01   0.665E-02 -.385E-02 0.268E-03
   0.314E+01 -.365E+01 0.125E+02   -.316E+01 0.367E+01 -.125E+02   0.140E-01 -.898E-02 -.191E-01   0.662E-02 -.425E-02 -.704E-03
   -.591E+01 0.136E+02 0.162E+02   0.590E+01 -.137E+02 -.161E+02   -.259E-02 0.719E-01 -.508E-01   0.840E-02 -.329E-02 -.325E-03
   -.119E+02 0.363E+02 0.478E+02   0.119E+02 -.369E+02 -.481E+02   -.310E-01 0.614E+00 0.294E+00   0.941E-02 -.362E-02 -.189E-02
   0.237E+02 -.137E+02 0.942E+02   -.244E+02 0.141E+02 -.962E+02   0.640E+00 -.370E+00 0.206E+01   0.339E-02 -.196E-02 -.358E-02
   0.164E+02 -.215E+02 0.257E+02   -.166E+02 0.217E+02 -.256E+02   0.229E+00 -.179E+00 -.332E-01   0.469E-02 -.375E-02 0.254E-03
   0.120E+01 -.122E+02 0.161E+02   -.121E+01 0.123E+02 -.161E+02   0.317E-02 -.222E-01 -.488E-01   0.688E-02 -.279E-02 -.636E-03
   -.414E+01 0.192E+01 0.116E+02   0.413E+01 -.192E+01 -.116E+02   -.312E-03 0.934E-02 -.436E-01   0.687E-02 -.359E-02 -.270E-03
   -.193E+02 0.111E+02 0.218E+02   0.193E+02 -.112E+02 -.218E+02   -.498E-01 0.288E-01 -.420E-01   0.680E-02 -.392E-02 0.891E-03
   -.374E+02 -.788E+01 0.478E+02   0.379E+02 0.817E+01 -.481E+02   -.547E+00 -.280E+00 0.294E+00   0.785E-02 -.634E-02 -.189E-02
   -.716E+01 -.304E+02 0.422E+02   0.733E+01 0.306E+02 -.422E+02   -.190E+00 -.197E+00 -.606E-01   0.792E-02 -.476E-02 -.238E-02
   -.286E+01 -.877E+01 0.194E+02   0.287E+01 0.879E+01 -.193E+02   -.169E-01 -.104E-01 -.275E-01   0.488E-02 -.360E-02 -.352E-03
   0.140E+01 -.808E+00 0.135E+02   -.141E+01 0.815E+00 -.134E+02   -.893E-03 0.516E-03 -.179E-01   0.710E-02 -.410E-02 -.182E-03
   -.373E+01 0.263E+01 0.116E+02   0.373E+01 -.262E+01 -.116E+02   -.824E-02 -.440E-02 -.436E-01   0.655E-02 -.415E-02 -.265E-03
   -.148E+02 -.170E+01 0.162E+02   0.148E+02 0.175E+01 -.161E+02   -.636E-01 -.337E-01 -.508E-01   0.705E-02 -.563E-02 -.319E-03
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.925E-01 -.511E-01 -.475E-01   0.919E-02 -.182E-02 -.834E-03
   0.286E+01 0.877E+01 0.194E+02   -.287E+01 -.879E+01 -.193E+02   0.169E-01 0.104E-01 -.275E-01   -.488E-02 0.360E-02 -.352E-03
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.925E-01 0.511E-01 -.475E-01   -.919E-02 0.182E-02 -.834E-03
   0.148E+02 0.170E+01 0.162E+02   -.148E+02 -.175E+01 -.161E+02   0.636E-01 0.337E-01 -.508E-01   -.705E-02 0.563E-02 -.319E-03
   0.373E+01 -.263E+01 0.116E+02   -.373E+01 0.262E+01 -.116E+02   0.824E-02 0.440E-02 -.436E-01   -.655E-02 0.415E-02 -.265E-03
   -.140E+01 0.808E+00 0.135E+02   0.141E+01 -.815E+00 -.134E+02   0.893E-03 -.516E-03 -.179E-01   -.710E-02 0.410E-02 -.182E-03
   -.120E+01 0.122E+02 0.161E+02   0.121E+01 -.123E+02 -.161E+02   -.317E-02 0.222E-01 -.488E-01   -.688E-02 0.279E-02 -.636E-03
   0.716E+01 0.304E+02 0.422E+02   -.733E+01 -.306E+02 -.422E+02   0.190E+00 0.197E+00 -.606E-01   -.792E-02 0.476E-02 -.238E-02
   0.374E+02 0.788E+01 0.478E+02   -.379E+02 -.817E+01 -.481E+02   0.547E+00 0.280E+00 0.294E+00   -.785E-02 0.634E-02 -.189E-02
   0.193E+02 -.111E+02 0.218E+02   -.193E+02 0.112E+02 -.218E+02   0.498E-01 -.288E-01 -.420E-01   -.680E-02 0.392E-02 0.891E-03
   0.414E+01 -.192E+01 0.116E+02   -.413E+01 0.192E+01 -.116E+02   0.312E-03 -.934E-02 -.436E-01   -.687E-02 0.359E-02 -.270E-03
   -.314E+01 0.365E+01 0.125E+02   0.316E+01 -.367E+01 -.125E+02   -.140E-01 0.898E-02 -.191E-01   -.662E-02 0.424E-02 -.704E-03
   -.164E+02 0.215E+02 0.257E+02   0.166E+02 -.217E+02 -.256E+02   -.229E+00 0.179E+00 -.332E-01   -.469E-02 0.375E-02 0.254E-03
   -.237E+02 0.137E+02 0.942E+02   0.244E+02 -.141E+02 -.962E+02   -.640E+00 0.370E+00 0.206E+01   -.339E-02 0.196E-02 -.358E-02
   0.119E+02 -.363E+02 0.478E+02   -.119E+02 0.369E+02 -.481E+02   0.310E-01 -.614E+00 0.294E+00   -.941E-02 0.362E-02 -.189E-02
   0.591E+01 -.136E+02 0.162E+02   -.590E+01 0.137E+02 -.161E+02   0.259E-02 -.719E-01 -.508E-01   -.840E-02 0.329E-02 -.325E-03
   -.659E+00 -.393E+01 0.126E+02   0.668E+00 0.393E+01 -.126E+02   0.350E-02 -.322E-03 -.126E-01   -.771E-02 0.425E-02 -.214E-03
   -.915E+01 0.528E+01 0.136E+02   0.920E+01 -.531E+01 -.136E+02   -.411E-01 0.237E-01 -.120E-01   -.665E-02 0.385E-02 0.268E-03
   -.268E+02 0.344E+01 0.257E+02   0.271E+02 -.355E+01 -.256E+02   -.270E+00 0.109E+00 -.332E-01   -.558E-02 0.219E-02 0.259E-03
   -.227E+02 -.214E+02 0.422E+02   0.228E+02 0.216E+02 -.422E+02   -.758E-01 -.264E+00 -.606E-01   -.808E-02 0.448E-02 -.238E-02
   -.241E+01 -.188E+02 0.240E+02   0.242E+01 0.189E+02 -.240E+02   0.204E-02 -.106E+00 -.475E-01   -.616E-02 0.705E-02 -.836E-03
   0.204E+01 -.118E+01 0.163E+02   -.203E+01 0.117E+01 -.163E+02   0.317E-02 -.183E-02 -.235E-01   -.814E-02 0.470E-02 0.397E-04
   0.308E+01 0.254E+01 0.126E+02   -.307E+01 -.254E+01 -.126E+02   0.203E-02 -.287E-02 -.126E-01   -.753E-02 0.456E-02 -.211E-03
   -.473E+01 0.891E+00 0.125E+02   0.476E+01 -.904E+00 -.125E+02   -.148E-01 0.761E-02 -.191E-01   -.698E-02 0.361E-02 -.696E-03
   -.112E+02 -.508E+01 0.161E+02   0.112E+02 0.509E+01 -.161E+02   -.208E-01 -.835E-02 -.488E-01   -.585E-02 0.456E-02 -.631E-03
   -.617E+01 -.686E+01 0.194E+02   0.618E+01 0.688E+01 -.193E+02   -.562E-03 -.198E-01 -.275E-01   -.555E-02 0.242E-02 -.351E-03
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.292E-03 0.101E+02   0.437E-12 0.959E-13 0.405E-12   0.188E-15 -.160E-15 -.100E+02   0.148E-06 -.102E-06 -.595E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85279      6.06025     12.25935         0.000000      0.000000      0.019125
      1.07558      6.50897     13.51841        -0.001197      0.000691      0.016063
      2.62999      5.61153     13.51841         0.001197     -0.000691      0.016063
      0.00011     -0.00006      9.90745        -0.003358      0.001939      0.000357
     -1.23478      2.13725      9.90617        -0.000665     -0.003194     -0.000373
     -2.47002      4.27707      9.92620        -0.002310      0.003349     -0.000926
     -3.70365      6.41611      9.93402        -0.002556      0.001654     -0.002204
     -4.93732      8.55465      9.92443        -0.004549      0.003138     -0.000234
      2.46946      0.00013      9.92443        -0.004992      0.002371     -0.000234
      1.23416      2.13710      9.91575        -0.000797      0.006456     -0.000489
     -0.00235      4.27155      9.92842        -0.008697      0.004650     -0.002263
     -1.23805      6.41688      9.95035         0.000108      0.001360     -0.000812
     -2.46855      8.55518      9.93566        -0.002360      0.001362      0.000373
      4.93833      0.00101      9.93402        -0.002710      0.001386     -0.002204
      3.70470      2.13742      9.93718        -0.004101     -0.000110     -0.000471
      2.47039      4.26949      9.96508        -0.002758      0.000891     -0.003880
      1.22962      6.42004      9.97125        -0.001607      0.000928     -0.002926
     -0.00148      8.55868      9.95035        -0.001124     -0.000774     -0.000812
      7.40761      0.00218      9.92620        -0.004056      0.000326     -0.000926
      6.17329      2.13975      9.93250        -0.003136      0.001503     -0.000517
      4.93974      4.27800      9.94510         0.000713     -0.000412      0.000757
      3.71243      6.42078      9.96508        -0.002151      0.001943     -0.003880
      2.47428      8.56120      9.92842        -0.008376      0.005207     -0.002263
      9.87836      0.00233      9.90617         0.002433      0.002173     -0.000373
      8.64281      2.14004      9.91732        -0.005099      0.002944      0.000149
      7.40830      4.27885      9.93250        -0.002870      0.001964     -0.000517
      6.17601      6.41787      9.93718        -0.001956      0.003607     -0.000471
      4.94103      8.55758      9.91575        -0.005990     -0.002538     -0.000489
     -0.00084      1.42484      9.90617        -0.002433     -0.002173     -0.000373
     -1.23545      3.56293      9.91575         0.005990      0.002538     -0.000489
     -2.47044      5.70264      9.93718         0.001956     -0.003607     -0.000471
     -3.70272      7.84166      9.93250         0.002870     -0.001964     -0.000517
     -4.93723      9.98047      9.91732         0.005099     -0.002944      0.000149
      2.46991      1.42500      9.92620         0.004056     -0.000326     -0.000926
      1.23130      3.55930      9.92842         0.008376     -0.005207     -0.002263
     -0.00686      5.69973      9.96508         0.002151     -0.001943     -0.003880
     -1.23416      7.84251      9.94510        -0.000713      0.000412      0.000757
     -2.46771      9.98076      9.93250         0.003136     -0.001503     -0.000517
      4.93919      1.42616      9.93402         0.002710     -0.001386     -0.002204
      3.70705      3.56182      9.95035         0.001124      0.000774     -0.000812
      2.47596      5.70047      9.97125         0.001607     -0.000928     -0.002926
      1.23519      7.85102      9.96508         0.002758     -0.000891     -0.003880
      0.00088      9.98309      9.93718         0.004101      0.000110     -0.000471
      7.40806      1.42705      9.92443         0.004992     -0.002371     -0.000234
      6.17412      3.56533      9.93566         0.002360     -0.001362      0.000373
      4.94362      5.70363      9.95035        -0.000108     -0.001360     -0.000812
      3.70793      7.84895      9.92842         0.008697     -0.004650     -0.002263
      2.47141      9.98341      9.91575         0.000797     -0.006456     -0.000489
      9.87741      1.42724      9.90745         0.003358     -0.001939      0.000357
      8.64290      3.56585      9.92443         0.004549     -0.003138     -0.000234
      7.40923      5.70440      9.93402         0.002556     -0.001654     -0.002204
      6.17560      7.84344      9.92620         0.002310     -0.003349     -0.000926
      4.94035      9.98325      9.90617         0.000665      0.003194     -0.000373
 -----------------------------------------------------------------------------------
    total drift:                               -0.001806      0.000292      0.022747


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.67: CPU time    1.68
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.18: CPU time    1.18
    ORTHCH:  VPU time  150.46: CPU time   75.28
     LOOP+:  VPU time 4560.10: CPU time 2325.63


----------------------------------------- Iteration    8(   1)  ---------------------------------------


    POTLOK:  VPU time    7.81: CPU time    7.71
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1409.62: CPU time  719.48
 BZINTS: Fermi energy: -3.188874;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.21: CPU time   45.42
    MIXING:  VPU time    0.12: CPU time    0.13
    ------------------------------------------
      LOOP:  VPU time 1508.11: CPU time  773.06

 eigenvalue-minimisations  :  5744
 total energy-change (2. order) :-0.4717263E+03  (-0.7600684E-04)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9558545 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.15328E-02    rms(broyden)= 0.15323E-02
  rms(prec ) = 0.17004E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34073.66544985
  -1/2 Hartree   DENC   =    -40964.64180536
  -V(xc)+E(xc)   XCENC  =       726.53236112
  PAW double counting   =      4092.59992129    -4130.94314056
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.37894107
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72630113 eV

  energy without entropy =     -471.72630113  energy(sigma->0) =     -471.72630113


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(   2)  ---------------------------------------


    POTLOK:  VPU time    7.72: CPU time    7.72
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1132.64: CPU time  578.39
 BZINTS: Fermi energy: -3.187718;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1140.70: CPU time  586.42

 eigenvalue-minimisations  :  4192
 total energy-change (2. order) : 0.2002542E-05  (-0.2615994E-05)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9558545 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34073.66544985
  -1/2 Hartree   DENC   =    -40964.50721726
  -V(xc)+E(xc)   XCENC  =       726.52804426
  PAW double counting   =      4092.50373382    -4130.84687639
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.50928700
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72629913 eV

  energy without entropy =     -471.72629913  energy(sigma->0) =     -471.72629913


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2197       2 -39.5356       3 -39.5356       4 -58.3145       5 -58.3185
       6 -58.3210       7 -58.3155       8 -58.3158       9 -58.3158      10 -58.3224
      11 -58.3886      12 -58.3524      13 -58.3238      14 -58.3155      15 -58.3254
      16 -58.5440      17 -58.7307      18 -58.3524      19 -58.3210      20 -58.3206
      21 -58.3586      22 -58.5440      23 -58.3886      24 -58.3185      25 -58.3237
      26 -58.3206      27 -58.3254      28 -58.3224      29 -58.3183      30 -58.3223
      31 -58.3253      32 -58.3205      33 -58.3236      34 -58.3209      35 -58.3885
      36 -58.5439      37 -58.3585      38 -58.3205      39 -58.3154      40 -58.3523
      41 -58.7306      42 -58.5439      43 -58.3253      44 -58.3157      45 -58.3236
      46 -58.3523      47 -58.3885      48 -58.3223      49 -58.3144      50 -58.3157
      51 -58.3154      52 -58.3209      53 -58.3184
 
 
 
 E-fermi :  -3.1877     XC(G=0):  -2.3601     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4229      1.00000
      2     -21.6003      1.00000
      3     -21.4781      1.00000
      4     -21.4692      1.00000
      5     -21.4375      1.00000
      6     -21.4368      1.00000
      7     -21.4265      1.00000
      8     -19.7049      1.00000
      9     -19.6498      1.00000
     10     -19.6266      1.00000
     11     -19.6154      1.00000
     12     -19.6101      1.00000
     13     -19.6092      1.00000
     14     -18.7874      1.00000
     15     -18.7521      1.00000
     16     -18.7323      1.00000
     17     -18.7229      1.00000
     18     -18.7155      1.00000
     19     -18.7101      1.00000
     20     -16.6336      1.00000
     21     -16.6076      1.00000
     22     -16.5831      1.00000
     23     -16.5797      1.00000
     24     -16.5528      1.00000
     25     -16.5509      1.00000
     26     -15.6119      1.00000
     27     -15.5996      1.00000
     28     -15.5963      1.00000
     29     -15.5622      1.00000
     30     -15.5603      1.00000
     31     -15.5591      1.00000
     32     -14.2579      1.00000
     33     -14.2488      1.00000
     34     -14.2387      1.00000
     35     -14.2337      1.00000
     36     -14.2205      1.00000
     37     -14.2173      1.00000
     38     -11.9048      1.00000
     39     -11.8780      1.00000
     40     -11.8667      1.00000
     41     -11.8648      1.00000
     42     -11.8438      1.00000
     43     -11.8437      1.00000
     44     -11.7690      1.00000
     45     -11.7664      1.00000
     46     -11.7334      1.00000
     47     -11.7268      1.00000
     48     -11.7228      1.00000
     49     -11.7199      1.00000
     50     -10.6742      1.00000
     51     -10.3867      1.00000
     52     -10.3818      1.00000
     53     -10.3748      1.00000
     54     -10.3666      1.00000
     55     -10.3535      1.00000
     56     -10.3515      1.00000
     57      -9.9027      1.00000
     58      -9.4482      1.00000
     59      -9.4031      1.00000
     60      -9.3599      1.00000
     61      -9.3593      1.00000
     62      -9.3513      1.00000
     63      -9.1411      1.00000
     64      -9.1207      1.00000
     65      -9.1198      1.00000
     66      -9.0837      1.00000
     67      -9.0705      1.00000
     68      -9.0700      1.00000
     69      -9.0694      1.00000
     70      -9.0630      1.00000
     71      -9.0630      1.00000
     72      -9.0378      1.00000
     73      -9.0281      1.00000
     74      -9.0248      1.00000
     75      -8.1288      1.00000
     76      -7.7477      1.00000
     77      -7.4681      1.00000
     78      -7.4655      1.00000
     79      -7.4532      1.00000
     80      -7.4333      1.00000
     81      -7.4236      1.00000
     82      -7.4058      1.00000
     83      -7.3112      1.00000
     84      -7.2692      1.00000
     85      -7.2554      1.00000
     86      -7.2470      1.00000
     87      -7.1479      1.00000
     88      -7.0485      1.00000
     89      -6.4446      1.00000
     90      -6.4148      1.00000
     91      -6.3991      1.00000
     92      -6.3621      1.00000
     93      -6.3513      1.00000
     94      -6.3392      1.00000
     95      -5.9584      1.00000
     96      -5.9582      1.00000
     97      -4.8075      1.00000
     98      -4.5448      1.00000
     99      -4.4811      1.00000
    100      -4.4745      1.00000
    101      -4.3817      1.00000
    102      -4.3811      1.00000
    103      -4.2677      1.00000
    104      -4.1880      1.00000
    105      -3.7395      1.00000
    106      -3.4790      1.00000
    107      -1.8634      0.00000
    108      -1.6707      0.00000
    109      -1.6248      0.00000
    110      -1.5919      0.00000
    111      -1.5763      0.00000
    112      -1.5754      0.00000
    113      -0.4287      0.00000
    114       0.1452      0.00000
    115       0.1905      0.00000
    116       0.2543      0.00000
    117       0.2663      0.00000
    118       0.2699      0.00000
    119       0.4783      0.00000
    120       0.5425      0.00000
    121       1.2415      0.00000
    122       1.2899      0.00000
    123       1.5216      0.00000
    124       1.7659      0.00000
    125       1.7683      0.00000
    126       1.7685      0.00000
    127       1.7948      0.00000
    128       1.8255      0.00000
    129       1.9561      0.00000
    130       1.9644      0.00000
    131       1.9717      0.00000
    132       1.9865      0.00000
    133       1.9939      0.00000
    134       2.0723      0.00000
    135       2.2379      0.00000
    136       2.3401      0.00000
    137       2.5898      0.00000
    138       2.5899      0.00000
    139       2.6145      0.00000
    140       2.6819      0.00000
    141       2.9253      0.00000
    142       3.0368      0.00000
    143       3.0549      0.00000
    144       3.0856      0.00000
    145       3.0872      0.00000
    146       3.0898      0.00000
    147       3.0911      0.00000
    148       3.2573      0.00000
    149       3.4381      0.00000
    150       3.4890      0.00000
    151       3.8112      0.00000
    152       3.9209      0.00000
    153       3.9216      0.00000
    154       3.9234      0.00000
    155       3.9446      0.00000
    156       3.9863      0.00000
    157       4.1743      0.00000
    158       4.2572      0.00000
    159       4.2637      0.00000
    160       4.2786      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3863      1.00000
      2     -21.8273      1.00000
      3     -21.6350      1.00000
      4     -21.6071      1.00000
      5     -21.2716      1.00000
      6     -21.2321      1.00000
      7     -21.0537      1.00000
      8     -20.1649      1.00000
      9     -20.1265      1.00000
     10     -19.6058      1.00000
     11     -19.5948      1.00000
     12     -19.4145      1.00000
     13     -19.0872      1.00000
     14     -19.0573      1.00000
     15     -19.0463      1.00000
     16     -19.0388      1.00000
     17     -18.3582      1.00000
     18     -18.3499      1.00000
     19     -18.0168      1.00000
     20     -17.0674      1.00000
     21     -17.0285      1.00000
     22     -16.9422      1.00000
     23     -16.9382      1.00000
     24     -16.4663      1.00000
     25     -16.4616      1.00000
     26     -15.6115      1.00000
     27     -15.6049      1.00000
     28     -15.2505      1.00000
     29     -15.2416      1.00000
     30     -15.1826      1.00000
     31     -15.0959      1.00000
     32     -15.0691      1.00000
     33     -14.6964      1.00000
     34     -14.6945      1.00000
     35     -13.7247      1.00000
     36     -13.7223      1.00000
     37     -13.2342      1.00000
     38     -12.6132      1.00000
     39     -12.5830      1.00000
     40     -12.4518      1.00000
     41     -12.4481      1.00000
     42     -12.1082      1.00000
     43     -12.1036      1.00000
     44     -11.7151      1.00000
     45     -11.6841      1.00000
     46     -11.2343      1.00000
     47     -11.2252      1.00000
     48     -11.0159      1.00000
     49     -11.0079      1.00000
     50     -10.9245      1.00000
     51     -10.9031      1.00000
     52     -10.6292      1.00000
     53     -10.1535      1.00000
     54     -10.1490      1.00000
     55     -10.0910      1.00000
     56      -9.9968      1.00000
     57      -9.7010      1.00000
     58      -9.6935      1.00000
     59      -9.6536      1.00000
     60      -9.5902      1.00000
     61      -9.5759      1.00000
     62      -9.5572      1.00000
     63      -9.3058      1.00000
     64      -9.3018      1.00000
     65      -9.2721      1.00000
     66      -9.2350      1.00000
     67      -9.1344      1.00000
     68      -9.1139      1.00000
     69      -9.1097      1.00000
     70      -8.9374      1.00000
     71      -8.8707      1.00000
     72      -8.6040      1.00000
     73      -8.5904      1.00000
     74      -8.2353      1.00000
     75      -8.1003      1.00000
     76      -7.9124      1.00000
     77      -7.8628      1.00000
     78      -7.7709      1.00000
     79      -7.7560      1.00000
     80      -7.6904      1.00000
     81      -7.5609      1.00000
     82      -7.3382      1.00000
     83      -7.3221      1.00000
     84      -7.2025      1.00000
     85      -7.1222      1.00000
     86      -7.0305      1.00000
     87      -7.0116      1.00000
     88      -6.7030      1.00000
     89      -6.6764      1.00000
     90      -6.6396      1.00000
     91      -6.5962      1.00000
     92      -6.1160      1.00000
     93      -6.0615      1.00000
     94      -6.0307      1.00000
     95      -6.0101      1.00000
     96      -5.7824      1.00000
     97      -4.9749      1.00000
     98      -4.8317      1.00000
     99      -4.7466      1.00000
    100      -4.6789      1.00000
    101      -4.4693      1.00000
    102      -4.2045      1.00000
    103      -4.1720      1.00000
    104      -4.1278      1.00000
    105      -3.7298      1.00000
    106      -3.4892      1.00000
    107      -1.8715      0.00000
    108      -1.8092      0.00000
    109      -1.5256      0.00000
    110      -1.3780      0.00000
    111      -1.3220      0.00000
    112      -1.2887      0.00000
    113      -0.7207      0.00000
    114      -0.3766      0.00000
    115      -0.2507      0.00000
    116       0.0384      0.00000
    117       0.5520      0.00000
    118       0.6963      0.00000
    119       0.7447      0.00000
    120       1.0466      0.00000
    121       1.0980      0.00000
    122       1.1464      0.00000
    123       1.2253      0.00000
    124       1.3721      0.00000
    125       1.5174      0.00000
    126       1.5693      0.00000
    127       1.7090      0.00000
    128       1.8069      0.00000
    129       1.8540      0.00000
    130       1.8785      0.00000
    131       2.0911      0.00000
    132       2.1760      0.00000
    133       2.2342      0.00000
    134       2.2924      0.00000
    135       2.4988      0.00000
    136       2.5707      0.00000
    137       2.6275      0.00000
    138       2.7639      0.00000
    139       2.7830      0.00000
    140       2.8202      0.00000
    141       2.8508      0.00000
    142       2.8837      0.00000
    143       2.9354      0.00000
    144       3.0595      0.00000
    145       3.1386      0.00000
    146       3.2969      0.00000
    147       3.3731      0.00000
    148       3.4222      0.00000
    149       3.4491      0.00000
    150       3.5923      0.00000
    151       3.6348      0.00000
    152       3.6475      0.00000
    153       3.6959      0.00000
    154       3.8853      0.00000
    155       3.9436      0.00000
    156       4.0028      0.00000
    157       4.0543      0.00000
    158       4.2085      0.00000
    159       4.2323      0.00000
    160       4.2618      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2803      1.00000
      2     -22.0747      1.00000
      3     -21.7135      1.00000
      4     -21.6815      1.00000
      5     -20.9765      1.00000
      6     -20.9357      1.00000
      7     -20.6090      1.00000
      8     -20.5722      1.00000
      9     -20.5659      1.00000
     10     -20.0298      1.00000
     11     -19.5007      1.00000
     12     -19.4890      1.00000
     13     -19.3041      1.00000
     14     -19.2990      1.00000
     15     -18.4454      1.00000
     16     -18.4085      1.00000
     17     -17.9201      1.00000
     18     -17.9107      1.00000
     19     -17.7595      1.00000
     20     -17.7236      1.00000
     21     -17.4339      1.00000
     22     -17.4265      1.00000
     23     -17.3391      1.00000
     24     -16.4611      1.00000
     25     -16.4599      1.00000
     26     -15.9644      1.00000
     27     -15.4119      1.00000
     28     -15.4067      1.00000
     29     -15.0943      1.00000
     30     -15.0911      1.00000
     31     -14.8535      1.00000
     32     -14.8460      1.00000
     33     -14.2887      1.00000
     34     -14.2558      1.00000
     35     -13.4354      1.00000
     36     -13.4029      1.00000
     37     -13.1759      1.00000
     38     -13.1726      1.00000
     39     -12.9788      1.00000
     40     -12.9740      1.00000
     41     -12.6117      1.00000
     42     -12.6085      1.00000
     43     -12.1965      1.00000
     44     -11.5744      1.00000
     45     -11.5405      1.00000
     46     -11.3085      1.00000
     47     -11.2856      1.00000
     48     -11.1410      1.00000
     49     -10.6756      1.00000
     50     -10.6597      1.00000
     51     -10.5516      1.00000
     52     -10.3219      1.00000
     53     -10.3159      1.00000
     54     -10.1668      1.00000
     55     -10.1146      1.00000
     56     -10.1118      1.00000
     57      -9.7961      1.00000
     58      -9.7637      1.00000
     59      -9.7501      1.00000
     60      -9.6983      1.00000
     61      -9.6954      1.00000
     62      -9.6596      1.00000
     63      -9.3532      1.00000
     64      -9.3499      1.00000
     65      -9.3138      1.00000
     66      -9.0397      1.00000
     67      -8.9609      1.00000
     68      -8.9480      1.00000
     69      -8.7974      1.00000
     70      -8.5935      1.00000
     71      -8.5560      1.00000
     72      -8.3967      1.00000
     73      -8.3629      1.00000
     74      -8.3237      1.00000
     75      -8.3060      1.00000
     76      -8.2582      1.00000
     77      -8.2565      1.00000
     78      -8.2351      1.00000
     79      -7.9030      1.00000
     80      -7.6504      1.00000
     81      -7.5495      1.00000
     82      -7.3859      1.00000
     83      -7.3487      1.00000
     84      -7.2306      1.00000
     85      -7.0944      1.00000
     86      -7.0374      1.00000
     87      -6.9321      1.00000
     88      -6.8469      1.00000
     89      -6.6121      1.00000
     90      -6.5587      1.00000
     91      -6.2694      1.00000
     92      -6.0429      1.00000
     93      -5.9504      1.00000
     94      -5.6619      1.00000
     95      -5.6216      1.00000
     96      -5.4629      1.00000
     97      -5.3194      1.00000
     98      -5.2779      1.00000
     99      -5.2131      1.00000
    100      -5.1929      1.00000
    101      -4.5092      1.00000
    102      -4.2089      1.00000
    103      -4.0598      1.00000
    104      -3.9891      1.00000
    105      -3.6943      1.00000
    106      -3.4995      1.00000
    107      -1.9473      0.00000
    108      -1.8965      0.00000
    109      -1.3405      0.00000
    110      -1.0855      0.00000
    111      -1.0587      0.00000
    112      -0.8013      0.00000
    113      -0.6782      0.00000
    114      -0.6478      0.00000
    115      -0.6084      0.00000
    116      -0.1074      0.00000
    117       0.2139      0.00000
    118       0.3297      0.00000
    119       0.6901      0.00000
    120       0.8850      0.00000
    121       1.1248      0.00000
    122       1.1970      0.00000
    123       1.3220      0.00000
    124       1.4142      0.00000
    125       1.5495      0.00000
    126       1.5729      0.00000
    127       1.6675      0.00000
    128       1.8012      0.00000
    129       1.8675      0.00000
    130       2.0422      0.00000
    131       2.1156      0.00000
    132       2.3220      0.00000
    133       2.3567      0.00000
    134       2.3835      0.00000
    135       2.5298      0.00000
    136       2.6212      0.00000
    137       2.7186      0.00000
    138       2.7484      0.00000
    139       2.8144      0.00000
    140       2.8656      0.00000
    141       3.0265      0.00000
    142       3.0458      0.00000
    143       3.1461      0.00000
    144       3.2502      0.00000
    145       3.3490      0.00000
    146       3.4014      0.00000
    147       3.4152      0.00000
    148       3.5504      0.00000
    149       3.5637      0.00000
    150       3.5827      0.00000
    151       3.6508      0.00000
    152       3.6631      0.00000
    153       3.7674      0.00000
    154       3.7824      0.00000
    155       3.7950      0.00000
    156       3.8801      0.00000
    157       3.9060      0.00000
    158       3.9798      0.00000
    159       4.1961      0.00000
    160       4.2123      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3143      1.00000
      2     -21.9597      1.00000
      3     -21.8903      1.00000
      4     -21.3779      1.00000
      5     -21.3485      1.00000
      6     -20.8368      1.00000
      7     -20.7713      1.00000
      8     -20.6212      1.00000
      9     -20.0748      1.00000
     10     -20.0691      1.00000
     11     -19.7142      1.00000
     12     -19.6895      1.00000
     13     -18.9940      1.00000
     14     -18.9880      1.00000
     15     -18.6382      1.00000
     16     -18.6222      1.00000
     17     -18.4598      1.00000
     18     -17.6736      1.00000
     19     -17.6228      1.00000
     20     -17.6200      1.00000
     21     -17.5781      1.00000
     22     -17.1247      1.00000
     23     -17.1030      1.00000
     24     -16.9605      1.00000
     25     -16.0004      1.00000
     26     -15.9266      1.00000
     27     -15.5834      1.00000
     28     -15.5831      1.00000
     29     -15.2851      1.00000
     30     -14.8623      1.00000
     31     -14.8349      1.00000
     32     -14.5776      1.00000
     33     -14.5356      1.00000
     34     -14.1668      1.00000
     35     -14.1532      1.00000
     36     -13.1471      1.00000
     37     -13.0980      1.00000
     38     -13.0282      1.00000
     39     -13.0182      1.00000
     40     -12.7077      1.00000
     41     -12.7036      1.00000
     42     -12.3390      1.00000
     43     -12.3077      1.00000
     44     -11.6349      1.00000
     45     -11.6212      1.00000
     46     -11.5697      1.00000
     47     -10.9477      1.00000
     48     -10.9145      1.00000
     49     -10.6316      1.00000
     50     -10.6238      1.00000
     51     -10.5459      1.00000
     52     -10.4978      1.00000
     53     -10.4975      1.00000
     54     -10.4391      1.00000
     55     -10.3589      1.00000
     56     -10.0972      1.00000
     57      -9.9008      1.00000
     58      -9.6073      1.00000
     59      -9.5549      1.00000
     60      -9.4508      1.00000
     61      -9.4105      1.00000
     62      -9.4036      1.00000
     63      -9.3758      1.00000
     64      -9.3755      1.00000
     65      -9.2851      1.00000
     66      -9.1679      1.00000
     67      -9.1426      1.00000
     68      -9.1134      1.00000
     69      -8.8634      1.00000
     70      -8.8558      1.00000
     71      -8.8136      1.00000
     72      -8.5948      1.00000
     73      -8.4781      1.00000
     74      -8.1977      1.00000
     75      -8.1622      1.00000
     76      -8.0071      1.00000
     77      -7.9639      1.00000
     78      -7.8500      1.00000
     79      -7.8397      1.00000
     80      -7.7039      1.00000
     81      -7.6967      1.00000
     82      -7.6201      1.00000
     83      -7.4481      1.00000
     84      -7.2984      1.00000
     85      -7.2530      1.00000
     86      -6.9058      1.00000
     87      -6.8921      1.00000
     88      -6.5872      1.00000
     89      -6.5499      1.00000
     90      -6.4063      1.00000
     91      -6.2520      1.00000
     92      -6.2314      1.00000
     93      -6.2051      1.00000
     94      -6.0220      1.00000
     95      -5.5495      1.00000
     96      -5.4882      1.00000
     97      -5.3500      1.00000
     98      -5.2189      1.00000
     99      -4.9788      1.00000
    100      -4.7325      1.00000
    101      -4.6777      1.00000
    102      -4.3875      1.00000
    103      -4.2042      1.00000
    104      -3.8719      1.00000
    105      -3.5461      1.00000
    106      -3.5117      1.00000
    107      -2.2565      0.00000
    108      -1.4584      0.00000
    109      -1.3716      0.00000
    110      -1.2425      0.00000
    111      -1.0989      0.00000
    112      -0.9458      0.00000
    113      -0.8645      0.00000
    114      -0.8041      0.00000
    115      -0.1384      0.00000
    116       0.1103      0.00000
    117       0.2397      0.00000
    118       0.3775      0.00000
    119       0.6471      0.00000
    120       0.8343      0.00000
    121       0.9349      0.00000
    122       1.0607      0.00000
    123       1.2276      0.00000
    124       1.4447      0.00000
    125       1.5356      0.00000
    126       1.7639      0.00000
    127       1.7881      0.00000
    128       1.8635      0.00000
    129       1.9544      0.00000
    130       2.0380      0.00000
    131       2.1632      0.00000
    132       2.1875      0.00000
    133       2.3978      0.00000
    134       2.4498      0.00000
    135       2.5254      0.00000
    136       2.6011      0.00000
    137       2.6354      0.00000
    138       2.6882      0.00000
    139       2.7541      0.00000
    140       2.8190      0.00000
    141       2.9345      0.00000
    142       3.0621      0.00000
    143       3.1862      0.00000
    144       3.1993      0.00000
    145       3.2428      0.00000
    146       3.2952      0.00000
    147       3.3113      0.00000
    148       3.4502      0.00000
    149       3.4839      0.00000
    150       3.6905      0.00000
    151       3.6991      0.00000
    152       3.7152      0.00000
    153       3.8489      0.00000
    154       3.9000      0.00000
    155       3.9212      0.00000
    156       3.9706      0.00000
    157       4.0007      0.00000
    158       4.0313      0.00000
    159       4.0433      0.00000
    160       4.0459      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2074      1.00000
      2     -22.1142      1.00000
      3     -21.9535      1.00000
      4     -21.4013      1.00000
      5     -21.0469      1.00000
      6     -21.0108      1.00000
      7     -20.4979      1.00000
      8     -20.4583      1.00000
      9     -20.2921      1.00000
     10     -20.2727      1.00000
     11     -19.9549      1.00000
     12     -19.8890      1.00000
     13     -18.8801      1.00000
     14     -18.8113      1.00000
     15     -18.3507      1.00000
     16     -18.3043      1.00000
     17     -18.1509      1.00000
     18     -18.1336      1.00000
     19     -17.8247      1.00000
     20     -17.7870      1.00000
     21     -17.2502      1.00000
     22     -17.2401      1.00000
     23     -17.1633      1.00000
     24     -17.1309      1.00000
     25     -16.1073      1.00000
     26     -15.8829      1.00000
     27     -15.8678      1.00000
     28     -15.8328      1.00000
     29     -15.2353      1.00000
     30     -14.5534      1.00000
     31     -14.5254      1.00000
     32     -14.2792      1.00000
     33     -13.9624      1.00000
     34     -13.9549      1.00000
     35     -13.8193      1.00000
     36     -13.8035      1.00000
     37     -13.6133      1.00000
     38     -13.5693      1.00000
     39     -13.3667      1.00000
     40     -12.6319      1.00000
     41     -12.1800      1.00000
     42     -12.1318      1.00000
     43     -12.0698      1.00000
     44     -12.0174      1.00000
     45     -11.6688      1.00000
     46     -11.6552      1.00000
     47     -11.1382      1.00000
     48     -11.1175      1.00000
     49     -10.7931      1.00000
     50     -10.7294      1.00000
     51     -10.5276      1.00000
     52     -10.2074      1.00000
     53     -10.2041      1.00000
     54     -10.1619      1.00000
     55     -10.0165      1.00000
     56     -10.0020      1.00000
     57      -9.9889      1.00000
     58      -9.7999      1.00000
     59      -9.7962      1.00000
     60      -9.7619      1.00000
     61      -9.7571      1.00000
     62      -9.4532      1.00000
     63      -9.4155      1.00000
     64      -9.0791      1.00000
     65      -9.0714      1.00000
     66      -9.0395      1.00000
     67      -8.9549      1.00000
     68      -8.8751      1.00000
     69      -8.7112      1.00000
     70      -8.6989      1.00000
     71      -8.5648      1.00000
     72      -8.5419      1.00000
     73      -8.4979      1.00000
     74      -8.4617      1.00000
     75      -8.4521      1.00000
     76      -8.2587      1.00000
     77      -8.1238      1.00000
     78      -8.0415      1.00000
     79      -7.9150      1.00000
     80      -7.8620      1.00000
     81      -7.6135      1.00000
     82      -7.5479      1.00000
     83      -7.4883      1.00000
     84      -7.2684      1.00000
     85      -6.9954      1.00000
     86      -6.9230      1.00000
     87      -6.8817      1.00000
     88      -6.5322      1.00000
     89      -6.4868      1.00000
     90      -6.4599      1.00000
     91      -6.4087      1.00000
     92      -5.9830      1.00000
     93      -5.8965      1.00000
     94      -5.7835      1.00000
     95      -5.7584      1.00000
     96      -5.4317      1.00000
     97      -5.3287      1.00000
     98      -5.2294      1.00000
     99      -5.2170      1.00000
    100      -5.1875      1.00000
    101      -4.6920      1.00000
    102      -4.4217      1.00000
    103      -4.2108      1.00000
    104      -3.8351      1.00000
    105      -3.5308      1.00000
    106      -3.2740      1.00000
    107      -2.5314      0.00000
    108      -1.4596      0.00000
    109      -1.2672      0.00000
    110      -1.2034      0.00000
    111      -1.1731      0.00000
    112      -0.7208      0.00000
    113      -0.5047      0.00000
    114      -0.4129      0.00000
    115      -0.3406      0.00000
    116      -0.1467      0.00000
    117      -0.0042      0.00000
    118       0.1949      0.00000
    119       0.5608      0.00000
    120       0.6109      0.00000
    121       0.7924      0.00000
    122       0.9033      0.00000
    123       1.1279      0.00000
    124       1.4836      0.00000
    125       1.6285      0.00000
    126       1.8344      0.00000
    127       1.9160      0.00000
    128       2.0923      0.00000
    129       2.1053      0.00000
    130       2.1400      0.00000
    131       2.1842      0.00000
    132       2.2770      0.00000
    133       2.3311      0.00000
    134       2.4673      0.00000
    135       2.5765      0.00000
    136       2.6466      0.00000
    137       2.8429      0.00000
    138       2.8672      0.00000
    139       2.8858      0.00000
    140       2.9834      0.00000
    141       3.0020      0.00000
    142       3.1306      0.00000
    143       3.1704      0.00000
    144       3.2137      0.00000
    145       3.2612      0.00000
    146       3.2760      0.00000
    147       3.2947      0.00000
    148       3.3397      0.00000
    149       3.4102      0.00000
    150       3.4283      0.00000
    151       3.5353      0.00000
    152       3.6087      0.00000
    153       3.6965      0.00000
    154       3.7166      0.00000
    155       3.7600      0.00000
    156       3.8878      0.00000
    157       3.9181      0.00000
    158       3.9898      0.00000
    159       4.1118      0.00000
    160       4.2035      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3141      1.00000
      2     -21.9612      1.00000
      3     -21.8889      1.00000
      4     -21.3816      1.00000
      5     -21.3450      1.00000
      6     -20.8365      1.00000
      7     -20.7700      1.00000
      8     -20.6221      1.00000
      9     -20.0868      1.00000
     10     -20.0580      1.00000
     11     -19.7157      1.00000
     12     -19.6869      1.00000
     13     -19.0074      1.00000
     14     -18.9761      1.00000
     15     -18.6475      1.00000
     16     -18.6145      1.00000
     17     -18.4583      1.00000
     18     -17.6586      1.00000
     19     -17.6448      1.00000
     20     -17.6085      1.00000
     21     -17.5759      1.00000
     22     -17.1354      1.00000
     23     -17.0953      1.00000
     24     -16.9642      1.00000
     25     -16.0068      1.00000
     26     -15.9204      1.00000
     27     -15.5966      1.00000
     28     -15.5730      1.00000
     29     -15.2781      1.00000
     30     -14.8749      1.00000
     31     -14.8277      1.00000
     32     -14.5732      1.00000
     33     -14.5354      1.00000
     34     -14.1621      1.00000
     35     -14.1580      1.00000
     36     -13.1611      1.00000
     37     -13.0935      1.00000
     38     -13.0216      1.00000
     39     -13.0171      1.00000
     40     -12.7166      1.00000
     41     -12.6932      1.00000
     42     -12.3383      1.00000
     43     -12.3111      1.00000
     44     -11.6306      1.00000
     45     -11.6213      1.00000
     46     -11.5678      1.00000
     47     -10.9390      1.00000
     48     -10.9211      1.00000
     49     -10.6683      1.00000
     50     -10.5888      1.00000
     51     -10.5718      1.00000
     52     -10.4990      1.00000
     53     -10.4873      1.00000
     54     -10.4382      1.00000
     55     -10.3545      1.00000
     56     -10.1015      1.00000
     57      -9.8951      1.00000
     58      -9.6072      1.00000
     59      -9.5499      1.00000
     60      -9.4526      1.00000
     61      -9.4166      1.00000
     62      -9.4079      1.00000
     63      -9.3779      1.00000
     64      -9.3707      1.00000
     65      -9.2652      1.00000
     66      -9.1646      1.00000
     67      -9.1406      1.00000
     68      -9.1143      1.00000
     69      -8.8647      1.00000
     70      -8.8588      1.00000
     71      -8.8007      1.00000
     72      -8.5943      1.00000
     73      -8.5252      1.00000
     74      -8.1921      1.00000
     75      -8.1694      1.00000
     76      -8.0743      1.00000
     77      -7.8569      1.00000
     78      -7.8361      1.00000
     79      -7.8228      1.00000
     80      -7.7101      1.00000
     81      -7.6957      1.00000
     82      -7.5954      1.00000
     83      -7.5298      1.00000
     84      -7.3485      1.00000
     85      -7.1671      1.00000
     86      -6.9047      1.00000
     87      -6.8953      1.00000
     88      -6.5911      1.00000
     89      -6.5499      1.00000
     90      -6.4059      1.00000
     91      -6.3011      1.00000
     92      -6.2462      1.00000
     93      -6.2008      1.00000
     94      -6.0028      1.00000
     95      -5.5313      1.00000
     96      -5.4643      1.00000
     97      -5.3135      1.00000
     98      -5.2086      1.00000
     99      -5.0468      1.00000
    100      -4.7234      1.00000
    101      -4.6713      1.00000
    102      -4.4243      1.00000
    103      -4.1958      1.00000
    104      -3.8438      1.00000
    105      -3.6352      1.00000
    106      -3.4168      1.00000
    107      -2.2931      0.00000
    108      -1.5108      0.00000
    109      -1.2708      0.00000
    110      -1.2630      0.00000
    111      -1.0352      0.00000
    112      -0.9782      0.00000
    113      -0.8689      0.00000
    114      -0.8007      0.00000
    115      -0.2611      0.00000
    116       0.2030      0.00000
    117       0.2381      0.00000
    118       0.3602      0.00000
    119       0.6867      0.00000
    120       0.8921      0.00000
    121       0.9222      0.00000
    122       1.0376      0.00000
    123       1.1636      0.00000
    124       1.5048      0.00000
    125       1.5454      0.00000
    126       1.7023      0.00000
    127       1.7754      0.00000
    128       1.8278      0.00000
    129       1.9542      0.00000
    130       1.9712      0.00000
    131       2.1789      0.00000
    132       2.2459      0.00000
    133       2.4024      0.00000
    134       2.4542      0.00000
    135       2.5262      0.00000
    136       2.5963      0.00000
    137       2.6155      0.00000
    138       2.6908      0.00000
    139       2.7359      0.00000
    140       2.8471      0.00000
    141       3.0258      0.00000
    142       3.0609      0.00000
    143       3.1751      0.00000
    144       3.2309      0.00000
    145       3.2451      0.00000
    146       3.2805      0.00000
    147       3.3258      0.00000
    148       3.4355      0.00000
    149       3.5053      0.00000
    150       3.6835      0.00000
    151       3.7121      0.00000
    152       3.7303      0.00000
    153       3.8193      0.00000
    154       3.8759      0.00000
    155       3.9112      0.00000
    156       3.9647      0.00000
    157       3.9974      0.00000
    158       4.0281      0.00000
    159       4.0312      0.00000
    160       4.0829      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3862      1.00000
      2     -21.8276      1.00000
      3     -21.6382      1.00000
      4     -21.6032      1.00000
      5     -21.2757      1.00000
      6     -21.2286      1.00000
      7     -21.0533      1.00000
      8     -20.1686      1.00000
      9     -20.1224      1.00000
     10     -19.6142      1.00000
     11     -19.5880      1.00000
     12     -19.4129      1.00000
     13     -19.0921      1.00000
     14     -19.0533      1.00000
     15     -19.0490      1.00000
     16     -19.0362      1.00000
     17     -18.3644      1.00000
     18     -18.3447      1.00000
     19     -18.0144      1.00000
     20     -17.0706      1.00000
     21     -17.0217      1.00000
     22     -16.9479      1.00000
     23     -16.9341      1.00000
     24     -16.4733      1.00000
     25     -16.4611      1.00000
     26     -15.6070      1.00000
     27     -15.6065      1.00000
     28     -15.2478      1.00000
     29     -15.2358      1.00000
     30     -15.1894      1.00000
     31     -15.0992      1.00000
     32     -15.0664      1.00000
     33     -14.6962      1.00000
     34     -14.6954      1.00000
     35     -13.7233      1.00000
     36     -13.7231      1.00000
     37     -13.2336      1.00000
     38     -12.6231      1.00000
     39     -12.5790      1.00000
     40     -12.4522      1.00000
     41     -12.4469      1.00000
     42     -12.1039      1.00000
     43     -12.0991      1.00000
     44     -11.7195      1.00000
     45     -11.6808      1.00000
     46     -11.2446      1.00000
     47     -11.2239      1.00000
     48     -11.0157      1.00000
     49     -11.0040      1.00000
     50     -10.9257      1.00000
     51     -10.8969      1.00000
     52     -10.6353      1.00000
     53     -10.1708      1.00000
     54     -10.1476      1.00000
     55     -10.0838      1.00000
     56      -9.9903      1.00000
     57      -9.6947      1.00000
     58      -9.6879      1.00000
     59      -9.6680      1.00000
     60      -9.5904      1.00000
     61      -9.5666      1.00000
     62      -9.5515      1.00000
     63      -9.3112      1.00000
     64      -9.2985      1.00000
     65      -9.2813      1.00000
     66      -9.2416      1.00000
     67      -9.1200      1.00000
     68      -9.1111      1.00000
     69      -9.1092      1.00000
     70      -8.9372      1.00000
     71      -8.8739      1.00000
     72      -8.6045      1.00000
     73      -8.5857      1.00000
     74      -8.2702      1.00000
     75      -8.1010      1.00000
     76      -7.8667      1.00000
     77      -7.8417      1.00000
     78      -7.7897      1.00000
     79      -7.7638      1.00000
     80      -7.7548      1.00000
     81      -7.4478      1.00000
     82      -7.3339      1.00000
     83      -7.3225      1.00000
     84      -7.2646      1.00000
     85      -7.1603      1.00000
     86      -7.0145      1.00000
     87      -6.9850      1.00000
     88      -6.7164      1.00000
     89      -6.6887      1.00000
     90      -6.6302      1.00000
     91      -6.5891      1.00000
     92      -6.1175      1.00000
     93      -6.0585      1.00000
     94      -6.0434      1.00000
     95      -6.0281      1.00000
     96      -5.7468      1.00000
     97      -4.9751      1.00000
     98      -4.8394      1.00000
     99      -4.7084      1.00000
    100      -4.6728      1.00000
    101      -4.4840      1.00000
    102      -4.3534      1.00000
    103      -4.1118      1.00000
    104      -4.0558      1.00000
    105      -3.7553      1.00000
    106      -3.4667      1.00000
    107      -1.9519      0.00000
    108      -1.7717      0.00000
    109      -1.4804      0.00000
    110      -1.3562      0.00000
    111      -1.3364      0.00000
    112      -1.2933      0.00000
    113      -0.6791      0.00000
    114      -0.4723      0.00000
    115      -0.2366      0.00000
    116       0.0527      0.00000
    117       0.5828      0.00000
    118       0.6908      0.00000
    119       0.7690      0.00000
    120       1.0214      0.00000
    121       1.0949      0.00000
    122       1.1743      0.00000
    123       1.2493      0.00000
    124       1.3298      0.00000
    125       1.4247      0.00000
    126       1.5846      0.00000
    127       1.7550      0.00000
    128       1.8383      0.00000
    129       1.8571      0.00000
    130       1.8836      0.00000
    131       2.0429      0.00000
    132       2.2086      0.00000
    133       2.2198      0.00000
    134       2.2694      0.00000
    135       2.4689      0.00000
    136       2.5983      0.00000
    137       2.6332      0.00000
    138       2.7346      0.00000
    139       2.7694      0.00000
    140       2.8325      0.00000
    141       2.8400      0.00000
    142       2.8625      0.00000
    143       2.9397      0.00000
    144       3.0629      0.00000
    145       3.2952      0.00000
    146       3.3459      0.00000
    147       3.3915      0.00000
    148       3.4070      0.00000
    149       3.4102      0.00000
    150       3.5690      0.00000
    151       3.6349      0.00000
    152       3.6529      0.00000
    153       3.7151      0.00000
    154       3.8826      0.00000
    155       3.9054      0.00000
    156       3.9410      0.00000
    157       4.0948      0.00000
    158       4.1877      0.00000
    159       4.2254      0.00000
    160       4.2688      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2065      1.00000
      2     -22.1155      1.00000
      3     -21.9533      1.00000
      4     -21.4014      1.00000
      5     -21.0430      1.00000
      6     -21.0145      1.00000
      7     -20.4932      1.00000
      8     -20.4630      1.00000
      9     -20.2832      1.00000
     10     -20.2812      1.00000
     11     -19.9538      1.00000
     12     -19.8906      1.00000
     13     -18.8809      1.00000
     14     -18.8131      1.00000
     15     -18.3353      1.00000
     16     -18.3162      1.00000
     17     -18.1467      1.00000
     18     -18.1392      1.00000
     19     -17.8135      1.00000
     20     -17.7954      1.00000
     21     -17.2564      1.00000
     22     -17.2367      1.00000
     23     -17.1587      1.00000
     24     -17.1334      1.00000
     25     -16.1134      1.00000
     26     -15.8779      1.00000
     27     -15.8667      1.00000
     28     -15.8390      1.00000
     29     -15.2296      1.00000
     30     -14.5490      1.00000
     31     -14.5305      1.00000
     32     -14.2745      1.00000
     33     -13.9733      1.00000
     34     -13.9495      1.00000
     35     -13.8235      1.00000
     36     -13.8012      1.00000
     37     -13.6025      1.00000
     38     -13.5770      1.00000
     39     -13.3668      1.00000
     40     -12.6359      1.00000
     41     -12.1676      1.00000
     42     -12.1411      1.00000
     43     -12.0656      1.00000
     44     -12.0186      1.00000
     45     -11.6638      1.00000
     46     -11.6589      1.00000
     47     -11.1357      1.00000
     48     -11.1246      1.00000
     49     -10.7886      1.00000
     50     -10.7323      1.00000
     51     -10.5344      1.00000
     52     -10.2067      1.00000
     53     -10.2005      1.00000
     54     -10.1676      1.00000
     55     -10.0210      1.00000
     56      -9.9916      1.00000
     57      -9.9885      1.00000
     58      -9.8036      1.00000
     59      -9.7944      1.00000
     60      -9.7639      1.00000
     61      -9.7561      1.00000
     62      -9.4529      1.00000
     63      -9.4154      1.00000
     64      -9.0834      1.00000
     65      -9.0445      1.00000
     66      -9.0236      1.00000
     67      -8.9693      1.00000
     68      -8.8958      1.00000
     69      -8.7070      1.00000
     70      -8.6977      1.00000
     71      -8.5590      1.00000
     72      -8.5480      1.00000
     73      -8.4764      1.00000
     74      -8.4584      1.00000
     75      -8.4553      1.00000
     76      -8.3071      1.00000
     77      -8.0934      1.00000
     78      -8.0871      1.00000
     79      -7.9255      1.00000
     80      -7.8301      1.00000
     81      -7.5992      1.00000
     82      -7.5368      1.00000
     83      -7.4410      1.00000
     84      -7.3158      1.00000
     85      -6.9936      1.00000
     86      -6.9189      1.00000
     87      -6.8817      1.00000
     88      -6.5276      1.00000
     89      -6.5138      1.00000
     90      -6.4801      1.00000
     91      -6.4191      1.00000
     92      -5.9260      1.00000
     93      -5.9042      1.00000
     94      -5.7877      1.00000
     95      -5.7739      1.00000
     96      -5.3688      1.00000
     97      -5.3625      1.00000
     98      -5.2195      1.00000
     99      -5.2146      1.00000
    100      -5.1980      1.00000
    101      -4.7204      1.00000
    102      -4.4429      1.00000
    103      -4.1919      1.00000
    104      -3.8214      1.00000
    105      -3.5671      1.00000
    106      -3.2213      1.00000
    107      -2.5630      0.00000
    108      -1.4648      0.00000
    109      -1.2674      0.00000
    110      -1.1859      0.00000
    111      -1.1843      0.00000
    112      -0.6458      0.00000
    113      -0.5524      0.00000
    114      -0.4158      0.00000
    115      -0.3486      0.00000
    116      -0.0782      0.00000
    117      -0.0645      0.00000
    118       0.1266      0.00000
    119       0.5915      0.00000
    120       0.6254      0.00000
    121       0.8514      0.00000
    122       0.9801      0.00000
    123       1.0010      0.00000
    124       1.4907      0.00000
    125       1.6759      0.00000
    126       1.7447      0.00000
    127       1.8455      0.00000
    128       2.0965      0.00000
    129       2.1360      0.00000
    130       2.1839      0.00000
    131       2.2073      0.00000
    132       2.2529      0.00000
    133       2.3443      0.00000
    134       2.4880      0.00000
    135       2.5122      0.00000
    136       2.6510      0.00000
    137       2.8495      0.00000
    138       2.8548      0.00000
    139       2.9432      0.00000
    140       2.9720      0.00000
    141       3.0133      0.00000
    142       3.1273      0.00000
    143       3.1841      0.00000
    144       3.2233      0.00000
    145       3.2358      0.00000
    146       3.2725      0.00000
    147       3.2968      0.00000
    148       3.3474      0.00000
    149       3.4026      0.00000
    150       3.5337      0.00000
    151       3.5536      0.00000
    152       3.6356      0.00000
    153       3.6473      0.00000
    154       3.6925      0.00000
    155       3.7140      0.00000
    156       3.8900      0.00000
    157       3.9371      0.00000
    158       4.0182      0.00000
    159       4.0573      0.00000
    160       4.1643      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2799      1.00000
      2     -22.0752      1.00000
      3     -21.7170      1.00000
      4     -21.6778      1.00000
      5     -20.9797      1.00000
      6     -20.9319      1.00000
      7     -20.6084      1.00000
      8     -20.5761      1.00000
      9     -20.5626      1.00000
     10     -20.0293      1.00000
     11     -19.5107      1.00000
     12     -19.4806      1.00000
     13     -19.3086      1.00000
     14     -19.2957      1.00000
     15     -18.4472      1.00000
     16     -18.4040      1.00000
     17     -17.9253      1.00000
     18     -17.9050      1.00000
     19     -17.7638      1.00000
     20     -17.7188      1.00000
     21     -17.4396      1.00000
     22     -17.4211      1.00000
     23     -17.3364      1.00000
     24     -16.4693      1.00000
     25     -16.4588      1.00000
     26     -15.9676      1.00000
     27     -15.4086      1.00000
     28     -15.4077      1.00000
     29     -15.0938      1.00000
     30     -15.0906      1.00000
     31     -14.8516      1.00000
     32     -14.8395      1.00000
     33     -14.2961      1.00000
     34     -14.2524      1.00000
     35     -13.4429      1.00000
     36     -13.3990      1.00000
     37     -13.1735      1.00000
     38     -13.1722      1.00000
     39     -12.9825      1.00000
     40     -12.9736      1.00000
     41     -12.6092      1.00000
     42     -12.6073      1.00000
     43     -12.1954      1.00000
     44     -11.5775      1.00000
     45     -11.5362      1.00000
     46     -11.3113      1.00000
     47     -11.2809      1.00000
     48     -11.1409      1.00000
     49     -10.6918      1.00000
     50     -10.6623      1.00000
     51     -10.5456      1.00000
     52     -10.3205      1.00000
     53     -10.3128      1.00000
     54     -10.1731      1.00000
     55     -10.1206      1.00000
     56     -10.1070      1.00000
     57      -9.8094      1.00000
     58      -9.7507      1.00000
     59      -9.7505      1.00000
     60      -9.7005      1.00000
     61      -9.6966      1.00000
     62      -9.6442      1.00000
     63      -9.3512      1.00000
     64      -9.3496      1.00000
     65      -9.3165      1.00000
     66      -9.0263      1.00000
     67      -8.9602      1.00000
     68      -8.9562      1.00000
     69      -8.7731      1.00000
     70      -8.5905      1.00000
     71      -8.5869      1.00000
     72      -8.4218      1.00000
     73      -8.3475      1.00000
     74      -8.3218      1.00000
     75      -8.3010      1.00000
     76      -8.2650      1.00000
     77      -8.2537      1.00000
     78      -8.2383      1.00000
     79      -7.9196      1.00000
     80      -7.7327      1.00000
     81      -7.3787      1.00000
     82      -7.3493      1.00000
     83      -7.3248      1.00000
     84      -7.2169      1.00000
     85      -7.1588      1.00000
     86      -7.0631      1.00000
     87      -6.9593      1.00000
     88      -6.9032      1.00000
     89      -6.6132      1.00000
     90      -6.5564      1.00000
     91      -6.2710      1.00000
     92      -5.9954      1.00000
     93      -5.9583      1.00000
     94      -5.6743      1.00000
     95      -5.6479      1.00000
     96      -5.3867      1.00000
     97      -5.3142      1.00000
     98      -5.2932      1.00000
     99      -5.2111      1.00000
    100      -5.1996      1.00000
    101      -4.5123      1.00000
    102      -4.3402      1.00000
    103      -3.9968      1.00000
    104      -3.8861      1.00000
    105      -3.7934      1.00000
    106      -3.4444      1.00000
    107      -2.0357      0.00000
    108      -1.8639      0.00000
    109      -1.2188      0.00000
    110      -1.1844      0.00000
    111      -1.0366      0.00000
    112      -0.7732      0.00000
    113      -0.6780      0.00000
    114      -0.6609      0.00000
    115      -0.6108      0.00000
    116      -0.1008      0.00000
    117       0.2209      0.00000
    118       0.2399      0.00000
    119       0.7647      0.00000
    120       0.9796      0.00000
    121       1.0726      0.00000
    122       1.2388      0.00000
    123       1.2493      0.00000
    124       1.3377      0.00000
    125       1.5714      0.00000
    126       1.5826      0.00000
    127       1.6870      0.00000
    128       1.7886      0.00000
    129       1.9366      0.00000
    130       1.9416      0.00000
    131       2.0792      0.00000
    132       2.2893      0.00000
    133       2.3366      0.00000
    134       2.4067      0.00000
    135       2.5278      0.00000
    136       2.6187      0.00000
    137       2.7578      0.00000
    138       2.8159      0.00000
    139       2.8345      0.00000
    140       2.8516      0.00000
    141       3.0237      0.00000
    142       3.0903      0.00000
    143       3.1377      0.00000
    144       3.2028      0.00000
    145       3.3636      0.00000
    146       3.4030      0.00000
    147       3.4840      0.00000
    148       3.5188      0.00000
    149       3.5835      0.00000
    150       3.5946      0.00000
    151       3.6265      0.00000
    152       3.7255      0.00000
    153       3.7312      0.00000
    154       3.7613      0.00000
    155       3.8063      0.00000
    156       3.8635      0.00000
    157       4.0071      0.00000
    158       4.0736      0.00000
    159       4.1525      0.00000
    160       4.1906      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4229      1.00000
      2     -21.6003      1.00000
      3     -21.4781      1.00000
      4     -21.4692      1.00000
      5     -21.4375      1.00000
      6     -21.4368      1.00000
      7     -21.4265      1.00000
      8     -19.7049      1.00000
      9     -19.6498      1.00000
     10     -19.6266      1.00000
     11     -19.6154      1.00000
     12     -19.6101      1.00000
     13     -19.6092      1.00000
     14     -18.7874      1.00000
     15     -18.7521      1.00000
     16     -18.7323      1.00000
     17     -18.7229      1.00000
     18     -18.7155      1.00000
     19     -18.7101      1.00000
     20     -16.6336      1.00000
     21     -16.6076      1.00000
     22     -16.5831      1.00000
     23     -16.5797      1.00000
     24     -16.5528      1.00000
     25     -16.5509      1.00000
     26     -15.6119      1.00000
     27     -15.5996      1.00000
     28     -15.5963      1.00000
     29     -15.5622      1.00000
     30     -15.5603      1.00000
     31     -15.5591      1.00000
     32     -14.2579      1.00000
     33     -14.2488      1.00000
     34     -14.2387      1.00000
     35     -14.2337      1.00000
     36     -14.2205      1.00000
     37     -14.2173      1.00000
     38     -11.9048      1.00000
     39     -11.8780      1.00000
     40     -11.8667      1.00000
     41     -11.8648      1.00000
     42     -11.8438      1.00000
     43     -11.8437      1.00000
     44     -11.7690      1.00000
     45     -11.7664      1.00000
     46     -11.7334      1.00000
     47     -11.7268      1.00000
     48     -11.7228      1.00000
     49     -11.7199      1.00000
     50     -10.6742      1.00000
     51     -10.3867      1.00000
     52     -10.3818      1.00000
     53     -10.3748      1.00000
     54     -10.3666      1.00000
     55     -10.3535      1.00000
     56     -10.3515      1.00000
     57      -9.9027      1.00000
     58      -9.4482      1.00000
     59      -9.4031      1.00000
     60      -9.3599      1.00000
     61      -9.3593      1.00000
     62      -9.3513      1.00000
     63      -9.1411      1.00000
     64      -9.1207      1.00000
     65      -9.1198      1.00000
     66      -9.0837      1.00000
     67      -9.0705      1.00000
     68      -9.0700      1.00000
     69      -9.0694      1.00000
     70      -9.0630      1.00000
     71      -9.0630      1.00000
     72      -9.0378      1.00000
     73      -9.0281      1.00000
     74      -9.0248      1.00000
     75      -8.1288      1.00000
     76      -7.7477      1.00000
     77      -7.4681      1.00000
     78      -7.4655      1.00000
     79      -7.4532      1.00000
     80      -7.4333      1.00000
     81      -7.4236      1.00000
     82      -7.4058      1.00000
     83      -7.3112      1.00000
     84      -7.2692      1.00000
     85      -7.2554      1.00000
     86      -7.2470      1.00000
     87      -7.1479      1.00000
     88      -7.0485      1.00000
     89      -6.4446      1.00000
     90      -6.4148      1.00000
     91      -6.3991      1.00000
     92      -6.3621      1.00000
     93      -6.3513      1.00000
     94      -6.3392      1.00000
     95      -5.9584      1.00000
     96      -5.9582      1.00000
     97      -4.8075      1.00000
     98      -4.5448      1.00000
     99      -4.4811      1.00000
    100      -4.4745      1.00000
    101      -4.3817      1.00000
    102      -4.3811      1.00000
    103      -4.2677      1.00000
    104      -4.1880      1.00000
    105      -3.7395      1.00000
    106      -3.4790      1.00000
    107      -1.8634      0.00000
    108      -1.6707      0.00000
    109      -1.6248      0.00000
    110      -1.5919      0.00000
    111      -1.5763      0.00000
    112      -1.5754      0.00000
    113      -0.4287      0.00000
    114       0.1452      0.00000
    115       0.1905      0.00000
    116       0.2543      0.00000
    117       0.2663      0.00000
    118       0.2699      0.00000
    119       0.4783      0.00000
    120       0.5425      0.00000
    121       1.2415      0.00000
    122       1.2899      0.00000
    123       1.5216      0.00000
    124       1.7659      0.00000
    125       1.7683      0.00000
    126       1.7685      0.00000
    127       1.7948      0.00000
    128       1.8255      0.00000
    129       1.9561      0.00000
    130       1.9644      0.00000
    131       1.9717      0.00000
    132       1.9865      0.00000
    133       1.9939      0.00000
    134       2.0723      0.00000
    135       2.2380      0.00000
    136       2.3401      0.00000
    137       2.5898      0.00000
    138       2.5899      0.00000
    139       2.6145      0.00000
    140       2.6819      0.00000
    141       2.9253      0.00000
    142       3.0369      0.00000
    143       3.0550      0.00000
    144       3.0856      0.00000
    145       3.0872      0.00000
    146       3.0898      0.00000
    147       3.0912      0.00000
    148       3.2573      0.00000
    149       3.4381      0.00000
    150       3.4890      0.00000
    151       3.8113      0.00000
    152       3.9209      0.00000
    153       3.9216      0.00000
    154       3.9234      0.00000
    155       3.9446      0.00000
    156       3.9863      0.00000
    157       4.1743      0.00000
    158       4.2572      0.00000
    159       4.2637      0.00000
    160       4.2786      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3863      1.00000
      2     -21.8273      1.00000
      3     -21.6350      1.00000
      4     -21.6071      1.00000
      5     -21.2716      1.00000
      6     -21.2321      1.00000
      7     -21.0537      1.00000
      8     -20.1649      1.00000
      9     -20.1265      1.00000
     10     -19.6058      1.00000
     11     -19.5948      1.00000
     12     -19.4145      1.00000
     13     -19.0872      1.00000
     14     -19.0573      1.00000
     15     -19.0463      1.00000
     16     -19.0388      1.00000
     17     -18.3582      1.00000
     18     -18.3499      1.00000
     19     -18.0168      1.00000
     20     -17.0674      1.00000
     21     -17.0285      1.00000
     22     -16.9422      1.00000
     23     -16.9382      1.00000
     24     -16.4663      1.00000
     25     -16.4616      1.00000
     26     -15.6115      1.00000
     27     -15.6049      1.00000
     28     -15.2505      1.00000
     29     -15.2416      1.00000
     30     -15.1826      1.00000
     31     -15.0959      1.00000
     32     -15.0691      1.00000
     33     -14.6964      1.00000
     34     -14.6945      1.00000
     35     -13.7247      1.00000
     36     -13.7223      1.00000
     37     -13.2342      1.00000
     38     -12.6132      1.00000
     39     -12.5830      1.00000
     40     -12.4518      1.00000
     41     -12.4481      1.00000
     42     -12.1082      1.00000
     43     -12.1036      1.00000
     44     -11.7151      1.00000
     45     -11.6841      1.00000
     46     -11.2343      1.00000
     47     -11.2252      1.00000
     48     -11.0159      1.00000
     49     -11.0079      1.00000
     50     -10.9245      1.00000
     51     -10.9031      1.00000
     52     -10.6292      1.00000
     53     -10.1535      1.00000
     54     -10.1490      1.00000
     55     -10.0910      1.00000
     56      -9.9968      1.00000
     57      -9.7010      1.00000
     58      -9.6935      1.00000
     59      -9.6536      1.00000
     60      -9.5902      1.00000
     61      -9.5759      1.00000
     62      -9.5572      1.00000
     63      -9.3058      1.00000
     64      -9.3018      1.00000
     65      -9.2721      1.00000
     66      -9.2350      1.00000
     67      -9.1344      1.00000
     68      -9.1139      1.00000
     69      -9.1097      1.00000
     70      -8.9374      1.00000
     71      -8.8707      1.00000
     72      -8.6040      1.00000
     73      -8.5904      1.00000
     74      -8.2353      1.00000
     75      -8.1003      1.00000
     76      -7.9124      1.00000
     77      -7.8628      1.00000
     78      -7.7709      1.00000
     79      -7.7560      1.00000
     80      -7.6904      1.00000
     81      -7.5609      1.00000
     82      -7.3382      1.00000
     83      -7.3221      1.00000
     84      -7.2025      1.00000
     85      -7.1222      1.00000
     86      -7.0305      1.00000
     87      -7.0116      1.00000
     88      -6.7030      1.00000
     89      -6.6764      1.00000
     90      -6.6396      1.00000
     91      -6.5962      1.00000
     92      -6.1160      1.00000
     93      -6.0615      1.00000
     94      -6.0307      1.00000
     95      -6.0101      1.00000
     96      -5.7824      1.00000
     97      -4.9749      1.00000
     98      -4.8317      1.00000
     99      -4.7466      1.00000
    100      -4.6789      1.00000
    101      -4.4693      1.00000
    102      -4.2045      1.00000
    103      -4.1720      1.00000
    104      -4.1278      1.00000
    105      -3.7298      1.00000
    106      -3.4892      1.00000
    107      -1.8715      0.00000
    108      -1.8092      0.00000
    109      -1.5256      0.00000
    110      -1.3780      0.00000
    111      -1.3220      0.00000
    112      -1.2887      0.00000
    113      -0.7207      0.00000
    114      -0.3766      0.00000
    115      -0.2507      0.00000
    116       0.0384      0.00000
    117       0.5521      0.00000
    118       0.6963      0.00000
    119       0.7447      0.00000
    120       1.0466      0.00000
    121       1.0980      0.00000
    122       1.1464      0.00000
    123       1.2253      0.00000
    124       1.3721      0.00000
    125       1.5175      0.00000
    126       1.5693      0.00000
    127       1.7090      0.00000
    128       1.8069      0.00000
    129       1.8540      0.00000
    130       1.8785      0.00000
    131       2.0911      0.00000
    132       2.1760      0.00000
    133       2.2342      0.00000
    134       2.2924      0.00000
    135       2.4988      0.00000
    136       2.5707      0.00000
    137       2.6276      0.00000
    138       2.7639      0.00000
    139       2.7830      0.00000
    140       2.8202      0.00000
    141       2.8509      0.00000
    142       2.8837      0.00000
    143       2.9354      0.00000
    144       3.0595      0.00000
    145       3.1386      0.00000
    146       3.2969      0.00000
    147       3.3732      0.00000
    148       3.4223      0.00000
    149       3.4491      0.00000
    150       3.5923      0.00000
    151       3.6348      0.00000
    152       3.6475      0.00000
    153       3.6959      0.00000
    154       3.8853      0.00000
    155       3.9436      0.00000
    156       4.0028      0.00000
    157       4.0543      0.00000
    158       4.2085      0.00000
    159       4.2323      0.00000
    160       4.2618      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2803      1.00000
      2     -22.0747      1.00000
      3     -21.7135      1.00000
      4     -21.6815      1.00000
      5     -20.9765      1.00000
      6     -20.9357      1.00000
      7     -20.6090      1.00000
      8     -20.5722      1.00000
      9     -20.5659      1.00000
     10     -20.0298      1.00000
     11     -19.5007      1.00000
     12     -19.4890      1.00000
     13     -19.3041      1.00000
     14     -19.2990      1.00000
     15     -18.4454      1.00000
     16     -18.4085      1.00000
     17     -17.9201      1.00000
     18     -17.9107      1.00000
     19     -17.7595      1.00000
     20     -17.7236      1.00000
     21     -17.4339      1.00000
     22     -17.4265      1.00000
     23     -17.3391      1.00000
     24     -16.4611      1.00000
     25     -16.4599      1.00000
     26     -15.9644      1.00000
     27     -15.4119      1.00000
     28     -15.4067      1.00000
     29     -15.0943      1.00000
     30     -15.0911      1.00000
     31     -14.8535      1.00000
     32     -14.8460      1.00000
     33     -14.2887      1.00000
     34     -14.2558      1.00000
     35     -13.4354      1.00000
     36     -13.4029      1.00000
     37     -13.1759      1.00000
     38     -13.1726      1.00000
     39     -12.9788      1.00000
     40     -12.9740      1.00000
     41     -12.6117      1.00000
     42     -12.6085      1.00000
     43     -12.1965      1.00000
     44     -11.5744      1.00000
     45     -11.5405      1.00000
     46     -11.3085      1.00000
     47     -11.2856      1.00000
     48     -11.1410      1.00000
     49     -10.6756      1.00000
     50     -10.6597      1.00000
     51     -10.5516      1.00000
     52     -10.3219      1.00000
     53     -10.3159      1.00000
     54     -10.1668      1.00000
     55     -10.1146      1.00000
     56     -10.1118      1.00000
     57      -9.7961      1.00000
     58      -9.7637      1.00000
     59      -9.7501      1.00000
     60      -9.6983      1.00000
     61      -9.6954      1.00000
     62      -9.6596      1.00000
     63      -9.3532      1.00000
     64      -9.3499      1.00000
     65      -9.3138      1.00000
     66      -9.0397      1.00000
     67      -8.9609      1.00000
     68      -8.9480      1.00000
     69      -8.7974      1.00000
     70      -8.5935      1.00000
     71      -8.5560      1.00000
     72      -8.3967      1.00000
     73      -8.3629      1.00000
     74      -8.3237      1.00000
     75      -8.3060      1.00000
     76      -8.2582      1.00000
     77      -8.2565      1.00000
     78      -8.2351      1.00000
     79      -7.9030      1.00000
     80      -7.6504      1.00000
     81      -7.5495      1.00000
     82      -7.3859      1.00000
     83      -7.3487      1.00000
     84      -7.2306      1.00000
     85      -7.0944      1.00000
     86      -7.0374      1.00000
     87      -6.9321      1.00000
     88      -6.8469      1.00000
     89      -6.6121      1.00000
     90      -6.5587      1.00000
     91      -6.2694      1.00000
     92      -6.0429      1.00000
     93      -5.9504      1.00000
     94      -5.6619      1.00000
     95      -5.6216      1.00000
     96      -5.4629      1.00000
     97      -5.3194      1.00000
     98      -5.2779      1.00000
     99      -5.2131      1.00000
    100      -5.1929      1.00000
    101      -4.5092      1.00000
    102      -4.2089      1.00000
    103      -4.0598      1.00000
    104      -3.9891      1.00000
    105      -3.6943      1.00000
    106      -3.4995      1.00000
    107      -1.9473      0.00000
    108      -1.8965      0.00000
    109      -1.3405      0.00000
    110      -1.0855      0.00000
    111      -1.0587      0.00000
    112      -0.8013      0.00000
    113      -0.6782      0.00000
    114      -0.6478      0.00000
    115      -0.6084      0.00000
    116      -0.1074      0.00000
    117       0.2139      0.00000
    118       0.3297      0.00000
    119       0.6901      0.00000
    120       0.8850      0.00000
    121       1.1248      0.00000
    122       1.1970      0.00000
    123       1.3220      0.00000
    124       1.4142      0.00000
    125       1.5495      0.00000
    126       1.5729      0.00000
    127       1.6675      0.00000
    128       1.8012      0.00000
    129       1.8676      0.00000
    130       2.0422      0.00000
    131       2.1156      0.00000
    132       2.3220      0.00000
    133       2.3567      0.00000
    134       2.3835      0.00000
    135       2.5298      0.00000
    136       2.6212      0.00000
    137       2.7186      0.00000
    138       2.7484      0.00000
    139       2.8144      0.00000
    140       2.8656      0.00000
    141       3.0266      0.00000
    142       3.0458      0.00000
    143       3.1461      0.00000
    144       3.2502      0.00000
    145       3.3491      0.00000
    146       3.4014      0.00000
    147       3.4152      0.00000
    148       3.5504      0.00000
    149       3.5638      0.00000
    150       3.5827      0.00000
    151       3.6508      0.00000
    152       3.6631      0.00000
    153       3.7675      0.00000
    154       3.7824      0.00000
    155       3.7950      0.00000
    156       3.8801      0.00000
    157       3.9060      0.00000
    158       3.9798      0.00000
    159       4.1961      0.00000
    160       4.2123      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3143      1.00000
      2     -21.9597      1.00000
      3     -21.8903      1.00000
      4     -21.3779      1.00000
      5     -21.3485      1.00000
      6     -20.8368      1.00000
      7     -20.7713      1.00000
      8     -20.6212      1.00000
      9     -20.0748      1.00000
     10     -20.0691      1.00000
     11     -19.7142      1.00000
     12     -19.6895      1.00000
     13     -18.9940      1.00000
     14     -18.9880      1.00000
     15     -18.6382      1.00000
     16     -18.6222      1.00000
     17     -18.4598      1.00000
     18     -17.6736      1.00000
     19     -17.6228      1.00000
     20     -17.6200      1.00000
     21     -17.5781      1.00000
     22     -17.1247      1.00000
     23     -17.1030      1.00000
     24     -16.9605      1.00000
     25     -16.0004      1.00000
     26     -15.9266      1.00000
     27     -15.5834      1.00000
     28     -15.5831      1.00000
     29     -15.2851      1.00000
     30     -14.8623      1.00000
     31     -14.8349      1.00000
     32     -14.5776      1.00000
     33     -14.5356      1.00000
     34     -14.1668      1.00000
     35     -14.1532      1.00000
     36     -13.1471      1.00000
     37     -13.0980      1.00000
     38     -13.0282      1.00000
     39     -13.0182      1.00000
     40     -12.7077      1.00000
     41     -12.7036      1.00000
     42     -12.3390      1.00000
     43     -12.3077      1.00000
     44     -11.6349      1.00000
     45     -11.6212      1.00000
     46     -11.5697      1.00000
     47     -10.9477      1.00000
     48     -10.9145      1.00000
     49     -10.6316      1.00000
     50     -10.6238      1.00000
     51     -10.5459      1.00000
     52     -10.4978      1.00000
     53     -10.4975      1.00000
     54     -10.4391      1.00000
     55     -10.3589      1.00000
     56     -10.0972      1.00000
     57      -9.9008      1.00000
     58      -9.6073      1.00000
     59      -9.5549      1.00000
     60      -9.4508      1.00000
     61      -9.4105      1.00000
     62      -9.4036      1.00000
     63      -9.3758      1.00000
     64      -9.3755      1.00000
     65      -9.2851      1.00000
     66      -9.1679      1.00000
     67      -9.1426      1.00000
     68      -9.1134      1.00000
     69      -8.8634      1.00000
     70      -8.8558      1.00000
     71      -8.8136      1.00000
     72      -8.5948      1.00000
     73      -8.4781      1.00000
     74      -8.1977      1.00000
     75      -8.1622      1.00000
     76      -8.0071      1.00000
     77      -7.9639      1.00000
     78      -7.8500      1.00000
     79      -7.8397      1.00000
     80      -7.7039      1.00000
     81      -7.6967      1.00000
     82      -7.6201      1.00000
     83      -7.4481      1.00000
     84      -7.2984      1.00000
     85      -7.2530      1.00000
     86      -6.9058      1.00000
     87      -6.8921      1.00000
     88      -6.5872      1.00000
     89      -6.5499      1.00000
     90      -6.4063      1.00000
     91      -6.2520      1.00000
     92      -6.2314      1.00000
     93      -6.2051      1.00000
     94      -6.0220      1.00000
     95      -5.5495      1.00000
     96      -5.4882      1.00000
     97      -5.3500      1.00000
     98      -5.2189      1.00000
     99      -4.9788      1.00000
    100      -4.7325      1.00000
    101      -4.6777      1.00000
    102      -4.3875      1.00000
    103      -4.2042      1.00000
    104      -3.8719      1.00000
    105      -3.5461      1.00000
    106      -3.5117      1.00000
    107      -2.2565      0.00000
    108      -1.4584      0.00000
    109      -1.3716      0.00000
    110      -1.2425      0.00000
    111      -1.0989      0.00000
    112      -0.9458      0.00000
    113      -0.8645      0.00000
    114      -0.8041      0.00000
    115      -0.1384      0.00000
    116       0.1103      0.00000
    117       0.2397      0.00000
    118       0.3775      0.00000
    119       0.6471      0.00000
    120       0.8343      0.00000
    121       0.9349      0.00000
    122       1.0607      0.00000
    123       1.2276      0.00000
    124       1.4447      0.00000
    125       1.5356      0.00000
    126       1.7639      0.00000
    127       1.7881      0.00000
    128       1.8635      0.00000
    129       1.9544      0.00000
    130       2.0380      0.00000
    131       2.1632      0.00000
    132       2.1875      0.00000
    133       2.3978      0.00000
    134       2.4498      0.00000
    135       2.5254      0.00000
    136       2.6011      0.00000
    137       2.6355      0.00000
    138       2.6883      0.00000
    139       2.7541      0.00000
    140       2.8190      0.00000
    141       2.9345      0.00000
    142       3.0621      0.00000
    143       3.1862      0.00000
    144       3.1993      0.00000
    145       3.2428      0.00000
    146       3.2953      0.00000
    147       3.3113      0.00000
    148       3.4502      0.00000
    149       3.4839      0.00000
    150       3.6905      0.00000
    151       3.6991      0.00000
    152       3.7152      0.00000
    153       3.8489      0.00000
    154       3.9000      0.00000
    155       3.9212      0.00000
    156       3.9706      0.00000
    157       4.0007      0.00000
    158       4.0313      0.00000
    159       4.0434      0.00000
    160       4.0459      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2074      1.00000
      2     -22.1142      1.00000
      3     -21.9535      1.00000
      4     -21.4013      1.00000
      5     -21.0469      1.00000
      6     -21.0108      1.00000
      7     -20.4979      1.00000
      8     -20.4583      1.00000
      9     -20.2921      1.00000
     10     -20.2727      1.00000
     11     -19.9549      1.00000
     12     -19.8890      1.00000
     13     -18.8801      1.00000
     14     -18.8113      1.00000
     15     -18.3507      1.00000
     16     -18.3043      1.00000
     17     -18.1509      1.00000
     18     -18.1336      1.00000
     19     -17.8247      1.00000
     20     -17.7870      1.00000
     21     -17.2502      1.00000
     22     -17.2401      1.00000
     23     -17.1633      1.00000
     24     -17.1309      1.00000
     25     -16.1073      1.00000
     26     -15.8829      1.00000
     27     -15.8678      1.00000
     28     -15.8328      1.00000
     29     -15.2353      1.00000
     30     -14.5534      1.00000
     31     -14.5254      1.00000
     32     -14.2792      1.00000
     33     -13.9624      1.00000
     34     -13.9549      1.00000
     35     -13.8193      1.00000
     36     -13.8035      1.00000
     37     -13.6133      1.00000
     38     -13.5693      1.00000
     39     -13.3667      1.00000
     40     -12.6319      1.00000
     41     -12.1800      1.00000
     42     -12.1318      1.00000
     43     -12.0698      1.00000
     44     -12.0174      1.00000
     45     -11.6688      1.00000
     46     -11.6552      1.00000
     47     -11.1382      1.00000
     48     -11.1175      1.00000
     49     -10.7931      1.00000
     50     -10.7294      1.00000
     51     -10.5276      1.00000
     52     -10.2074      1.00000
     53     -10.2041      1.00000
     54     -10.1619      1.00000
     55     -10.0165      1.00000
     56     -10.0020      1.00000
     57      -9.9889      1.00000
     58      -9.7999      1.00000
     59      -9.7962      1.00000
     60      -9.7619      1.00000
     61      -9.7571      1.00000
     62      -9.4532      1.00000
     63      -9.4155      1.00000
     64      -9.0791      1.00000
     65      -9.0714      1.00000
     66      -9.0395      1.00000
     67      -8.9549      1.00000
     68      -8.8751      1.00000
     69      -8.7112      1.00000
     70      -8.6989      1.00000
     71      -8.5648      1.00000
     72      -8.5419      1.00000
     73      -8.4979      1.00000
     74      -8.4617      1.00000
     75      -8.4521      1.00000
     76      -8.2587      1.00000
     77      -8.1238      1.00000
     78      -8.0415      1.00000
     79      -7.9150      1.00000
     80      -7.8620      1.00000
     81      -7.6135      1.00000
     82      -7.5479      1.00000
     83      -7.4883      1.00000
     84      -7.2684      1.00000
     85      -6.9954      1.00000
     86      -6.9230      1.00000
     87      -6.8817      1.00000
     88      -6.5322      1.00000
     89      -6.4868      1.00000
     90      -6.4599      1.00000
     91      -6.4087      1.00000
     92      -5.9830      1.00000
     93      -5.8965      1.00000
     94      -5.7835      1.00000
     95      -5.7584      1.00000
     96      -5.4317      1.00000
     97      -5.3287      1.00000
     98      -5.2294      1.00000
     99      -5.2170      1.00000
    100      -5.1875      1.00000
    101      -4.6920      1.00000
    102      -4.4217      1.00000
    103      -4.2108      1.00000
    104      -3.8351      1.00000
    105      -3.5308      1.00000
    106      -3.2740      1.00000
    107      -2.5314      0.00000
    108      -1.4596      0.00000
    109      -1.2672      0.00000
    110      -1.2034      0.00000
    111      -1.1731      0.00000
    112      -0.7208      0.00000
    113      -0.5047      0.00000
    114      -0.4129      0.00000
    115      -0.3406      0.00000
    116      -0.1467      0.00000
    117      -0.0042      0.00000
    118       0.1949      0.00000
    119       0.5608      0.00000
    120       0.6109      0.00000
    121       0.7924      0.00000
    122       0.9033      0.00000
    123       1.1279      0.00000
    124       1.4836      0.00000
    125       1.6285      0.00000
    126       1.8344      0.00000
    127       1.9160      0.00000
    128       2.0923      0.00000
    129       2.1053      0.00000
    130       2.1400      0.00000
    131       2.1842      0.00000
    132       2.2770      0.00000
    133       2.3311      0.00000
    134       2.4674      0.00000
    135       2.5765      0.00000
    136       2.6466      0.00000
    137       2.8429      0.00000
    138       2.8672      0.00000
    139       2.8859      0.00000
    140       2.9835      0.00000
    141       3.0020      0.00000
    142       3.1306      0.00000
    143       3.1704      0.00000
    144       3.2138      0.00000
    145       3.2612      0.00000
    146       3.2760      0.00000
    147       3.2947      0.00000
    148       3.3397      0.00000
    149       3.4102      0.00000
    150       3.4283      0.00000
    151       3.5353      0.00000
    152       3.6087      0.00000
    153       3.6966      0.00000
    154       3.7166      0.00000
    155       3.7600      0.00000
    156       3.8878      0.00000
    157       3.9181      0.00000
    158       3.9898      0.00000
    159       4.1118      0.00000
    160       4.2035      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3141      1.00000
      2     -21.9612      1.00000
      3     -21.8889      1.00000
      4     -21.3816      1.00000
      5     -21.3450      1.00000
      6     -20.8365      1.00000
      7     -20.7700      1.00000
      8     -20.6221      1.00000
      9     -20.0868      1.00000
     10     -20.0580      1.00000
     11     -19.7157      1.00000
     12     -19.6869      1.00000
     13     -19.0074      1.00000
     14     -18.9761      1.00000
     15     -18.6475      1.00000
     16     -18.6145      1.00000
     17     -18.4583      1.00000
     18     -17.6586      1.00000
     19     -17.6448      1.00000
     20     -17.6085      1.00000
     21     -17.5759      1.00000
     22     -17.1354      1.00000
     23     -17.0953      1.00000
     24     -16.9642      1.00000
     25     -16.0068      1.00000
     26     -15.9204      1.00000
     27     -15.5966      1.00000
     28     -15.5730      1.00000
     29     -15.2781      1.00000
     30     -14.8749      1.00000
     31     -14.8277      1.00000
     32     -14.5732      1.00000
     33     -14.5354      1.00000
     34     -14.1621      1.00000
     35     -14.1580      1.00000
     36     -13.1611      1.00000
     37     -13.0935      1.00000
     38     -13.0216      1.00000
     39     -13.0171      1.00000
     40     -12.7166      1.00000
     41     -12.6932      1.00000
     42     -12.3383      1.00000
     43     -12.3111      1.00000
     44     -11.6306      1.00000
     45     -11.6213      1.00000
     46     -11.5678      1.00000
     47     -10.9390      1.00000
     48     -10.9211      1.00000
     49     -10.6683      1.00000
     50     -10.5888      1.00000
     51     -10.5718      1.00000
     52     -10.4990      1.00000
     53     -10.4873      1.00000
     54     -10.4382      1.00000
     55     -10.3545      1.00000
     56     -10.1015      1.00000
     57      -9.8951      1.00000
     58      -9.6072      1.00000
     59      -9.5499      1.00000
     60      -9.4526      1.00000
     61      -9.4166      1.00000
     62      -9.4079      1.00000
     63      -9.3779      1.00000
     64      -9.3707      1.00000
     65      -9.2652      1.00000
     66      -9.1646      1.00000
     67      -9.1406      1.00000
     68      -9.1143      1.00000
     69      -8.8647      1.00000
     70      -8.8588      1.00000
     71      -8.8007      1.00000
     72      -8.5943      1.00000
     73      -8.5252      1.00000
     74      -8.1921      1.00000
     75      -8.1694      1.00000
     76      -8.0743      1.00000
     77      -7.8569      1.00000
     78      -7.8361      1.00000
     79      -7.8228      1.00000
     80      -7.7101      1.00000
     81      -7.6957      1.00000
     82      -7.5954      1.00000
     83      -7.5298      1.00000
     84      -7.3485      1.00000
     85      -7.1671      1.00000
     86      -6.9047      1.00000
     87      -6.8953      1.00000
     88      -6.5911      1.00000
     89      -6.5499      1.00000
     90      -6.4059      1.00000
     91      -6.3011      1.00000
     92      -6.2462      1.00000
     93      -6.2008      1.00000
     94      -6.0028      1.00000
     95      -5.5313      1.00000
     96      -5.4643      1.00000
     97      -5.3135      1.00000
     98      -5.2086      1.00000
     99      -5.0468      1.00000
    100      -4.7234      1.00000
    101      -4.6713      1.00000
    102      -4.4243      1.00000
    103      -4.1958      1.00000
    104      -3.8438      1.00000
    105      -3.6352      1.00000
    106      -3.4168      1.00000
    107      -2.2931      0.00000
    108      -1.5108      0.00000
    109      -1.2708      0.00000
    110      -1.2630      0.00000
    111      -1.0352      0.00000
    112      -0.9782      0.00000
    113      -0.8689      0.00000
    114      -0.8007      0.00000
    115      -0.2611      0.00000
    116       0.2030      0.00000
    117       0.2381      0.00000
    118       0.3602      0.00000
    119       0.6867      0.00000
    120       0.8921      0.00000
    121       0.9222      0.00000
    122       1.0376      0.00000
    123       1.1636      0.00000
    124       1.5048      0.00000
    125       1.5454      0.00000
    126       1.7023      0.00000
    127       1.7754      0.00000
    128       1.8279      0.00000
    129       1.9542      0.00000
    130       1.9712      0.00000
    131       2.1789      0.00000
    132       2.2459      0.00000
    133       2.4024      0.00000
    134       2.4542      0.00000
    135       2.5262      0.00000
    136       2.5963      0.00000
    137       2.6155      0.00000
    138       2.6908      0.00000
    139       2.7359      0.00000
    140       2.8471      0.00000
    141       3.0258      0.00000
    142       3.0609      0.00000
    143       3.1751      0.00000
    144       3.2310      0.00000
    145       3.2451      0.00000
    146       3.2806      0.00000
    147       3.3258      0.00000
    148       3.4355      0.00000
    149       3.5053      0.00000
    150       3.6835      0.00000
    151       3.7121      0.00000
    152       3.7303      0.00000
    153       3.8193      0.00000
    154       3.8760      0.00000
    155       3.9112      0.00000
    156       3.9647      0.00000
    157       3.9974      0.00000
    158       4.0281      0.00000
    159       4.0312      0.00000
    160       4.0829      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3862      1.00000
      2     -21.8276      1.00000
      3     -21.6382      1.00000
      4     -21.6032      1.00000
      5     -21.2757      1.00000
      6     -21.2286      1.00000
      7     -21.0533      1.00000
      8     -20.1686      1.00000
      9     -20.1224      1.00000
     10     -19.6142      1.00000
     11     -19.5880      1.00000
     12     -19.4129      1.00000
     13     -19.0921      1.00000
     14     -19.0533      1.00000
     15     -19.0490      1.00000
     16     -19.0362      1.00000
     17     -18.3644      1.00000
     18     -18.3447      1.00000
     19     -18.0144      1.00000
     20     -17.0706      1.00000
     21     -17.0217      1.00000
     22     -16.9479      1.00000
     23     -16.9341      1.00000
     24     -16.4733      1.00000
     25     -16.4611      1.00000
     26     -15.6070      1.00000
     27     -15.6065      1.00000
     28     -15.2478      1.00000
     29     -15.2358      1.00000
     30     -15.1894      1.00000
     31     -15.0992      1.00000
     32     -15.0664      1.00000
     33     -14.6962      1.00000
     34     -14.6954      1.00000
     35     -13.7233      1.00000
     36     -13.7231      1.00000
     37     -13.2336      1.00000
     38     -12.6231      1.00000
     39     -12.5790      1.00000
     40     -12.4522      1.00000
     41     -12.4469      1.00000
     42     -12.1039      1.00000
     43     -12.0991      1.00000
     44     -11.7195      1.00000
     45     -11.6808      1.00000
     46     -11.2446      1.00000
     47     -11.2239      1.00000
     48     -11.0157      1.00000
     49     -11.0040      1.00000
     50     -10.9257      1.00000
     51     -10.8969      1.00000
     52     -10.6353      1.00000
     53     -10.1708      1.00000
     54     -10.1476      1.00000
     55     -10.0838      1.00000
     56      -9.9903      1.00000
     57      -9.6947      1.00000
     58      -9.6879      1.00000
     59      -9.6680      1.00000
     60      -9.5904      1.00000
     61      -9.5666      1.00000
     62      -9.5515      1.00000
     63      -9.3112      1.00000
     64      -9.2985      1.00000
     65      -9.2813      1.00000
     66      -9.2416      1.00000
     67      -9.1200      1.00000
     68      -9.1111      1.00000
     69      -9.1092      1.00000
     70      -8.9372      1.00000
     71      -8.8739      1.00000
     72      -8.6045      1.00000
     73      -8.5857      1.00000
     74      -8.2702      1.00000
     75      -8.1010      1.00000
     76      -7.8667      1.00000
     77      -7.8417      1.00000
     78      -7.7897      1.00000
     79      -7.7638      1.00000
     80      -7.7548      1.00000
     81      -7.4478      1.00000
     82      -7.3339      1.00000
     83      -7.3225      1.00000
     84      -7.2646      1.00000
     85      -7.1603      1.00000
     86      -7.0145      1.00000
     87      -6.9850      1.00000
     88      -6.7164      1.00000
     89      -6.6887      1.00000
     90      -6.6302      1.00000
     91      -6.5891      1.00000
     92      -6.1175      1.00000
     93      -6.0585      1.00000
     94      -6.0434      1.00000
     95      -6.0281      1.00000
     96      -5.7468      1.00000
     97      -4.9751      1.00000
     98      -4.8394      1.00000
     99      -4.7084      1.00000
    100      -4.6728      1.00000
    101      -4.4840      1.00000
    102      -4.3534      1.00000
    103      -4.1118      1.00000
    104      -4.0558      1.00000
    105      -3.7553      1.00000
    106      -3.4667      1.00000
    107      -1.9519      0.00000
    108      -1.7717      0.00000
    109      -1.4804      0.00000
    110      -1.3562      0.00000
    111      -1.3364      0.00000
    112      -1.2933      0.00000
    113      -0.6791      0.00000
    114      -0.4723      0.00000
    115      -0.2366      0.00000
    116       0.0527      0.00000
    117       0.5828      0.00000
    118       0.6908      0.00000
    119       0.7690      0.00000
    120       1.0214      0.00000
    121       1.0949      0.00000
    122       1.1743      0.00000
    123       1.2493      0.00000
    124       1.3298      0.00000
    125       1.4247      0.00000
    126       1.5846      0.00000
    127       1.7550      0.00000
    128       1.8383      0.00000
    129       1.8571      0.00000
    130       1.8836      0.00000
    131       2.0430      0.00000
    132       2.2086      0.00000
    133       2.2198      0.00000
    134       2.2694      0.00000
    135       2.4689      0.00000
    136       2.5983      0.00000
    137       2.6333      0.00000
    138       2.7346      0.00000
    139       2.7695      0.00000
    140       2.8325      0.00000
    141       2.8400      0.00000
    142       2.8625      0.00000
    143       2.9398      0.00000
    144       3.0629      0.00000
    145       3.2953      0.00000
    146       3.3459      0.00000
    147       3.3915      0.00000
    148       3.4070      0.00000
    149       3.4102      0.00000
    150       3.5690      0.00000
    151       3.6349      0.00000
    152       3.6529      0.00000
    153       3.7151      0.00000
    154       3.8826      0.00000
    155       3.9054      0.00000
    156       3.9411      0.00000
    157       4.0948      0.00000
    158       4.1877      0.00000
    159       4.2255      0.00000
    160       4.2687      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2065      1.00000
      2     -22.1155      1.00000
      3     -21.9533      1.00000
      4     -21.4014      1.00000
      5     -21.0430      1.00000
      6     -21.0145      1.00000
      7     -20.4932      1.00000
      8     -20.4630      1.00000
      9     -20.2832      1.00000
     10     -20.2812      1.00000
     11     -19.9538      1.00000
     12     -19.8906      1.00000
     13     -18.8809      1.00000
     14     -18.8131      1.00000
     15     -18.3353      1.00000
     16     -18.3162      1.00000
     17     -18.1467      1.00000
     18     -18.1392      1.00000
     19     -17.8135      1.00000
     20     -17.7954      1.00000
     21     -17.2564      1.00000
     22     -17.2367      1.00000
     23     -17.1587      1.00000
     24     -17.1334      1.00000
     25     -16.1134      1.00000
     26     -15.8779      1.00000
     27     -15.8667      1.00000
     28     -15.8390      1.00000
     29     -15.2296      1.00000
     30     -14.5490      1.00000
     31     -14.5305      1.00000
     32     -14.2745      1.00000
     33     -13.9733      1.00000
     34     -13.9495      1.00000
     35     -13.8235      1.00000
     36     -13.8012      1.00000
     37     -13.6025      1.00000
     38     -13.5770      1.00000
     39     -13.3668      1.00000
     40     -12.6359      1.00000
     41     -12.1676      1.00000
     42     -12.1411      1.00000
     43     -12.0656      1.00000
     44     -12.0186      1.00000
     45     -11.6638      1.00000
     46     -11.6589      1.00000
     47     -11.1357      1.00000
     48     -11.1246      1.00000
     49     -10.7886      1.00000
     50     -10.7323      1.00000
     51     -10.5344      1.00000
     52     -10.2067      1.00000
     53     -10.2005      1.00000
     54     -10.1676      1.00000
     55     -10.0210      1.00000
     56      -9.9916      1.00000
     57      -9.9885      1.00000
     58      -9.8036      1.00000
     59      -9.7944      1.00000
     60      -9.7639      1.00000
     61      -9.7561      1.00000
     62      -9.4529      1.00000
     63      -9.4154      1.00000
     64      -9.0834      1.00000
     65      -9.0445      1.00000
     66      -9.0236      1.00000
     67      -8.9693      1.00000
     68      -8.8958      1.00000
     69      -8.7070      1.00000
     70      -8.6977      1.00000
     71      -8.5590      1.00000
     72      -8.5480      1.00000
     73      -8.4764      1.00000
     74      -8.4584      1.00000
     75      -8.4553      1.00000
     76      -8.3071      1.00000
     77      -8.0934      1.00000
     78      -8.0871      1.00000
     79      -7.9255      1.00000
     80      -7.8301      1.00000
     81      -7.5992      1.00000
     82      -7.5368      1.00000
     83      -7.4410      1.00000
     84      -7.3158      1.00000
     85      -6.9936      1.00000
     86      -6.9189      1.00000
     87      -6.8817      1.00000
     88      -6.5276      1.00000
     89      -6.5138      1.00000
     90      -6.4801      1.00000
     91      -6.4191      1.00000
     92      -5.9260      1.00000
     93      -5.9042      1.00000
     94      -5.7877      1.00000
     95      -5.7739      1.00000
     96      -5.3688      1.00000
     97      -5.3625      1.00000
     98      -5.2195      1.00000
     99      -5.2146      1.00000
    100      -5.1980      1.00000
    101      -4.7204      1.00000
    102      -4.4429      1.00000
    103      -4.1919      1.00000
    104      -3.8214      1.00000
    105      -3.5671      1.00000
    106      -3.2213      1.00000
    107      -2.5630      0.00000
    108      -1.4648      0.00000
    109      -1.2674      0.00000
    110      -1.1859      0.00000
    111      -1.1843      0.00000
    112      -0.6458      0.00000
    113      -0.5524      0.00000
    114      -0.4158      0.00000
    115      -0.3486      0.00000
    116      -0.0782      0.00000
    117      -0.0645      0.00000
    118       0.1266      0.00000
    119       0.5915      0.00000
    120       0.6254      0.00000
    121       0.8514      0.00000
    122       0.9801      0.00000
    123       1.0010      0.00000
    124       1.4907      0.00000
    125       1.6759      0.00000
    126       1.7447      0.00000
    127       1.8455      0.00000
    128       2.0965      0.00000
    129       2.1360      0.00000
    130       2.1839      0.00000
    131       2.2073      0.00000
    132       2.2529      0.00000
    133       2.3443      0.00000
    134       2.4880      0.00000
    135       2.5122      0.00000
    136       2.6510      0.00000
    137       2.8495      0.00000
    138       2.8548      0.00000
    139       2.9432      0.00000
    140       2.9720      0.00000
    141       3.0134      0.00000
    142       3.1273      0.00000
    143       3.1842      0.00000
    144       3.2233      0.00000
    145       3.2358      0.00000
    146       3.2725      0.00000
    147       3.2968      0.00000
    148       3.3474      0.00000
    149       3.4026      0.00000
    150       3.5337      0.00000
    151       3.5536      0.00000
    152       3.6356      0.00000
    153       3.6473      0.00000
    154       3.6926      0.00000
    155       3.7140      0.00000
    156       3.8900      0.00000
    157       3.9372      0.00000
    158       4.0182      0.00000
    159       4.0573      0.00000
    160       4.1643      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2799      1.00000
      2     -22.0752      1.00000
      3     -21.7170      1.00000
      4     -21.6778      1.00000
      5     -20.9797      1.00000
      6     -20.9319      1.00000
      7     -20.6084      1.00000
      8     -20.5761      1.00000
      9     -20.5626      1.00000
     10     -20.0293      1.00000
     11     -19.5107      1.00000
     12     -19.4806      1.00000
     13     -19.3086      1.00000
     14     -19.2957      1.00000
     15     -18.4472      1.00000
     16     -18.4040      1.00000
     17     -17.9253      1.00000
     18     -17.9050      1.00000
     19     -17.7638      1.00000
     20     -17.7188      1.00000
     21     -17.4396      1.00000
     22     -17.4211      1.00000
     23     -17.3364      1.00000
     24     -16.4693      1.00000
     25     -16.4588      1.00000
     26     -15.9676      1.00000
     27     -15.4086      1.00000
     28     -15.4077      1.00000
     29     -15.0938      1.00000
     30     -15.0906      1.00000
     31     -14.8516      1.00000
     32     -14.8395      1.00000
     33     -14.2961      1.00000
     34     -14.2524      1.00000
     35     -13.4429      1.00000
     36     -13.3990      1.00000
     37     -13.1735      1.00000
     38     -13.1722      1.00000
     39     -12.9825      1.00000
     40     -12.9736      1.00000
     41     -12.6092      1.00000
     42     -12.6073      1.00000
     43     -12.1954      1.00000
     44     -11.5775      1.00000
     45     -11.5362      1.00000
     46     -11.3113      1.00000
     47     -11.2809      1.00000
     48     -11.1409      1.00000
     49     -10.6918      1.00000
     50     -10.6623      1.00000
     51     -10.5456      1.00000
     52     -10.3205      1.00000
     53     -10.3128      1.00000
     54     -10.1731      1.00000
     55     -10.1206      1.00000
     56     -10.1070      1.00000
     57      -9.8094      1.00000
     58      -9.7507      1.00000
     59      -9.7505      1.00000
     60      -9.7005      1.00000
     61      -9.6966      1.00000
     62      -9.6442      1.00000
     63      -9.3512      1.00000
     64      -9.3496      1.00000
     65      -9.3165      1.00000
     66      -9.0263      1.00000
     67      -8.9602      1.00000
     68      -8.9562      1.00000
     69      -8.7731      1.00000
     70      -8.5905      1.00000
     71      -8.5869      1.00000
     72      -8.4218      1.00000
     73      -8.3475      1.00000
     74      -8.3218      1.00000
     75      -8.3010      1.00000
     76      -8.2650      1.00000
     77      -8.2537      1.00000
     78      -8.2383      1.00000
     79      -7.9196      1.00000
     80      -7.7327      1.00000
     81      -7.3787      1.00000
     82      -7.3493      1.00000
     83      -7.3248      1.00000
     84      -7.2169      1.00000
     85      -7.1588      1.00000
     86      -7.0631      1.00000
     87      -6.9593      1.00000
     88      -6.9032      1.00000
     89      -6.6132      1.00000
     90      -6.5564      1.00000
     91      -6.2710      1.00000
     92      -5.9954      1.00000
     93      -5.9583      1.00000
     94      -5.6743      1.00000
     95      -5.6479      1.00000
     96      -5.3867      1.00000
     97      -5.3142      1.00000
     98      -5.2932      1.00000
     99      -5.2111      1.00000
    100      -5.1996      1.00000
    101      -4.5123      1.00000
    102      -4.3402      1.00000
    103      -3.9968      1.00000
    104      -3.8861      1.00000
    105      -3.7934      1.00000
    106      -3.4444      1.00000
    107      -2.0357      0.00000
    108      -1.8639      0.00000
    109      -1.2188      0.00000
    110      -1.1844      0.00000
    111      -1.0366      0.00000
    112      -0.7732      0.00000
    113      -0.6780      0.00000
    114      -0.6609      0.00000
    115      -0.6108      0.00000
    116      -0.1008      0.00000
    117       0.2209      0.00000
    118       0.2399      0.00000
    119       0.7647      0.00000
    120       0.9796      0.00000
    121       1.0726      0.00000
    122       1.2388      0.00000
    123       1.2493      0.00000
    124       1.3377      0.00000
    125       1.5714      0.00000
    126       1.5826      0.00000
    127       1.6870      0.00000
    128       1.7887      0.00000
    129       1.9366      0.00000
    130       1.9416      0.00000
    131       2.0792      0.00000
    132       2.2894      0.00000
    133       2.3366      0.00000
    134       2.4067      0.00000
    135       2.5278      0.00000
    136       2.6187      0.00000
    137       2.7578      0.00000
    138       2.8160      0.00000
    139       2.8345      0.00000
    140       2.8516      0.00000
    141       3.0237      0.00000
    142       3.0903      0.00000
    143       3.1377      0.00000
    144       3.2028      0.00000
    145       3.3636      0.00000
    146       3.4030      0.00000
    147       3.4841      0.00000
    148       3.5188      0.00000
    149       3.5835      0.00000
    150       3.5946      0.00000
    151       3.6265      0.00000
    152       3.7255      0.00000
    153       3.7312      0.00000
    154       3.7613      0.00000
    155       3.8063      0.00000
    156       3.8635      0.00000
    157       4.0071      0.00000
    158       4.0736      0.00000
    159       4.1525      0.00000
    160       4.1906      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0442   -7.3899    4.1988   -1.2764   -0.2389   17.5987    0.1474   -0.5324    0.6339   -0.4650
x    -3.0911   -0.0374   -0.0632    0.0617   -0.0091   -2.9779   -0.0111   -0.0070    0.0049    0.0016
x    -0.0966    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0442    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0941   -0.0088    0.0375    0.0376
y    -0.0459   -3.2464   -0.5382   -0.1635   -1.1811   -0.6055
z   204.0442    1.1262   -0.2800    0.0410    0.0091    0.0617    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0775    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1328
z    -0.2842    0.1863   -0.0386    0.0473   -0.1051    0.0013
 total charge-density along one line
x   212.0000  -10.2199    6.1468   -2.0863   -0.4746   19.5162   -0.9960    0.4745   -0.0450   -0.1261
x    -2.6443   -0.0277   -0.0611    0.0846   -0.0532   -2.2248   -0.0251   -0.0026    0.0052    0.0021
x    -0.0897    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2199    6.1468   -2.0863   -0.4746   19.5162   -0.9960    0.4745   -0.0450   -0.1261
y    -2.6443   -0.0277   -0.0611    0.0846   -0.0532   -2.2248   -0.0251   -0.0026    0.0052    0.0021
y    -0.0897    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4938  189.2936 -170.3617  153.6277 -139.3952  125.3780 -110.0593   93.9134  -78.3035
z    64.1003  -51.4548   40.3949  -31.1914   24.0944  -18.9118   15.0018  -11.6953    8.6978   -6.1080
z     4.1202   -2.7497    1.8139   -1.1053    0.5356   -0.1236   -0.1142    0.2301   -0.3106    0.4004
z    -0.4767    0.4935   -0.4406    0.3555   -0.2863    0.2510   -0.2330    0.2084   -0.1708    0.1316
z    -0.1036    0.0878   -0.0767    0.0636   -0.0491    0.0374   -0.0308    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.103   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.157   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.836  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.103   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.157   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.836  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.016   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.312   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.303   0.000   0.029  -0.191  -0.031   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.312   0.000   0.630   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.009   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.312   0.000   0.000   0.158   0.000  -0.192   0.000   0.000   0.000   0.010   0.000  -0.051  -0.005
 -0.069   0.000   0.303   0.000   0.037  -0.131   0.000   0.415   0.000   0.077   0.585  -0.239   0.000   0.057   0.000   0.000
  0.000  -0.312   0.000   0.630   0.000   0.000  -0.192   0.000   0.379   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.041   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.369  -0.420   0.000   0.283   0.000   0.000
 -0.016   0.000  -0.031   0.000   0.009   0.082   0.000  -0.239   0.000  -0.047  -0.420   0.176   0.000  -0.033   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.010   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.057   0.000   0.053   0.283  -0.033   0.000   0.264   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.645   0.262   8.029   8.936
  2        0.521   0.027   0.000   0.549
  3        0.521   0.027   0.000   0.549
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.647
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.864   1.783   0.000   2.646
 12        0.863   1.784   0.000   2.648
 13        0.864   1.782   0.000   2.646
 14        0.864   1.783   0.000   2.647
 15        0.864   1.784   0.000   2.647
 16        0.864   1.774   0.000   2.637
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.648
 19        0.864   1.782   0.000   2.646
 20        0.864   1.783   0.000   2.646
 21        0.864   1.781   0.000   2.645
 22        0.864   1.770   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.782   0.000   2.646
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.782   0.000   2.646
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.781   0.000   2.645
 33        0.864   1.781   0.000   2.645
 34        0.864   1.782   0.000   2.646
 35        0.864   1.781   0.000   2.645
 36        0.864   1.770   0.000   2.634
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.646
 39        0.864   1.783   0.000   2.647
 40        0.863   1.785   0.000   2.648
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.637
 43        0.864   1.784   0.000   2.647
 44        0.864   1.783   0.000   2.647
 45        0.864   1.782   0.000   2.646
 46        0.863   1.784   0.000   2.648
 47        0.864   1.783   0.000   2.646
 48        0.864   1.784   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.647
------------------------------------------------
tot       44.863  89.406   8.029 142.298
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time   91.31: CPU time   46.04
    FORLOC:  VPU time    1.09: CPU time    1.09
    FORNL :  VPU time  364.44: CPU time  182.47
    STRESS:  VPU time 1090.55: CPU time  547.74
    FORCOR:  VPU time    7.40: CPU time    7.41
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.13: CPU time    0.14
 d Force =-0.1239927E-04[-0.137E-04,-0.111E-04]  d Energy =-0.2776581E-04 0.154E-04
 d Force =-0.1558503E+00[-0.156E+00,-0.156E+00]  d Ewald  = 0.4280669E+01-0.444E+01


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726299 eV

  energy  without entropy=     -471.726299  energy(sigma->0) =     -471.726299
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40816.59  40771.05 -47514.01    -39.44      0.00      0.00
  Hartree  40241.70  40222.60 -39500.27    -16.54      0.00      0.00
  E(xc)     -779.38   -779.68   -807.32     -0.25      0.00      0.00
  Local   -83342.45 -83286.87  84329.16     48.13      0.00      0.00
  n-local   -216.70   -215.58   -203.28      0.70      0.00      0.00
  augment     20.07     22.06     17.82      1.72      0.00      0.00
  Kinetic   3161.91   3175.59   3583.63      3.50      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.60     -0.62     -0.33     -0.02      0.00      0.00
  in kB       -0.36     -0.37     -0.20     -0.01      0.00      0.00
  external pressure =       -0.31 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.347447305  0.000800107  0.000000000     0.080985371  0.046749996  0.000000000
    -6.173037383 10.693599170  0.000000000    -0.000006059  0.093510387  0.000000000
     0.000000000  0.000000000 19.978719045     0.000000000  0.000000000  0.050053259

  length of vectors
    12.347447331 12.347447255 19.978719045     0.093510386  0.093510387  0.050053259


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.482E-05 -.489E-04 -.951E+03   0.451E-05 -.279E-04 0.960E+03   -.847E-20 -.339E-20 -.867E+01   0.134E-06 -.781E-07 -.805E-02
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.155E+01 -.892E+00 -.253E+01   -.513E-03 0.295E-03 -.902E-03
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.155E+01 0.892E+00 -.253E+01   0.513E-03 -.295E-03 -.902E-03
   -.205E+01 0.119E+01 0.163E+02   0.205E+01 -.118E+01 -.163E+02   -.334E-02 0.193E-02 -.233E-01   0.186E-02 -.107E-02 0.112E-03
   0.616E+01 0.686E+01 0.194E+02   -.617E+01 -.689E+01 -.193E+02   0.834E-04 0.205E-01 -.276E-01   0.129E-02 -.598E-03 0.310E-04
   0.112E+02 0.509E+01 0.161E+02   -.112E+02 -.510E+01 -.161E+02   0.205E-01 0.820E-02 -.490E-01   0.140E-02 -.859E-03 0.803E-04
   0.472E+01 -.886E+00 0.125E+02   -.474E+01 0.897E+00 -.125E+02   0.145E-01 -.745E-02 -.193E-01   0.163E-02 -.859E-03 0.124E-03
   -.309E+01 -.253E+01 0.126E+02   0.308E+01 0.253E+01 -.126E+02   -.175E-02 0.284E-02 -.126E-01   0.184E-02 -.114E-02 0.140E-03
   0.646E+00 0.394E+01 0.126E+02   -.650E+00 -.394E+01 -.126E+02   -.334E-02 0.988E-04 -.126E-01   0.190E-02 -.104E-02 0.137E-03
   0.241E+01 0.189E+02 0.240E+02   -.241E+01 -.190E+02 -.240E+02   -.258E-02 0.105E+00 -.474E-01   0.160E-02 -.147E-02 0.437E-04
   0.227E+02 0.214E+02 0.422E+02   -.228E+02 -.216E+02 -.422E+02   0.764E-01 0.264E+00 -.608E-01   0.202E-02 -.705E-03 -.736E-04
   0.268E+02 -.344E+01 0.257E+02   -.271E+02 0.355E+01 -.256E+02   0.269E+00 -.108E+00 -.333E-01   0.142E-02 -.515E-03 0.639E-03
   0.914E+01 -.528E+01 0.136E+02   -.919E+01 0.530E+01 -.136E+02   0.409E-01 -.236E-01 -.122E-01   0.160E-02 -.933E-03 0.322E-03
   0.313E+01 -.365E+01 0.125E+02   -.315E+01 0.366E+01 -.125E+02   0.137E-01 -.884E-02 -.193E-01   0.156E-02 -.988E-03 0.117E-03
   -.592E+01 0.136E+02 0.162E+02   0.592E+01 -.137E+02 -.161E+02   -.258E-02 0.723E-01 -.506E-01   0.193E-02 -.710E-03 0.235E-03
   -.119E+02 0.363E+02 0.478E+02   0.119E+02 -.369E+02 -.481E+02   -.309E-01 0.614E+00 0.295E+00   0.207E-02 -.528E-03 0.492E-03
   0.237E+02 -.137E+02 0.942E+02   -.244E+02 0.141E+02 -.962E+02   0.640E+00 -.369E+00 0.206E+01   0.976E-03 -.566E-03 0.695E-03
   0.164E+02 -.215E+02 0.257E+02   -.166E+02 0.217E+02 -.256E+02   0.228E+00 -.179E+00 -.333E-01   0.115E-02 -.977E-03 0.635E-03
   0.119E+01 -.122E+02 0.161E+02   -.119E+01 0.123E+02 -.161E+02   0.313E-02 -.218E-01 -.490E-01   0.145E-02 -.784E-03 0.754E-04
   -.415E+01 0.192E+01 0.116E+02   0.414E+01 -.193E+01 -.116E+02   -.554E-03 0.957E-02 -.435E-01   0.155E-02 -.794E-03 0.179E-03
   -.193E+02 0.111E+02 0.218E+02   0.193E+02 -.112E+02 -.218E+02   -.503E-01 0.291E-01 -.417E-01   0.151E-02 -.867E-03 0.693E-03
   -.374E+02 -.787E+01 0.478E+02   0.379E+02 0.816E+01 -.481E+02   -.547E+00 -.280E+00 0.295E+00   0.150E-02 -.153E-02 0.494E-03
   -.718E+01 -.303E+02 0.422E+02   0.736E+01 0.306E+02 -.422E+02   -.190E+00 -.198E+00 -.608E-01   0.162E-02 -.140E-02 -.753E-04
   -.286E+01 -.877E+01 0.194E+02   0.288E+01 0.878E+01 -.193E+02   -.177E-01 -.103E-01 -.276E-01   0.116E-02 -.821E-03 0.303E-04
   0.139E+01 -.802E+00 0.134E+02   -.140E+01 0.806E+00 -.134E+02   -.698E-03 0.403E-03 -.180E-01   0.154E-02 -.889E-03 0.995E-04
   -.374E+01 0.263E+01 0.116E+02   0.374E+01 -.262E+01 -.116E+02   -.856E-02 -.430E-02 -.435E-01   0.146E-02 -.937E-03 0.183E-03
   -.148E+02 -.169E+01 0.162E+02   0.148E+02 0.173E+01 -.161E+02   -.639E-01 -.339E-01 -.506E-01   0.158E-02 -.132E-02 0.241E-03
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.922E-01 -.502E-01 -.474E-01   0.208E-02 -.658E-03 0.463E-04
   0.286E+01 0.877E+01 0.194E+02   -.288E+01 -.878E+01 -.193E+02   0.177E-01 0.103E-01 -.276E-01   -.116E-02 0.821E-03 0.303E-04
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.922E-01 0.502E-01 -.474E-01   -.208E-02 0.658E-03 0.463E-04
   0.148E+02 0.169E+01 0.162E+02   -.148E+02 -.173E+01 -.161E+02   0.639E-01 0.339E-01 -.506E-01   -.158E-02 0.132E-02 0.241E-03
   0.374E+01 -.263E+01 0.116E+02   -.374E+01 0.262E+01 -.116E+02   0.856E-02 0.430E-02 -.435E-01   -.146E-02 0.937E-03 0.183E-03
   -.139E+01 0.802E+00 0.134E+02   0.140E+01 -.805E+00 -.134E+02   0.698E-03 -.403E-03 -.180E-01   -.154E-02 0.889E-03 0.995E-04
   -.119E+01 0.122E+02 0.161E+02   0.119E+01 -.123E+02 -.161E+02   -.313E-02 0.218E-01 -.490E-01   -.145E-02 0.784E-03 0.754E-04
   0.718E+01 0.303E+02 0.422E+02   -.736E+01 -.306E+02 -.422E+02   0.190E+00 0.198E+00 -.608E-01   -.162E-02 0.140E-02 -.753E-04
   0.374E+02 0.787E+01 0.478E+02   -.379E+02 -.816E+01 -.481E+02   0.547E+00 0.280E+00 0.295E+00   -.150E-02 0.153E-02 0.494E-03
   0.193E+02 -.111E+02 0.218E+02   -.193E+02 0.112E+02 -.218E+02   0.503E-01 -.291E-01 -.417E-01   -.151E-02 0.867E-03 0.693E-03
   0.415E+01 -.192E+01 0.116E+02   -.414E+01 0.193E+01 -.116E+02   0.554E-03 -.957E-02 -.435E-01   -.155E-02 0.794E-03 0.179E-03
   -.313E+01 0.365E+01 0.125E+02   0.315E+01 -.366E+01 -.125E+02   -.137E-01 0.884E-02 -.193E-01   -.156E-02 0.988E-03 0.117E-03
   -.164E+02 0.215E+02 0.257E+02   0.166E+02 -.217E+02 -.256E+02   -.228E+00 0.179E+00 -.333E-01   -.115E-02 0.977E-03 0.635E-03
   -.237E+02 0.137E+02 0.942E+02   0.244E+02 -.141E+02 -.962E+02   -.640E+00 0.369E+00 0.206E+01   -.976E-03 0.566E-03 0.695E-03
   0.119E+02 -.363E+02 0.478E+02   -.119E+02 0.369E+02 -.481E+02   0.309E-01 -.614E+00 0.295E+00   -.207E-02 0.529E-03 0.492E-03
   0.592E+01 -.136E+02 0.162E+02   -.592E+01 0.137E+02 -.161E+02   0.258E-02 -.723E-01 -.506E-01   -.193E-02 0.710E-03 0.235E-03
   -.646E+00 -.394E+01 0.126E+02   0.650E+00 0.394E+01 -.126E+02   0.334E-02 -.988E-04 -.126E-01   -.190E-02 0.104E-02 0.137E-03
   -.914E+01 0.528E+01 0.136E+02   0.919E+01 -.530E+01 -.136E+02   -.409E-01 0.236E-01 -.122E-01   -.160E-02 0.933E-03 0.322E-03
   -.268E+02 0.344E+01 0.257E+02   0.271E+02 -.355E+01 -.256E+02   -.269E+00 0.108E+00 -.333E-01   -.142E-02 0.515E-03 0.640E-03
   -.227E+02 -.214E+02 0.422E+02   0.228E+02 0.216E+02 -.422E+02   -.764E-01 -.264E+00 -.608E-01   -.202E-02 0.705E-03 -.736E-04
   -.241E+01 -.189E+02 0.240E+02   0.241E+01 0.190E+02 -.240E+02   0.258E-02 -.105E+00 -.474E-01   -.161E-02 0.147E-02 0.437E-04
   0.205E+01 -.119E+01 0.163E+02   -.205E+01 0.118E+01 -.163E+02   0.334E-02 -.193E-02 -.233E-01   -.186E-02 0.107E-02 0.112E-03
   0.309E+01 0.253E+01 0.126E+02   -.308E+01 -.253E+01 -.126E+02   0.175E-02 -.284E-02 -.126E-01   -.184E-02 0.114E-02 0.140E-03
   -.472E+01 0.886E+00 0.125E+02   0.474E+01 -.897E+00 -.125E+02   -.145E-01 0.745E-02 -.193E-01   -.163E-02 0.859E-03 0.124E-03
   -.112E+02 -.509E+01 0.161E+02   0.112E+02 0.510E+01 -.161E+02   -.205E-01 -.820E-02 -.490E-01   -.140E-02 0.859E-03 0.803E-04
   -.616E+01 -.686E+01 0.194E+02   0.617E+01 0.689E+01 -.193E+02   -.834E-04 -.205E-01 -.276E-01   -.129E-02 0.598E-03 0.309E-04
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.290E-03 0.100E+02   0.382E-13 -.142E-13 0.426E-12   -.341E-15 0.146E-15 -.100E+02   0.125E-06 -.692E-07 0.154E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85251      6.06005     12.25860         0.000000      0.000000      0.021154
      1.07521      6.50883     13.51767        -0.000536      0.000310      0.015612
      2.62980      5.61128     13.51767         0.000536     -0.000310      0.015612
      0.00015     -0.00008      9.90695        -0.003507      0.002025      0.000640
     -1.23495      2.13727      9.90567        -0.001984     -0.001139     -0.000245
     -2.47042      4.27716      9.92571        -0.002921      0.002784     -0.000985
     -3.70427      6.41625      9.93354        -0.003152      0.002114     -0.002371
     -4.93816      8.55485      9.92393        -0.004565      0.002990     -0.000133
      2.46965     -0.00006      9.92393        -0.004872      0.002458     -0.000133
      1.23416      2.13698      9.91525        -0.002484      0.004883     -0.000447
     -0.00262      4.27147      9.92793        -0.006839      0.004246     -0.002505
     -1.23850      6.41684      9.94985        -0.001308      0.002297     -0.000758
     -2.46922      8.55520      9.93516        -0.003218      0.001858      0.000431
      4.93868      0.00067      9.93354        -0.003407      0.001672     -0.002371
      3.70482      2.13712      9.93668        -0.004052      0.001168     -0.000187
      2.47030      4.26924      9.96460        -0.002879      0.002058     -0.004066
      1.22931      6.41985      9.97079        -0.002494      0.001440     -0.004738
     -0.00199      8.55855      9.94985        -0.002644     -0.000016     -0.000758
      7.40810      0.00167      9.92571        -0.003871      0.001137     -0.000985
      6.17357      2.13929      9.93200        -0.003538      0.001875     -0.000324
      4.93981      4.27760      9.94459        -0.000689      0.000398      0.001286
      3.71229      6.42044      9.96460        -0.003222      0.001464     -0.004066
      2.47390      8.56093      9.92793        -0.007097      0.003799     -0.002505
      9.87904      0.00166      9.90567        -0.000005      0.002288     -0.000245
      8.64324      2.13942      9.91682        -0.004699      0.002713      0.000234
      7.40852      4.27828      9.93200        -0.003392      0.002126     -0.000324
      6.17603      6.41737      9.93668        -0.003038      0.002925     -0.000187
      4.94081      8.55710      9.91525        -0.005471     -0.000290     -0.000447
     -0.00099      1.42485      9.90567         0.000005     -0.002288     -0.000245
     -1.23580      3.56301      9.91525         0.005471      0.000290     -0.000447
     -2.47102      5.70274      9.93668         0.003038     -0.002925     -0.000187
     -3.70351      7.84182      9.93200         0.003392     -0.002126     -0.000324
     -4.93823      9.98068      9.91682         0.004699     -0.002713      0.000234
      2.46995      1.42484      9.92571         0.003871     -0.001137     -0.000985
      1.23112      3.55918      9.92793         0.007097     -0.003799     -0.002505
     -0.00728      5.69967      9.96460         0.003222     -0.001464     -0.004066
     -1.23480      7.84251      9.94459         0.000689     -0.000398      0.001286
     -2.46856      9.98082      9.93200         0.003538     -0.001875     -0.000324
      4.93937      1.42584      9.93354         0.003407     -0.001672     -0.002371
      3.70700      3.56156      9.94985         0.002644      0.000016     -0.000758
      2.47570      5.70025      9.97079         0.002494     -0.001440     -0.004738
      1.23472      7.85087      9.96460         0.002879     -0.002058     -0.004066
      0.00019      9.98299      9.93668         0.004052     -0.001168     -0.000187
      7.40840      1.42656      9.92393         0.004872     -0.002458     -0.000133
      6.17423      3.56490      9.93516         0.003218     -0.001858      0.000431
      4.94351      5.70327      9.94985         0.001308     -0.002297     -0.000758
      3.70763      7.84863      9.92793         0.006839     -0.004246     -0.002505
      2.47086      9.98312      9.91525         0.002484     -0.004883     -0.000447
      9.87790      1.42659      9.90695         0.003507     -0.002025      0.000640
      8.64318      3.56526      9.92393         0.004565     -0.002990     -0.000133
      7.40928      5.70386      9.93354         0.003152     -0.002114     -0.002371
      6.17544      7.84294      9.92571         0.002921     -0.002784     -0.000985
      4.93996      9.98283      9.90567         0.001984      0.001139     -0.000245
 -----------------------------------------------------------------------------------
    total drift:                               -0.001802      0.000290      0.015893


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.67: CPU time    1.68
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.19: CPU time    1.18
    ORTHCH:  VPU time  151.91: CPU time   76.04
     LOOP+:  VPU time 4360.85: CPU time 2225.61


----------------------------------------- Iteration    9(   1)  ---------------------------------------


    POTLOK:  VPU time    7.90: CPU time    7.73
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1136.81: CPU time  580.62
 BZINTS: Fermi energy: -3.185960;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time   -0.01: CPU time    0.00
    CHARGE:  VPU time   91.24: CPU time   45.98
    MIXING:  VPU time    0.13: CPU time    0.13
    ------------------------------------------
      LOOP:  VPU time 1236.42: CPU time  634.77

 eigenvalue-minimisations  :  4224
 total energy-change (2. order) :-0.4717263E+03  (-0.1340681E-04)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9559843 magnetization   -0.0000001

 Broyden mixing:
  rms(total) = 0.50116E-03    rms(broyden)= 0.50106E-03
  rms(prec ) = 0.54307E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34075.15291341
  -1/2 Hartree   DENC   =    -40965.66892465
  -V(xc)+E(xc)   XCENC  =       726.52309556
  PAW double counting   =      4092.40012009    -4130.74360243
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.82976688
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72631130 eV

  energy without entropy =     -471.72631130  energy(sigma->0) =     -471.72631130


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(   2)  ---------------------------------------


    POTLOK:  VPU time    7.73: CPU time    7.73
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1173.69: CPU time  599.91
 BZINTS: Fermi energy: -3.185587;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1181.77: CPU time  607.96

 eigenvalue-minimisations  :  4432
 total energy-change (2. order) :-0.1874807E-05  (-0.9049745E-06)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9559843 magnetization   -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34075.15291341
  -1/2 Hartree   DENC   =    -40965.69057805
  -V(xc)+E(xc)   XCENC  =       726.52425028
  PAW double counting   =      4092.45735552    -4130.80131573
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.80879221
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72631317 eV

  energy without entropy =     -471.72631317  energy(sigma->0) =     -471.72631317


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2202       2 -39.5361       3 -39.5361       4 -58.3161       5 -58.3201
       6 -58.3225       7 -58.3171       8 -58.3174       9 -58.3174      10 -58.3239
      11 -58.3901      12 -58.3540      13 -58.3254      14 -58.3171      15 -58.3269
      16 -58.5454      17 -58.7324      18 -58.3540      19 -58.3225      20 -58.3223
      21 -58.3602      22 -58.5455      23 -58.3901      24 -58.3201      25 -58.3252
      26 -58.3223      27 -58.3270      28 -58.3239      29 -58.3199      30 -58.3238
      31 -58.3268      32 -58.3222      33 -58.3251      34 -58.3224      35 -58.3900
      36 -58.5454      37 -58.3601      38 -58.3222      39 -58.3170      40 -58.3539
      41 -58.7323      42 -58.5454      43 -58.3268      44 -58.3173      45 -58.3253
      46 -58.3539      47 -58.3901      48 -58.3238      49 -58.3160      50 -58.3173
      51 -58.3170      52 -58.3224      53 -58.3200
 
 
 
 E-fermi :  -3.1856     XC(G=0):  -2.3548     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4246      1.00000
      2     -21.6019      1.00000
      3     -21.4797      1.00000
      4     -21.4708      1.00000
      5     -21.4391      1.00000
      6     -21.4384      1.00000
      7     -21.4281      1.00000
      8     -19.7065      1.00000
      9     -19.6514      1.00000
     10     -19.6284      1.00000
     11     -19.6169      1.00000
     12     -19.6117      1.00000
     13     -19.6108      1.00000
     14     -18.7890      1.00000
     15     -18.7535      1.00000
     16     -18.7341      1.00000
     17     -18.7246      1.00000
     18     -18.7170      1.00000
     19     -18.7117      1.00000
     20     -16.6355      1.00000
     21     -16.6087      1.00000
     22     -16.5845      1.00000
     23     -16.5815      1.00000
     24     -16.5540      1.00000
     25     -16.5526      1.00000
     26     -15.6139      1.00000
     27     -15.6010      1.00000
     28     -15.5978      1.00000
     29     -15.5638      1.00000
     30     -15.5618      1.00000
     31     -15.5611      1.00000
     32     -14.2594      1.00000
     33     -14.2504      1.00000
     34     -14.2404      1.00000
     35     -14.2353      1.00000
     36     -14.2221      1.00000
     37     -14.2188      1.00000
     38     -11.9063      1.00000
     39     -11.8795      1.00000
     40     -11.8680      1.00000
     41     -11.8666      1.00000
     42     -11.8453      1.00000
     43     -11.8453      1.00000
     44     -11.7705      1.00000
     45     -11.7683      1.00000
     46     -11.7349      1.00000
     47     -11.7284      1.00000
     48     -11.7248      1.00000
     49     -11.7214      1.00000
     50     -10.6752      1.00000
     51     -10.3884      1.00000
     52     -10.3834      1.00000
     53     -10.3764      1.00000
     54     -10.3684      1.00000
     55     -10.3551      1.00000
     56     -10.3531      1.00000
     57      -9.9037      1.00000
     58      -9.4493      1.00000
     59      -9.4041      1.00000
     60      -9.3610      1.00000
     61      -9.3603      1.00000
     62      -9.3525      1.00000
     63      -9.1424      1.00000
     64      -9.1229      1.00000
     65      -9.1213      1.00000
     66      -9.0854      1.00000
     67      -9.0719      1.00000
     68      -9.0715      1.00000
     69      -9.0708      1.00000
     70      -9.0652      1.00000
     71      -9.0644      1.00000
     72      -9.0397      1.00000
     73      -9.0295      1.00000
     74      -9.0263      1.00000
     75      -8.1295      1.00000
     76      -7.7484      1.00000
     77      -7.4699      1.00000
     78      -7.4669      1.00000
     79      -7.4550      1.00000
     80      -7.4350      1.00000
     81      -7.4249      1.00000
     82      -7.4075      1.00000
     83      -7.3124      1.00000
     84      -7.2702      1.00000
     85      -7.2565      1.00000
     86      -7.2481      1.00000
     87      -7.1488      1.00000
     88      -7.0494      1.00000
     89      -6.4456      1.00000
     90      -6.4160      1.00000
     91      -6.4003      1.00000
     92      -6.3630      1.00000
     93      -6.3523      1.00000
     94      -6.3401      1.00000
     95      -5.9603      1.00000
     96      -5.9594      1.00000
     97      -4.8084      1.00000
     98      -4.5458      1.00000
     99      -4.4820      1.00000
    100      -4.4755      1.00000
    101      -4.3826      1.00000
    102      -4.3822      1.00000
    103      -4.2687      1.00000
    104      -4.1883      1.00000
    105      -3.7402      1.00000
    106      -3.4789      1.00000
    107      -1.8642      0.00000
    108      -1.6717      0.00000
    109      -1.6258      0.00000
    110      -1.5930      0.00000
    111      -1.5773      0.00000
    112      -1.5765      0.00000
    113      -0.4293      0.00000
    114       0.1445      0.00000
    115       0.1896      0.00000
    116       0.2533      0.00000
    117       0.2655      0.00000
    118       0.2689      0.00000
    119       0.4775      0.00000
    120       0.5467      0.00000
    121       1.2466      0.00000
    122       1.2910      0.00000
    123       1.5289      0.00000
    124       1.7696      0.00000
    125       1.7723      0.00000
    126       1.7726      0.00000
    127       1.7937      0.00000
    128       1.8264      0.00000
    129       1.9552      0.00000
    130       1.9653      0.00000
    131       1.9708      0.00000
    132       1.9855      0.00000
    133       1.9930      0.00000
    134       2.0762      0.00000
    135       2.2454      0.00000
    136       2.3421      0.00000
    137       2.6004      0.00000
    138       2.6006      0.00000
    139       2.6267      0.00000
    140       2.6877      0.00000
    141       2.9311      0.00000
    142       3.0382      0.00000
    143       3.0553      0.00000
    144       3.0852      0.00000
    145       3.0854      0.00000
    146       3.0886      0.00000
    147       3.0976      0.00000
    148       3.2646      0.00000
    149       3.4426      0.00000
    150       3.4951      0.00000
    151       3.8119      0.00000
    152       3.9241      0.00000
    153       3.9253      0.00000
    154       3.9265      0.00000
    155       3.9462      0.00000
    156       3.9891      0.00000
    157       4.1826      0.00000
    158       4.2605      0.00000
    159       4.2732      0.00000
    160       4.2824      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3879      1.00000
      2     -21.8290      1.00000
      3     -21.6366      1.00000
      4     -21.6087      1.00000
      5     -21.2732      1.00000
      6     -21.2337      1.00000
      7     -21.0554      1.00000
      8     -20.1665      1.00000
      9     -20.1282      1.00000
     10     -19.6074      1.00000
     11     -19.5964      1.00000
     12     -19.4162      1.00000
     13     -19.0888      1.00000
     14     -19.0587      1.00000
     15     -19.0479      1.00000
     16     -19.0404      1.00000
     17     -18.3598      1.00000
     18     -18.3514      1.00000
     19     -18.0186      1.00000
     20     -17.0692      1.00000
     21     -17.0302      1.00000
     22     -16.9441      1.00000
     23     -16.9393      1.00000
     24     -16.4679      1.00000
     25     -16.4626      1.00000
     26     -15.6133      1.00000
     27     -15.6064      1.00000
     28     -15.2523      1.00000
     29     -15.2434      1.00000
     30     -15.1843      1.00000
     31     -15.0975      1.00000
     32     -15.0706      1.00000
     33     -14.6979      1.00000
     34     -14.6961      1.00000
     35     -13.7263      1.00000
     36     -13.7238      1.00000
     37     -13.2360      1.00000
     38     -12.6148      1.00000
     39     -12.5845      1.00000
     40     -12.4536      1.00000
     41     -12.4498      1.00000
     42     -12.1099      1.00000
     43     -12.1052      1.00000
     44     -11.7166      1.00000
     45     -11.6856      1.00000
     46     -11.2358      1.00000
     47     -11.2266      1.00000
     48     -11.0177      1.00000
     49     -11.0097      1.00000
     50     -10.9262      1.00000
     51     -10.9046      1.00000
     52     -10.6302      1.00000
     53     -10.1554      1.00000
     54     -10.1505      1.00000
     55     -10.0926      1.00000
     56      -9.9980      1.00000
     57      -9.7026      1.00000
     58      -9.6953      1.00000
     59      -9.6549      1.00000
     60      -9.5916      1.00000
     61      -9.5772      1.00000
     62      -9.5585      1.00000
     63      -9.3077      1.00000
     64      -9.3034      1.00000
     65      -9.2732      1.00000
     66      -9.2363      1.00000
     67      -9.1355      1.00000
     68      -9.1161      1.00000
     69      -9.1111      1.00000
     70      -8.9385      1.00000
     71      -8.8720      1.00000
     72      -8.6055      1.00000
     73      -8.5918      1.00000
     74      -8.2362      1.00000
     75      -8.1021      1.00000
     76      -7.9134      1.00000
     77      -7.8642      1.00000
     78      -7.7727      1.00000
     79      -7.7577      1.00000
     80      -7.6914      1.00000
     81      -7.5617      1.00000
     82      -7.3400      1.00000
     83      -7.3238      1.00000
     84      -7.2034      1.00000
     85      -7.1231      1.00000
     86      -7.0315      1.00000
     87      -7.0130      1.00000
     88      -6.7041      1.00000
     89      -6.6773      1.00000
     90      -6.6407      1.00000
     91      -6.5972      1.00000
     92      -6.1177      1.00000
     93      -6.0627      1.00000
     94      -6.0320      1.00000
     95      -6.0110      1.00000
     96      -5.7836      1.00000
     97      -4.9759      1.00000
     98      -4.8326      1.00000
     99      -4.7476      1.00000
    100      -4.6800      1.00000
    101      -4.4702      1.00000
    102      -4.2048      1.00000
    103      -4.1727      1.00000
    104      -4.1288      1.00000
    105      -3.7304      1.00000
    106      -3.4892      1.00000
    107      -1.8724      0.00000
    108      -1.8102      0.00000
    109      -1.5264      0.00000
    110      -1.3790      0.00000
    111      -1.3230      0.00000
    112      -1.2898      0.00000
    113      -0.7217      0.00000
    114      -0.3775      0.00000
    115      -0.2515      0.00000
    116       0.0377      0.00000
    117       0.5552      0.00000
    118       0.6964      0.00000
    119       0.7441      0.00000
    120       1.0466      0.00000
    121       1.0972      0.00000
    122       1.1481      0.00000
    123       1.2253      0.00000
    124       1.3759      0.00000
    125       1.5214      0.00000
    126       1.5763      0.00000
    127       1.7124      0.00000
    128       1.8082      0.00000
    129       1.8536      0.00000
    130       1.8787      0.00000
    131       2.0946      0.00000
    132       2.1826      0.00000
    133       2.2385      0.00000
    134       2.2993      0.00000
    135       2.5052      0.00000
    136       2.5793      0.00000
    137       2.6267      0.00000
    138       2.7679      0.00000
    139       2.7847      0.00000
    140       2.8199      0.00000
    141       2.8504      0.00000
    142       2.8888      0.00000
    143       2.9390      0.00000
    144       3.0694      0.00000
    145       3.1451      0.00000
    146       3.3070      0.00000
    147       3.3727      0.00000
    148       3.4221      0.00000
    149       3.4525      0.00000
    150       3.5960      0.00000
    151       3.6379      0.00000
    152       3.6481      0.00000
    153       3.6982      0.00000
    154       3.8925      0.00000
    155       3.9525      0.00000
    156       4.0094      0.00000
    157       4.0631      0.00000
    158       4.2145      0.00000
    159       4.2355      0.00000
    160       4.2713      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2820      1.00000
      2     -22.0763      1.00000
      3     -21.7151      1.00000
      4     -21.6831      1.00000
      5     -20.9781      1.00000
      6     -20.9373      1.00000
      7     -20.6106      1.00000
      8     -20.5739      1.00000
      9     -20.5675      1.00000
     10     -20.0315      1.00000
     11     -19.5022      1.00000
     12     -19.4905      1.00000
     13     -19.3056      1.00000
     14     -19.3005      1.00000
     15     -18.4470      1.00000
     16     -18.4102      1.00000
     17     -17.9217      1.00000
     18     -17.9121      1.00000
     19     -17.7612      1.00000
     20     -17.7253      1.00000
     21     -17.4356      1.00000
     22     -17.4278      1.00000
     23     -17.3409      1.00000
     24     -16.4625      1.00000
     25     -16.4611      1.00000
     26     -15.9659      1.00000
     27     -15.4135      1.00000
     28     -15.4082      1.00000
     29     -15.0958      1.00000
     30     -15.0927      1.00000
     31     -14.8553      1.00000
     32     -14.8479      1.00000
     33     -14.2903      1.00000
     34     -14.2574      1.00000
     35     -13.4371      1.00000
     36     -13.4044      1.00000
     37     -13.1775      1.00000
     38     -13.1741      1.00000
     39     -12.9805      1.00000
     40     -12.9757      1.00000
     41     -12.6134      1.00000
     42     -12.6100      1.00000
     43     -12.1982      1.00000
     44     -11.5759      1.00000
     45     -11.5420      1.00000
     46     -11.3101      1.00000
     47     -11.2871      1.00000
     48     -11.1428      1.00000
     49     -10.6770      1.00000
     50     -10.6611      1.00000
     51     -10.5527      1.00000
     52     -10.3240      1.00000
     53     -10.3175      1.00000
     54     -10.1679      1.00000
     55     -10.1161      1.00000
     56     -10.1131      1.00000
     57      -9.7972      1.00000
     58      -9.7658      1.00000
     59      -9.7514      1.00000
     60      -9.6997      1.00000
     61      -9.6976      1.00000
     62      -9.6607      1.00000
     63      -9.3553      1.00000
     64      -9.3512      1.00000
     65      -9.3152      1.00000
     66      -9.0408      1.00000
     67      -8.9629      1.00000
     68      -8.9495      1.00000
     69      -8.7985      1.00000
     70      -8.5948      1.00000
     71      -8.5571      1.00000
     72      -8.3977      1.00000
     73      -8.3641      1.00000
     74      -8.3254      1.00000
     75      -8.3077      1.00000
     76      -8.2599      1.00000
     77      -8.2581      1.00000
     78      -8.2365      1.00000
     79      -7.9039      1.00000
     80      -7.6512      1.00000
     81      -7.5503      1.00000
     82      -7.3876      1.00000
     83      -7.3504      1.00000
     84      -7.2324      1.00000
     85      -7.0954      1.00000
     86      -7.0383      1.00000
     87      -6.9332      1.00000
     88      -6.8477      1.00000
     89      -6.6135      1.00000
     90      -6.5605      1.00000
     91      -6.2709      1.00000
     92      -6.0440      1.00000
     93      -5.9515      1.00000
     94      -5.6631      1.00000
     95      -5.6224      1.00000
     96      -5.4640      1.00000
     97      -5.3206      1.00000
     98      -5.2790      1.00000
     99      -5.2144      1.00000
    100      -5.1937      1.00000
    101      -4.5100      1.00000
    102      -4.2090      1.00000
    103      -4.0605      1.00000
    104      -3.9900      1.00000
    105      -3.6950      1.00000
    106      -3.4994      1.00000
    107      -1.9483      0.00000
    108      -1.8976      0.00000
    109      -1.3413      0.00000
    110      -1.0865      0.00000
    111      -1.0596      0.00000
    112      -0.8022      0.00000
    113      -0.6790      0.00000
    114      -0.6488      0.00000
    115      -0.6094      0.00000
    116      -0.1080      0.00000
    117       0.2129      0.00000
    118       0.3290      0.00000
    119       0.6936      0.00000
    120       0.8879      0.00000
    121       1.1251      0.00000
    122       1.1964      0.00000
    123       1.3253      0.00000
    124       1.4187      0.00000
    125       1.5506      0.00000
    126       1.5729      0.00000
    127       1.6738      0.00000
    128       1.8053      0.00000
    129       1.8738      0.00000
    130       2.0484      0.00000
    131       2.1154      0.00000
    132       2.3217      0.00000
    133       2.3558      0.00000
    134       2.3905      0.00000
    135       2.5380      0.00000
    136       2.6253      0.00000
    137       2.7237      0.00000
    138       2.7478      0.00000
    139       2.8134      0.00000
    140       2.8689      0.00000
    141       3.0295      0.00000
    142       3.0503      0.00000
    143       3.1540      0.00000
    144       3.2563      0.00000
    145       3.3552      0.00000
    146       3.4080      0.00000
    147       3.4226      0.00000
    148       3.5520      0.00000
    149       3.5672      0.00000
    150       3.5868      0.00000
    151       3.6534      0.00000
    152       3.6691      0.00000
    153       3.7714      0.00000
    154       3.7883      0.00000
    155       3.7948      0.00000
    156       3.8874      0.00000
    157       3.9128      0.00000
    158       3.9903      0.00000
    159       4.2032      0.00000
    160       4.2197      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3159      1.00000
      2     -21.9613      1.00000
      3     -21.8919      1.00000
      4     -21.3795      1.00000
      5     -21.3500      1.00000
      6     -20.8385      1.00000
      7     -20.7730      1.00000
      8     -20.6229      1.00000
      9     -20.0763      1.00000
     10     -20.0706      1.00000
     11     -19.7158      1.00000
     12     -19.6911      1.00000
     13     -18.9955      1.00000
     14     -18.9896      1.00000
     15     -18.6396      1.00000
     16     -18.6235      1.00000
     17     -18.4616      1.00000
     18     -17.6754      1.00000
     19     -17.6246      1.00000
     20     -17.6219      1.00000
     21     -17.5800      1.00000
     22     -17.1261      1.00000
     23     -17.1045      1.00000
     24     -16.9614      1.00000
     25     -16.0013      1.00000
     26     -15.9285      1.00000
     27     -15.5850      1.00000
     28     -15.5847      1.00000
     29     -15.2872      1.00000
     30     -14.8637      1.00000
     31     -14.8363      1.00000
     32     -14.5794      1.00000
     33     -14.5375      1.00000
     34     -14.1682      1.00000
     35     -14.1546      1.00000
     36     -13.1483      1.00000
     37     -13.0999      1.00000
     38     -13.0301      1.00000
     39     -13.0201      1.00000
     40     -12.7095      1.00000
     41     -12.7054      1.00000
     42     -12.3405      1.00000
     43     -12.3092      1.00000
     44     -11.6363      1.00000
     45     -11.6225      1.00000
     46     -11.5715      1.00000
     47     -10.9492      1.00000
     48     -10.9160      1.00000
     49     -10.6330      1.00000
     50     -10.6255      1.00000
     51     -10.5472      1.00000
     52     -10.4991      1.00000
     53     -10.4988      1.00000
     54     -10.4405      1.00000
     55     -10.3611      1.00000
     56     -10.0983      1.00000
     57      -9.9020      1.00000
     58      -9.6095      1.00000
     59      -9.5571      1.00000
     60      -9.4520      1.00000
     61      -9.4119      1.00000
     62      -9.4051      1.00000
     63      -9.3776      1.00000
     64      -9.3775      1.00000
     65      -9.2862      1.00000
     66      -9.1693      1.00000
     67      -9.1439      1.00000
     68      -9.1151      1.00000
     69      -8.8647      1.00000
     70      -8.8571      1.00000
     71      -8.8147      1.00000
     72      -8.5960      1.00000
     73      -8.4792      1.00000
     74      -8.1992      1.00000
     75      -8.1637      1.00000
     76      -8.0080      1.00000
     77      -7.9647      1.00000
     78      -7.8519      1.00000
     79      -7.8417      1.00000
     80      -7.7055      1.00000
     81      -7.6984      1.00000
     82      -7.6210      1.00000
     83      -7.4490      1.00000
     84      -7.2994      1.00000
     85      -7.2539      1.00000
     86      -6.9073      1.00000
     87      -6.8935      1.00000
     88      -6.5882      1.00000
     89      -6.5509      1.00000
     90      -6.4082      1.00000
     91      -6.2528      1.00000
     92      -6.2322      1.00000
     93      -6.2064      1.00000
     94      -6.0232      1.00000
     95      -5.5507      1.00000
     96      -5.4894      1.00000
     97      -5.3511      1.00000
     98      -5.2202      1.00000
     99      -4.9795      1.00000
    100      -4.7335      1.00000
    101      -4.6787      1.00000
    102      -4.3884      1.00000
    103      -4.2044      1.00000
    104      -3.8725      1.00000
    105      -3.5468      1.00000
    106      -3.5116      1.00000
    107      -2.2577      0.00000
    108      -1.4593      0.00000
    109      -1.3725      0.00000
    110      -1.2435      0.00000
    111      -1.0999      0.00000
    112      -0.9468      0.00000
    113      -0.8655      0.00000
    114      -0.8051      0.00000
    115      -0.1390      0.00000
    116       0.1096      0.00000
    117       0.2389      0.00000
    118       0.3768      0.00000
    119       0.6509      0.00000
    120       0.8339      0.00000
    121       0.9341      0.00000
    122       1.0633      0.00000
    123       1.2316      0.00000
    124       1.4476      0.00000
    125       1.5438      0.00000
    126       1.7631      0.00000
    127       1.7887      0.00000
    128       1.8663      0.00000
    129       1.9629      0.00000
    130       2.0412      0.00000
    131       2.1701      0.00000
    132       2.1891      0.00000
    133       2.4046      0.00000
    134       2.4481      0.00000
    135       2.5241      0.00000
    136       2.6007      0.00000
    137       2.6352      0.00000
    138       2.6928      0.00000
    139       2.7578      0.00000
    140       2.8272      0.00000
    141       2.9420      0.00000
    142       3.0669      0.00000
    143       3.1935      0.00000
    144       3.1994      0.00000
    145       3.2463      0.00000
    146       3.2973      0.00000
    147       3.3167      0.00000
    148       3.4579      0.00000
    149       3.4918      0.00000
    150       3.6940      0.00000
    151       3.7067      0.00000
    152       3.7226      0.00000
    153       3.8533      0.00000
    154       3.9055      0.00000
    155       3.9275      0.00000
    156       3.9720      0.00000
    157       4.0019      0.00000
    158       4.0354      0.00000
    159       4.0418      0.00000
    160       4.0441      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2090      1.00000
      2     -22.1158      1.00000
      3     -21.9552      1.00000
      4     -21.4029      1.00000
      5     -21.0485      1.00000
      6     -21.0124      1.00000
      7     -20.4995      1.00000
      8     -20.4599      1.00000
      9     -20.2938      1.00000
     10     -20.2744      1.00000
     11     -19.9564      1.00000
     12     -19.8906      1.00000
     13     -18.8816      1.00000
     14     -18.8128      1.00000
     15     -18.3524      1.00000
     16     -18.3060      1.00000
     17     -18.1525      1.00000
     18     -18.1351      1.00000
     19     -17.8264      1.00000
     20     -17.7886      1.00000
     21     -17.2520      1.00000
     22     -17.2412      1.00000
     23     -17.1652      1.00000
     24     -17.1323      1.00000
     25     -16.1088      1.00000
     26     -15.8846      1.00000
     27     -15.8693      1.00000
     28     -15.8341      1.00000
     29     -15.2372      1.00000
     30     -14.5549      1.00000
     31     -14.5269      1.00000
     32     -14.2810      1.00000
     33     -13.9641      1.00000
     34     -13.9565      1.00000
     35     -13.8209      1.00000
     36     -13.8049      1.00000
     37     -13.6149      1.00000
     38     -13.5709      1.00000
     39     -13.3685      1.00000
     40     -12.6335      1.00000
     41     -12.1816      1.00000
     42     -12.1334      1.00000
     43     -12.0714      1.00000
     44     -12.0190      1.00000
     45     -11.6705      1.00000
     46     -11.6569      1.00000
     47     -11.1396      1.00000
     48     -11.1189      1.00000
     49     -10.7946      1.00000
     50     -10.7308      1.00000
     51     -10.5286      1.00000
     52     -10.2096      1.00000
     53     -10.2056      1.00000
     54     -10.1630      1.00000
     55     -10.0182      1.00000
     56     -10.0033      1.00000
     57      -9.9904      1.00000
     58      -9.8016      1.00000
     59      -9.7981      1.00000
     60      -9.7633      1.00000
     61      -9.7586      1.00000
     62      -9.4545      1.00000
     63      -9.4166      1.00000
     64      -9.0802      1.00000
     65      -9.0733      1.00000
     66      -9.0411      1.00000
     67      -8.9564      1.00000
     68      -8.8762      1.00000
     69      -8.7130      1.00000
     70      -8.7007      1.00000
     71      -8.5662      1.00000
     72      -8.5433      1.00000
     73      -8.4991      1.00000
     74      -8.4635      1.00000
     75      -8.4537      1.00000
     76      -8.2598      1.00000
     77      -8.1249      1.00000
     78      -8.0426      1.00000
     79      -7.9166      1.00000
     80      -7.8630      1.00000
     81      -7.6145      1.00000
     82      -7.5491      1.00000
     83      -7.4893      1.00000
     84      -7.2691      1.00000
     85      -6.9971      1.00000
     86      -6.9247      1.00000
     87      -6.8834      1.00000
     88      -6.5337      1.00000
     89      -6.4882      1.00000
     90      -6.4610      1.00000
     91      -6.4097      1.00000
     92      -5.9841      1.00000
     93      -5.8976      1.00000
     94      -5.7848      1.00000
     95      -5.7593      1.00000
     96      -5.4328      1.00000
     97      -5.3297      1.00000
     98      -5.2306      1.00000
     99      -5.2183      1.00000
    100      -5.1883      1.00000
    101      -4.6929      1.00000
    102      -4.4226      1.00000
    103      -4.2109      1.00000
    104      -3.8357      1.00000
    105      -3.5308      1.00000
    106      -3.2748      1.00000
    107      -2.5325      0.00000
    108      -1.4605      0.00000
    109      -1.2681      0.00000
    110      -1.2043      0.00000
    111      -1.1741      0.00000
    112      -0.7216      0.00000
    113      -0.5057      0.00000
    114      -0.4138      0.00000
    115      -0.3414      0.00000
    116      -0.1476      0.00000
    117      -0.0052      0.00000
    118       0.1943      0.00000
    119       0.5603      0.00000
    120       0.6101      0.00000
    121       0.7955      0.00000
    122       0.9068      0.00000
    123       1.1317      0.00000
    124       1.4898      0.00000
    125       1.6333      0.00000
    126       1.8440      0.00000
    127       1.9218      0.00000
    128       2.0986      0.00000
    129       2.1110      0.00000
    130       2.1381      0.00000
    131       2.1835      0.00000
    132       2.2764      0.00000
    133       2.3309      0.00000
    134       2.4687      0.00000
    135       2.5783      0.00000
    136       2.6512      0.00000
    137       2.8481      0.00000
    138       2.8670      0.00000
    139       2.8884      0.00000
    140       2.9863      0.00000
    141       3.0064      0.00000
    142       3.1359      0.00000
    143       3.1707      0.00000
    144       3.2158      0.00000
    145       3.2640      0.00000
    146       3.2801      0.00000
    147       3.2964      0.00000
    148       3.3428      0.00000
    149       3.4179      0.00000
    150       3.4393      0.00000
    151       3.5458      0.00000
    152       3.6146      0.00000
    153       3.6966      0.00000
    154       3.7209      0.00000
    155       3.7671      0.00000
    156       3.8921      0.00000
    157       3.9230      0.00000
    158       3.9960      0.00000
    159       4.1217      0.00000
    160       4.2124      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3157      1.00000
      2     -21.9628      1.00000
      3     -21.8905      1.00000
      4     -21.3832      1.00000
      5     -21.3467      1.00000
      6     -20.8381      1.00000
      7     -20.7716      1.00000
      8     -20.6236      1.00000
      9     -20.0885      1.00000
     10     -20.0596      1.00000
     11     -19.7173      1.00000
     12     -19.6885      1.00000
     13     -19.0090      1.00000
     14     -18.9778      1.00000
     15     -18.6492      1.00000
     16     -18.6163      1.00000
     17     -18.4597      1.00000
     18     -17.6601      1.00000
     19     -17.6461      1.00000
     20     -17.6100      1.00000
     21     -17.5773      1.00000
     22     -17.1371      1.00000
     23     -17.0969      1.00000
     24     -16.9661      1.00000
     25     -16.0087      1.00000
     26     -15.9219      1.00000
     27     -15.5983      1.00000
     28     -15.5747      1.00000
     29     -15.2794      1.00000
     30     -14.8766      1.00000
     31     -14.8294      1.00000
     32     -14.5746      1.00000
     33     -14.5368      1.00000
     34     -14.1639      1.00000
     35     -14.1597      1.00000
     36     -13.1628      1.00000
     37     -13.0951      1.00000
     38     -13.0230      1.00000
     39     -13.0185      1.00000
     40     -12.7181      1.00000
     41     -12.6947      1.00000
     42     -12.3401      1.00000
     43     -12.3129      1.00000
     44     -11.6323      1.00000
     45     -11.6229      1.00000
     46     -11.5694      1.00000
     47     -10.9407      1.00000
     48     -10.9228      1.00000
     49     -10.6697      1.00000
     50     -10.5903      1.00000
     51     -10.5731      1.00000
     52     -10.5010      1.00000
     53     -10.4889      1.00000
     54     -10.4399      1.00000
     55     -10.3559      1.00000
     56     -10.1026      1.00000
     57      -9.8962      1.00000
     58      -9.6086      1.00000
     59      -9.5513      1.00000
     60      -9.4538      1.00000
     61      -9.4188      1.00000
     62      -9.4093      1.00000
     63      -9.3792      1.00000
     64      -9.3722      1.00000
     65      -9.2664      1.00000
     66      -9.1663      1.00000
     67      -9.1423      1.00000
     68      -9.1159      1.00000
     69      -8.8665      1.00000
     70      -8.8606      1.00000
     71      -8.8017      1.00000
     72      -8.5954      1.00000
     73      -8.5262      1.00000
     74      -8.1939      1.00000
     75      -8.1710      1.00000
     76      -8.0752      1.00000
     77      -7.8583      1.00000
     78      -7.8374      1.00000
     79      -7.8241      1.00000
     80      -7.7116      1.00000
     81      -7.6972      1.00000
     82      -7.5964      1.00000
     83      -7.5306      1.00000
     84      -7.3496      1.00000
     85      -7.1679      1.00000
     86      -6.9064      1.00000
     87      -6.8969      1.00000
     88      -6.5923      1.00000
     89      -6.5508      1.00000
     90      -6.4074      1.00000
     91      -6.3022      1.00000
     92      -6.2474      1.00000
     93      -6.2025      1.00000
     94      -6.0038      1.00000
     95      -5.5324      1.00000
     96      -5.4650      1.00000
     97      -5.3144      1.00000
     98      -5.2095      1.00000
     99      -5.0479      1.00000
    100      -4.7245      1.00000
    101      -4.6721      1.00000
    102      -4.4251      1.00000
    103      -4.1960      1.00000
    104      -3.8444      1.00000
    105      -3.6359      1.00000
    106      -3.4172      1.00000
    107      -2.2940      0.00000
    108      -1.5116      0.00000
    109      -1.2717      0.00000
    110      -1.2640      0.00000
    111      -1.0361      0.00000
    112      -0.9791      0.00000
    113      -0.8698      0.00000
    114      -0.8017      0.00000
    115      -0.2617      0.00000
    116       0.2020      0.00000
    117       0.2371      0.00000
    118       0.3596      0.00000
    119       0.6900      0.00000
    120       0.8916      0.00000
    121       0.9219      0.00000
    122       1.0403      0.00000
    123       1.1668      0.00000
    124       1.5083      0.00000
    125       1.5534      0.00000
    126       1.7058      0.00000
    127       1.7756      0.00000
    128       1.8288      0.00000
    129       1.9584      0.00000
    130       1.9778      0.00000
    131       2.1802      0.00000
    132       2.2540      0.00000
    133       2.4092      0.00000
    134       2.4524      0.00000
    135       2.5251      0.00000
    136       2.5964      0.00000
    137       2.6148      0.00000
    138       2.6958      0.00000
    139       2.7389      0.00000
    140       2.8554      0.00000
    141       3.0314      0.00000
    142       3.0657      0.00000
    143       3.1798      0.00000
    144       3.2323      0.00000
    145       3.2488      0.00000
    146       3.2853      0.00000
    147       3.3293      0.00000
    148       3.4438      0.00000
    149       3.5131      0.00000
    150       3.6884      0.00000
    151       3.7125      0.00000
    152       3.7428      0.00000
    153       3.8252      0.00000
    154       3.8801      0.00000
    155       3.9174      0.00000
    156       3.9684      0.00000
    157       3.9998      0.00000
    158       4.0272      0.00000
    159       4.0324      0.00000
    160       4.0866      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3878      1.00000
      2     -21.8292      1.00000
      3     -21.6399      1.00000
      4     -21.6048      1.00000
      5     -21.2774      1.00000
      6     -21.2302      1.00000
      7     -21.0549      1.00000
      8     -20.1702      1.00000
      9     -20.1240      1.00000
     10     -19.6159      1.00000
     11     -19.5899      1.00000
     12     -19.4144      1.00000
     13     -19.0937      1.00000
     14     -19.0549      1.00000
     15     -19.0506      1.00000
     16     -19.0377      1.00000
     17     -18.3660      1.00000
     18     -18.3464      1.00000
     19     -18.0156      1.00000
     20     -17.0719      1.00000
     21     -17.0228      1.00000
     22     -16.9495      1.00000
     23     -16.9358      1.00000
     24     -16.4753      1.00000
     25     -16.4631      1.00000
     26     -15.6087      1.00000
     27     -15.6082      1.00000
     28     -15.2490      1.00000
     29     -15.2371      1.00000
     30     -15.1909      1.00000
     31     -15.1008      1.00000
     32     -15.0680      1.00000
     33     -14.6979      1.00000
     34     -14.6971      1.00000
     35     -13.7249      1.00000
     36     -13.7248      1.00000
     37     -13.2349      1.00000
     38     -12.6247      1.00000
     39     -12.5806      1.00000
     40     -12.4538      1.00000
     41     -12.4485      1.00000
     42     -12.1052      1.00000
     43     -12.1005      1.00000
     44     -11.7216      1.00000
     45     -11.6828      1.00000
     46     -11.2463      1.00000
     47     -11.2257      1.00000
     48     -11.0171      1.00000
     49     -11.0054      1.00000
     50     -10.9275      1.00000
     51     -10.8987      1.00000
     52     -10.6363      1.00000
     53     -10.1724      1.00000
     54     -10.1493      1.00000
     55     -10.0850      1.00000
     56      -9.9914      1.00000
     57      -9.6961      1.00000
     58      -9.6893      1.00000
     59      -9.6692      1.00000
     60      -9.5922      1.00000
     61      -9.5683      1.00000
     62      -9.5527      1.00000
     63      -9.3124      1.00000
     64      -9.2999      1.00000
     65      -9.2824      1.00000
     66      -9.2439      1.00000
     67      -9.1211      1.00000
     68      -9.1125      1.00000
     69      -9.1105      1.00000
     70      -8.9383      1.00000
     71      -8.8762      1.00000
     72      -8.6063      1.00000
     73      -8.5874      1.00000
     74      -8.2710      1.00000
     75      -8.1022      1.00000
     76      -7.8689      1.00000
     77      -7.8427      1.00000
     78      -7.7906      1.00000
     79      -7.7650      1.00000
     80      -7.7562      1.00000
     81      -7.4485      1.00000
     82      -7.3353      1.00000
     83      -7.3240      1.00000
     84      -7.2659      1.00000
     85      -7.1615      1.00000
     86      -7.0165      1.00000
     87      -6.9858      1.00000
     88      -6.7176      1.00000
     89      -6.6899      1.00000
     90      -6.6311      1.00000
     91      -6.5900      1.00000
     92      -6.1188      1.00000
     93      -6.0599      1.00000
     94      -6.0446      1.00000
     95      -6.0297      1.00000
     96      -5.7475      1.00000
     97      -4.9761      1.00000
     98      -4.8405      1.00000
     99      -4.7092      1.00000
    100      -4.6736      1.00000
    101      -4.4849      1.00000
    102      -4.3539      1.00000
    103      -4.1129      1.00000
    104      -4.0565      1.00000
    105      -3.7560      1.00000
    106      -3.4667      1.00000
    107      -1.9527      0.00000
    108      -1.7726      0.00000
    109      -1.4814      0.00000
    110      -1.3573      0.00000
    111      -1.3374      0.00000
    112      -1.2943      0.00000
    113      -0.6799      0.00000
    114      -0.4731      0.00000
    115      -0.2376      0.00000
    116       0.0520      0.00000
    117       0.5867      0.00000
    118       0.6898      0.00000
    119       0.7682      0.00000
    120       1.0211      0.00000
    121       1.0940      0.00000
    122       1.1752      0.00000
    123       1.2506      0.00000
    124       1.3325      0.00000
    125       1.4303      0.00000
    126       1.5919      0.00000
    127       1.7570      0.00000
    128       1.8399      0.00000
    129       1.8562      0.00000
    130       1.8852      0.00000
    131       2.0446      0.00000
    132       2.2139      0.00000
    133       2.2273      0.00000
    134       2.2776      0.00000
    135       2.4736      0.00000
    136       2.6032      0.00000
    137       2.6339      0.00000
    138       2.7440      0.00000
    139       2.7725      0.00000
    140       2.8320      0.00000
    141       2.8413      0.00000
    142       2.8617      0.00000
    143       2.9424      0.00000
    144       3.0738      0.00000
    145       3.3057      0.00000
    146       3.3493      0.00000
    147       3.3937      0.00000
    148       3.4078      0.00000
    149       3.4120      0.00000
    150       3.5735      0.00000
    151       3.6351      0.00000
    152       3.6567      0.00000
    153       3.7193      0.00000
    154       3.8860      0.00000
    155       3.9148      0.00000
    156       3.9469      0.00000
    157       4.1042      0.00000
    158       4.1952      0.00000
    159       4.2303      0.00000
    160       4.2734      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2081      1.00000
      2     -22.1171      1.00000
      3     -21.9549      1.00000
      4     -21.4031      1.00000
      5     -21.0447      1.00000
      6     -21.0161      1.00000
      7     -20.4948      1.00000
      8     -20.4646      1.00000
      9     -20.2847      1.00000
     10     -20.2827      1.00000
     11     -19.9556      1.00000
     12     -19.8923      1.00000
     13     -18.8827      1.00000
     14     -18.8149      1.00000
     15     -18.3367      1.00000
     16     -18.3176      1.00000
     17     -18.1483      1.00000
     18     -18.1408      1.00000
     19     -17.8149      1.00000
     20     -17.7968      1.00000
     21     -17.2582      1.00000
     22     -17.2384      1.00000
     23     -17.1595      1.00000
     24     -17.1353      1.00000
     25     -16.1153      1.00000
     26     -15.8795      1.00000
     27     -15.8684      1.00000
     28     -15.8410      1.00000
     29     -15.2306      1.00000
     30     -14.5509      1.00000
     31     -14.5323      1.00000
     32     -14.2756      1.00000
     33     -13.9747      1.00000
     34     -13.9510      1.00000
     35     -13.8252      1.00000
     36     -13.8028      1.00000
     37     -13.6040      1.00000
     38     -13.5785      1.00000
     39     -13.3686      1.00000
     40     -12.6377      1.00000
     41     -12.1692      1.00000
     42     -12.1427      1.00000
     43     -12.0673      1.00000
     44     -12.0204      1.00000
     45     -11.6650      1.00000
     46     -11.6602      1.00000
     47     -11.1376      1.00000
     48     -11.1265      1.00000
     49     -10.7907      1.00000
     50     -10.7344      1.00000
     51     -10.5355      1.00000
     52     -10.2080      1.00000
     53     -10.2018      1.00000
     54     -10.1687      1.00000
     55     -10.0225      1.00000
     56      -9.9928      1.00000
     57      -9.9900      1.00000
     58      -9.8050      1.00000
     59      -9.7957      1.00000
     60      -9.7655      1.00000
     61      -9.7579      1.00000
     62      -9.4551      1.00000
     63      -9.4165      1.00000
     64      -9.0848      1.00000
     65      -9.0461      1.00000
     66      -9.0248      1.00000
     67      -8.9708      1.00000
     68      -8.8969      1.00000
     69      -8.7083      1.00000
     70      -8.6990      1.00000
     71      -8.5612      1.00000
     72      -8.5501      1.00000
     73      -8.4775      1.00000
     74      -8.4599      1.00000
     75      -8.4567      1.00000
     76      -8.3081      1.00000
     77      -8.0944      1.00000
     78      -8.0881      1.00000
     79      -7.9271      1.00000
     80      -7.8312      1.00000
     81      -7.6004      1.00000
     82      -7.5385      1.00000
     83      -7.4418      1.00000
     84      -7.3165      1.00000
     85      -6.9949      1.00000
     86      -6.9202      1.00000
     87      -6.8831      1.00000
     88      -6.5294      1.00000
     89      -6.5152      1.00000
     90      -6.4818      1.00000
     91      -6.4204      1.00000
     92      -5.9270      1.00000
     93      -5.9051      1.00000
     94      -5.7887      1.00000
     95      -5.7749      1.00000
     96      -5.3697      1.00000
     97      -5.3634      1.00000
     98      -5.2202      1.00000
     99      -5.2157      1.00000
    100      -5.1991      1.00000
    101      -4.7215      1.00000
    102      -4.4437      1.00000
    103      -4.1921      1.00000
    104      -3.8219      1.00000
    105      -3.5673      1.00000
    106      -3.2223      1.00000
    107      -2.5638      0.00000
    108      -1.4656      0.00000
    109      -1.2683      0.00000
    110      -1.1868      0.00000
    111      -1.1853      0.00000
    112      -0.6466      0.00000
    113      -0.5534      0.00000
    114      -0.4168      0.00000
    115      -0.3497      0.00000
    116      -0.0791      0.00000
    117      -0.0653      0.00000
    118       0.1260      0.00000
    119       0.5905      0.00000
    120       0.6249      0.00000
    121       0.8551      0.00000
    122       0.9841      0.00000
    123       1.0038      0.00000
    124       1.4939      0.00000
    125       1.6815      0.00000
    126       1.7553      0.00000
    127       1.8535      0.00000
    128       2.1042      0.00000
    129       2.1342      0.00000
    130       2.1864      0.00000
    131       2.2067      0.00000
    132       2.2519      0.00000
    133       2.3447      0.00000
    134       2.4919      0.00000
    135       2.5118      0.00000
    136       2.6571      0.00000
    137       2.8491      0.00000
    138       2.8556      0.00000
    139       2.9474      0.00000
    140       2.9744      0.00000
    141       3.0192      0.00000
    142       3.1320      0.00000
    143       3.1841      0.00000
    144       3.2274      0.00000
    145       3.2394      0.00000
    146       3.2744      0.00000
    147       3.2996      0.00000
    148       3.3514      0.00000
    149       3.4148      0.00000
    150       3.5426      0.00000
    151       3.5598      0.00000
    152       3.6415      0.00000
    153       3.6548      0.00000
    154       3.6932      0.00000
    155       3.7172      0.00000
    156       3.8939      0.00000
    157       3.9423      0.00000
    158       4.0262      0.00000
    159       4.0668      0.00000
    160       4.1742      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2815      1.00000
      2     -22.0769      1.00000
      3     -21.7187      1.00000
      4     -21.6794      1.00000
      5     -20.9814      1.00000
      6     -20.9335      1.00000
      7     -20.6100      1.00000
      8     -20.5776      1.00000
      9     -20.5641      1.00000
     10     -20.0308      1.00000
     11     -19.5124      1.00000
     12     -19.4824      1.00000
     13     -19.3103      1.00000
     14     -19.2975      1.00000
     15     -18.4487      1.00000
     16     -18.4054      1.00000
     17     -17.9270      1.00000
     18     -17.9067      1.00000
     19     -17.7651      1.00000
     20     -17.7201      1.00000
     21     -17.4412      1.00000
     22     -17.4228      1.00000
     23     -17.3374      1.00000
     24     -16.4713      1.00000
     25     -16.4608      1.00000
     26     -15.9694      1.00000
     27     -15.4103      1.00000
     28     -15.4095      1.00000
     29     -15.0956      1.00000
     30     -15.0924      1.00000
     31     -14.8526      1.00000
     32     -14.8406      1.00000
     33     -14.2976      1.00000
     34     -14.2539      1.00000
     35     -13.4444      1.00000
     36     -13.4006      1.00000
     37     -13.1750      1.00000
     38     -13.1739      1.00000
     39     -12.9842      1.00000
     40     -12.9754      1.00000
     41     -12.6107      1.00000
     42     -12.6089      1.00000
     43     -12.1966      1.00000
     44     -11.5795      1.00000
     45     -11.5382      1.00000
     46     -11.3132      1.00000
     47     -11.2828      1.00000
     48     -11.1421      1.00000
     49     -10.6934      1.00000
     50     -10.6642      1.00000
     51     -10.5467      1.00000
     52     -10.3218      1.00000
     53     -10.3142      1.00000
     54     -10.1743      1.00000
     55     -10.1225      1.00000
     56     -10.1088      1.00000
     57      -9.8106      1.00000
     58      -9.7520      1.00000
     59      -9.7519      1.00000
     60      -9.7019      1.00000
     61      -9.6981      1.00000
     62      -9.6453      1.00000
     63      -9.3526      1.00000
     64      -9.3511      1.00000
     65      -9.3188      1.00000
     66      -9.0273      1.00000
     67      -8.9615      1.00000
     68      -8.9576      1.00000
     69      -8.7742      1.00000
     70      -8.5927      1.00000
     71      -8.5880      1.00000
     72      -8.4228      1.00000
     73      -8.3486      1.00000
     74      -8.3234      1.00000
     75      -8.3023      1.00000
     76      -8.2665      1.00000
     77      -8.2553      1.00000
     78      -8.2403      1.00000
     79      -7.9204      1.00000
     80      -7.7335      1.00000
     81      -7.3802      1.00000
     82      -7.3509      1.00000
     83      -7.3255      1.00000
     84      -7.2181      1.00000
     85      -7.1600      1.00000
     86      -7.0642      1.00000
     87      -6.9605      1.00000
     88      -6.9043      1.00000
     89      -6.6152      1.00000
     90      -6.5576      1.00000
     91      -6.2730      1.00000
     92      -5.9963      1.00000
     93      -5.9591      1.00000
     94      -5.6754      1.00000
     95      -5.6490      1.00000
     96      -5.3876      1.00000
     97      -5.3150      1.00000
     98      -5.2941      1.00000
     99      -5.2121      1.00000
    100      -5.2006      1.00000
    101      -4.5131      1.00000
    102      -4.3405      1.00000
    103      -3.9979      1.00000
    104      -3.8869      1.00000
    105      -3.7940      1.00000
    106      -3.4445      1.00000
    107      -2.0365      0.00000
    108      -1.8648      0.00000
    109      -1.2197      0.00000
    110      -1.1852      0.00000
    111      -1.0376      0.00000
    112      -0.7742      0.00000
    113      -0.6790      0.00000
    114      -0.6619      0.00000
    115      -0.6117      0.00000
    116      -0.1014      0.00000
    117       0.2200      0.00000
    118       0.2392      0.00000
    119       0.7688      0.00000
    120       0.9828      0.00000
    121       1.0729      0.00000
    122       1.2390      0.00000
    123       1.2496      0.00000
    124       1.3411      0.00000
    125       1.5735      0.00000
    126       1.5820      0.00000
    127       1.6943      0.00000
    128       1.7931      0.00000
    129       1.9426      0.00000
    130       1.9519      0.00000
    131       2.0774      0.00000
    132       2.2877      0.00000
    133       2.3376      0.00000
    134       2.4122      0.00000
    135       2.5351      0.00000
    136       2.6227      0.00000
    137       2.7570      0.00000
    138       2.8154      0.00000
    139       2.8392      0.00000
    140       2.8544      0.00000
    141       3.0262      0.00000
    142       3.0957      0.00000
    143       3.1454      0.00000
    144       3.2097      0.00000
    145       3.3699      0.00000
    146       3.4083      0.00000
    147       3.4899      0.00000
    148       3.5249      0.00000
    149       3.5861      0.00000
    150       3.5963      0.00000
    151       3.6352      0.00000
    152       3.7288      0.00000
    153       3.7380      0.00000
    154       3.7649      0.00000
    155       3.8055      0.00000
    156       3.8699      0.00000
    157       4.0178      0.00000
    158       4.0792      0.00000
    159       4.1585      0.00000
    160       4.2005      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4246      1.00000
      2     -21.6019      1.00000
      3     -21.4797      1.00000
      4     -21.4708      1.00000
      5     -21.4391      1.00000
      6     -21.4384      1.00000
      7     -21.4281      1.00000
      8     -19.7065      1.00000
      9     -19.6514      1.00000
     10     -19.6284      1.00000
     11     -19.6169      1.00000
     12     -19.6117      1.00000
     13     -19.6108      1.00000
     14     -18.7890      1.00000
     15     -18.7535      1.00000
     16     -18.7341      1.00000
     17     -18.7246      1.00000
     18     -18.7170      1.00000
     19     -18.7117      1.00000
     20     -16.6355      1.00000
     21     -16.6087      1.00000
     22     -16.5845      1.00000
     23     -16.5815      1.00000
     24     -16.5540      1.00000
     25     -16.5526      1.00000
     26     -15.6139      1.00000
     27     -15.6010      1.00000
     28     -15.5978      1.00000
     29     -15.5638      1.00000
     30     -15.5618      1.00000
     31     -15.5611      1.00000
     32     -14.2594      1.00000
     33     -14.2504      1.00000
     34     -14.2404      1.00000
     35     -14.2353      1.00000
     36     -14.2221      1.00000
     37     -14.2188      1.00000
     38     -11.9063      1.00000
     39     -11.8795      1.00000
     40     -11.8680      1.00000
     41     -11.8666      1.00000
     42     -11.8453      1.00000
     43     -11.8453      1.00000
     44     -11.7705      1.00000
     45     -11.7683      1.00000
     46     -11.7349      1.00000
     47     -11.7284      1.00000
     48     -11.7248      1.00000
     49     -11.7214      1.00000
     50     -10.6752      1.00000
     51     -10.3884      1.00000
     52     -10.3834      1.00000
     53     -10.3764      1.00000
     54     -10.3684      1.00000
     55     -10.3551      1.00000
     56     -10.3531      1.00000
     57      -9.9037      1.00000
     58      -9.4493      1.00000
     59      -9.4041      1.00000
     60      -9.3610      1.00000
     61      -9.3603      1.00000
     62      -9.3525      1.00000
     63      -9.1424      1.00000
     64      -9.1229      1.00000
     65      -9.1213      1.00000
     66      -9.0854      1.00000
     67      -9.0719      1.00000
     68      -9.0715      1.00000
     69      -9.0708      1.00000
     70      -9.0652      1.00000
     71      -9.0644      1.00000
     72      -9.0397      1.00000
     73      -9.0295      1.00000
     74      -9.0263      1.00000
     75      -8.1295      1.00000
     76      -7.7484      1.00000
     77      -7.4699      1.00000
     78      -7.4669      1.00000
     79      -7.4550      1.00000
     80      -7.4350      1.00000
     81      -7.4249      1.00000
     82      -7.4075      1.00000
     83      -7.3124      1.00000
     84      -7.2702      1.00000
     85      -7.2565      1.00000
     86      -7.2481      1.00000
     87      -7.1488      1.00000
     88      -7.0494      1.00000
     89      -6.4456      1.00000
     90      -6.4160      1.00000
     91      -6.4003      1.00000
     92      -6.3630      1.00000
     93      -6.3523      1.00000
     94      -6.3401      1.00000
     95      -5.9603      1.00000
     96      -5.9594      1.00000
     97      -4.8084      1.00000
     98      -4.5458      1.00000
     99      -4.4820      1.00000
    100      -4.4755      1.00000
    101      -4.3826      1.00000
    102      -4.3822      1.00000
    103      -4.2687      1.00000
    104      -4.1883      1.00000
    105      -3.7402      1.00000
    106      -3.4789      1.00000
    107      -1.8642      0.00000
    108      -1.6717      0.00000
    109      -1.6258      0.00000
    110      -1.5930      0.00000
    111      -1.5773      0.00000
    112      -1.5765      0.00000
    113      -0.4293      0.00000
    114       0.1445      0.00000
    115       0.1896      0.00000
    116       0.2533      0.00000
    117       0.2655      0.00000
    118       0.2689      0.00000
    119       0.4775      0.00000
    120       0.5467      0.00000
    121       1.2466      0.00000
    122       1.2910      0.00000
    123       1.5289      0.00000
    124       1.7696      0.00000
    125       1.7723      0.00000
    126       1.7726      0.00000
    127       1.7938      0.00000
    128       1.8264      0.00000
    129       1.9552      0.00000
    130       1.9653      0.00000
    131       1.9708      0.00000
    132       1.9855      0.00000
    133       1.9930      0.00000
    134       2.0762      0.00000
    135       2.2454      0.00000
    136       2.3421      0.00000
    137       2.6004      0.00000
    138       2.6007      0.00000
    139       2.6267      0.00000
    140       2.6878      0.00000
    141       2.9311      0.00000
    142       3.0383      0.00000
    143       3.0554      0.00000
    144       3.0852      0.00000
    145       3.0854      0.00000
    146       3.0886      0.00000
    147       3.0976      0.00000
    148       3.2646      0.00000
    149       3.4426      0.00000
    150       3.4952      0.00000
    151       3.8120      0.00000
    152       3.9241      0.00000
    153       3.9253      0.00000
    154       3.9265      0.00000
    155       3.9462      0.00000
    156       3.9892      0.00000
    157       4.1826      0.00000
    158       4.2605      0.00000
    159       4.2731      0.00000
    160       4.2824      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3879      1.00000
      2     -21.8290      1.00000
      3     -21.6366      1.00000
      4     -21.6087      1.00000
      5     -21.2732      1.00000
      6     -21.2337      1.00000
      7     -21.0554      1.00000
      8     -20.1665      1.00000
      9     -20.1282      1.00000
     10     -19.6074      1.00000
     11     -19.5964      1.00000
     12     -19.4162      1.00000
     13     -19.0888      1.00000
     14     -19.0587      1.00000
     15     -19.0479      1.00000
     16     -19.0404      1.00000
     17     -18.3598      1.00000
     18     -18.3514      1.00000
     19     -18.0186      1.00000
     20     -17.0692      1.00000
     21     -17.0302      1.00000
     22     -16.9441      1.00000
     23     -16.9393      1.00000
     24     -16.4679      1.00000
     25     -16.4626      1.00000
     26     -15.6133      1.00000
     27     -15.6064      1.00000
     28     -15.2523      1.00000
     29     -15.2434      1.00000
     30     -15.1843      1.00000
     31     -15.0975      1.00000
     32     -15.0706      1.00000
     33     -14.6979      1.00000
     34     -14.6961      1.00000
     35     -13.7263      1.00000
     36     -13.7238      1.00000
     37     -13.2360      1.00000
     38     -12.6148      1.00000
     39     -12.5845      1.00000
     40     -12.4536      1.00000
     41     -12.4498      1.00000
     42     -12.1099      1.00000
     43     -12.1052      1.00000
     44     -11.7166      1.00000
     45     -11.6856      1.00000
     46     -11.2358      1.00000
     47     -11.2266      1.00000
     48     -11.0177      1.00000
     49     -11.0097      1.00000
     50     -10.9262      1.00000
     51     -10.9046      1.00000
     52     -10.6302      1.00000
     53     -10.1554      1.00000
     54     -10.1505      1.00000
     55     -10.0926      1.00000
     56      -9.9980      1.00000
     57      -9.7026      1.00000
     58      -9.6953      1.00000
     59      -9.6549      1.00000
     60      -9.5916      1.00000
     61      -9.5772      1.00000
     62      -9.5585      1.00000
     63      -9.3077      1.00000
     64      -9.3034      1.00000
     65      -9.2732      1.00000
     66      -9.2363      1.00000
     67      -9.1355      1.00000
     68      -9.1161      1.00000
     69      -9.1111      1.00000
     70      -8.9385      1.00000
     71      -8.8720      1.00000
     72      -8.6055      1.00000
     73      -8.5918      1.00000
     74      -8.2362      1.00000
     75      -8.1021      1.00000
     76      -7.9134      1.00000
     77      -7.8642      1.00000
     78      -7.7727      1.00000
     79      -7.7577      1.00000
     80      -7.6914      1.00000
     81      -7.5617      1.00000
     82      -7.3400      1.00000
     83      -7.3238      1.00000
     84      -7.2034      1.00000
     85      -7.1231      1.00000
     86      -7.0315      1.00000
     87      -7.0130      1.00000
     88      -6.7041      1.00000
     89      -6.6773      1.00000
     90      -6.6407      1.00000
     91      -6.5972      1.00000
     92      -6.1177      1.00000
     93      -6.0627      1.00000
     94      -6.0320      1.00000
     95      -6.0110      1.00000
     96      -5.7836      1.00000
     97      -4.9759      1.00000
     98      -4.8326      1.00000
     99      -4.7476      1.00000
    100      -4.6800      1.00000
    101      -4.4702      1.00000
    102      -4.2048      1.00000
    103      -4.1727      1.00000
    104      -4.1288      1.00000
    105      -3.7304      1.00000
    106      -3.4892      1.00000
    107      -1.8724      0.00000
    108      -1.8102      0.00000
    109      -1.5264      0.00000
    110      -1.3790      0.00000
    111      -1.3230      0.00000
    112      -1.2898      0.00000
    113      -0.7217      0.00000
    114      -0.3775      0.00000
    115      -0.2515      0.00000
    116       0.0377      0.00000
    117       0.5552      0.00000
    118       0.6964      0.00000
    119       0.7441      0.00000
    120       1.0466      0.00000
    121       1.0972      0.00000
    122       1.1481      0.00000
    123       1.2253      0.00000
    124       1.3759      0.00000
    125       1.5214      0.00000
    126       1.5763      0.00000
    127       1.7124      0.00000
    128       1.8083      0.00000
    129       1.8536      0.00000
    130       1.8787      0.00000
    131       2.0946      0.00000
    132       2.1826      0.00000
    133       2.2385      0.00000
    134       2.2993      0.00000
    135       2.5052      0.00000
    136       2.5793      0.00000
    137       2.6267      0.00000
    138       2.7679      0.00000
    139       2.7847      0.00000
    140       2.8199      0.00000
    141       2.8504      0.00000
    142       2.8888      0.00000
    143       2.9391      0.00000
    144       3.0694      0.00000
    145       3.1451      0.00000
    146       3.3070      0.00000
    147       3.3727      0.00000
    148       3.4222      0.00000
    149       3.4525      0.00000
    150       3.5960      0.00000
    151       3.6379      0.00000
    152       3.6481      0.00000
    153       3.6982      0.00000
    154       3.8925      0.00000
    155       3.9525      0.00000
    156       4.0094      0.00000
    157       4.0631      0.00000
    158       4.2145      0.00000
    159       4.2355      0.00000
    160       4.2713      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2820      1.00000
      2     -22.0763      1.00000
      3     -21.7151      1.00000
      4     -21.6831      1.00000
      5     -20.9781      1.00000
      6     -20.9373      1.00000
      7     -20.6106      1.00000
      8     -20.5739      1.00000
      9     -20.5675      1.00000
     10     -20.0315      1.00000
     11     -19.5022      1.00000
     12     -19.4905      1.00000
     13     -19.3056      1.00000
     14     -19.3005      1.00000
     15     -18.4470      1.00000
     16     -18.4102      1.00000
     17     -17.9217      1.00000
     18     -17.9121      1.00000
     19     -17.7612      1.00000
     20     -17.7253      1.00000
     21     -17.4356      1.00000
     22     -17.4278      1.00000
     23     -17.3409      1.00000
     24     -16.4625      1.00000
     25     -16.4611      1.00000
     26     -15.9659      1.00000
     27     -15.4135      1.00000
     28     -15.4082      1.00000
     29     -15.0958      1.00000
     30     -15.0927      1.00000
     31     -14.8553      1.00000
     32     -14.8479      1.00000
     33     -14.2903      1.00000
     34     -14.2574      1.00000
     35     -13.4371      1.00000
     36     -13.4044      1.00000
     37     -13.1775      1.00000
     38     -13.1741      1.00000
     39     -12.9805      1.00000
     40     -12.9757      1.00000
     41     -12.6134      1.00000
     42     -12.6100      1.00000
     43     -12.1982      1.00000
     44     -11.5759      1.00000
     45     -11.5420      1.00000
     46     -11.3101      1.00000
     47     -11.2871      1.00000
     48     -11.1428      1.00000
     49     -10.6770      1.00000
     50     -10.6611      1.00000
     51     -10.5527      1.00000
     52     -10.3240      1.00000
     53     -10.3175      1.00000
     54     -10.1679      1.00000
     55     -10.1161      1.00000
     56     -10.1131      1.00000
     57      -9.7972      1.00000
     58      -9.7658      1.00000
     59      -9.7514      1.00000
     60      -9.6997      1.00000
     61      -9.6976      1.00000
     62      -9.6607      1.00000
     63      -9.3553      1.00000
     64      -9.3512      1.00000
     65      -9.3152      1.00000
     66      -9.0408      1.00000
     67      -8.9629      1.00000
     68      -8.9495      1.00000
     69      -8.7985      1.00000
     70      -8.5948      1.00000
     71      -8.5571      1.00000
     72      -8.3977      1.00000
     73      -8.3641      1.00000
     74      -8.3254      1.00000
     75      -8.3077      1.00000
     76      -8.2599      1.00000
     77      -8.2581      1.00000
     78      -8.2365      1.00000
     79      -7.9039      1.00000
     80      -7.6512      1.00000
     81      -7.5503      1.00000
     82      -7.3876      1.00000
     83      -7.3504      1.00000
     84      -7.2324      1.00000
     85      -7.0954      1.00000
     86      -7.0383      1.00000
     87      -6.9332      1.00000
     88      -6.8477      1.00000
     89      -6.6135      1.00000
     90      -6.5605      1.00000
     91      -6.2709      1.00000
     92      -6.0440      1.00000
     93      -5.9515      1.00000
     94      -5.6631      1.00000
     95      -5.6224      1.00000
     96      -5.4640      1.00000
     97      -5.3206      1.00000
     98      -5.2790      1.00000
     99      -5.2144      1.00000
    100      -5.1937      1.00000
    101      -4.5100      1.00000
    102      -4.2090      1.00000
    103      -4.0605      1.00000
    104      -3.9900      1.00000
    105      -3.6950      1.00000
    106      -3.4994      1.00000
    107      -1.9483      0.00000
    108      -1.8976      0.00000
    109      -1.3413      0.00000
    110      -1.0865      0.00000
    111      -1.0596      0.00000
    112      -0.8022      0.00000
    113      -0.6790      0.00000
    114      -0.6488      0.00000
    115      -0.6094      0.00000
    116      -0.1080      0.00000
    117       0.2129      0.00000
    118       0.3290      0.00000
    119       0.6936      0.00000
    120       0.8879      0.00000
    121       1.1251      0.00000
    122       1.1964      0.00000
    123       1.3253      0.00000
    124       1.4187      0.00000
    125       1.5506      0.00000
    126       1.5729      0.00000
    127       1.6738      0.00000
    128       1.8053      0.00000
    129       1.8739      0.00000
    130       2.0484      0.00000
    131       2.1154      0.00000
    132       2.3217      0.00000
    133       2.3558      0.00000
    134       2.3905      0.00000
    135       2.5381      0.00000
    136       2.6253      0.00000
    137       2.7237      0.00000
    138       2.7478      0.00000
    139       2.8134      0.00000
    140       2.8689      0.00000
    141       3.0295      0.00000
    142       3.0503      0.00000
    143       3.1540      0.00000
    144       3.2563      0.00000
    145       3.3552      0.00000
    146       3.4080      0.00000
    147       3.4226      0.00000
    148       3.5520      0.00000
    149       3.5673      0.00000
    150       3.5868      0.00000
    151       3.6534      0.00000
    152       3.6691      0.00000
    153       3.7715      0.00000
    154       3.7883      0.00000
    155       3.7948      0.00000
    156       3.8874      0.00000
    157       3.9128      0.00000
    158       3.9903      0.00000
    159       4.2032      0.00000
    160       4.2197      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3159      1.00000
      2     -21.9613      1.00000
      3     -21.8919      1.00000
      4     -21.3795      1.00000
      5     -21.3500      1.00000
      6     -20.8385      1.00000
      7     -20.7730      1.00000
      8     -20.6229      1.00000
      9     -20.0763      1.00000
     10     -20.0706      1.00000
     11     -19.7158      1.00000
     12     -19.6911      1.00000
     13     -18.9955      1.00000
     14     -18.9896      1.00000
     15     -18.6396      1.00000
     16     -18.6235      1.00000
     17     -18.4616      1.00000
     18     -17.6754      1.00000
     19     -17.6246      1.00000
     20     -17.6219      1.00000
     21     -17.5800      1.00000
     22     -17.1261      1.00000
     23     -17.1045      1.00000
     24     -16.9614      1.00000
     25     -16.0013      1.00000
     26     -15.9285      1.00000
     27     -15.5850      1.00000
     28     -15.5847      1.00000
     29     -15.2872      1.00000
     30     -14.8637      1.00000
     31     -14.8363      1.00000
     32     -14.5794      1.00000
     33     -14.5375      1.00000
     34     -14.1682      1.00000
     35     -14.1546      1.00000
     36     -13.1483      1.00000
     37     -13.0999      1.00000
     38     -13.0301      1.00000
     39     -13.0201      1.00000
     40     -12.7095      1.00000
     41     -12.7054      1.00000
     42     -12.3405      1.00000
     43     -12.3092      1.00000
     44     -11.6363      1.00000
     45     -11.6225      1.00000
     46     -11.5715      1.00000
     47     -10.9492      1.00000
     48     -10.9160      1.00000
     49     -10.6330      1.00000
     50     -10.6255      1.00000
     51     -10.5472      1.00000
     52     -10.4991      1.00000
     53     -10.4988      1.00000
     54     -10.4405      1.00000
     55     -10.3611      1.00000
     56     -10.0983      1.00000
     57      -9.9020      1.00000
     58      -9.6095      1.00000
     59      -9.5571      1.00000
     60      -9.4520      1.00000
     61      -9.4119      1.00000
     62      -9.4051      1.00000
     63      -9.3776      1.00000
     64      -9.3775      1.00000
     65      -9.2862      1.00000
     66      -9.1693      1.00000
     67      -9.1439      1.00000
     68      -9.1151      1.00000
     69      -8.8647      1.00000
     70      -8.8571      1.00000
     71      -8.8147      1.00000
     72      -8.5960      1.00000
     73      -8.4792      1.00000
     74      -8.1992      1.00000
     75      -8.1637      1.00000
     76      -8.0080      1.00000
     77      -7.9647      1.00000
     78      -7.8519      1.00000
     79      -7.8417      1.00000
     80      -7.7055      1.00000
     81      -7.6984      1.00000
     82      -7.6210      1.00000
     83      -7.4490      1.00000
     84      -7.2994      1.00000
     85      -7.2539      1.00000
     86      -6.9073      1.00000
     87      -6.8935      1.00000
     88      -6.5882      1.00000
     89      -6.5509      1.00000
     90      -6.4082      1.00000
     91      -6.2528      1.00000
     92      -6.2322      1.00000
     93      -6.2064      1.00000
     94      -6.0232      1.00000
     95      -5.5507      1.00000
     96      -5.4894      1.00000
     97      -5.3511      1.00000
     98      -5.2202      1.00000
     99      -4.9795      1.00000
    100      -4.7335      1.00000
    101      -4.6787      1.00000
    102      -4.3884      1.00000
    103      -4.2044      1.00000
    104      -3.8725      1.00000
    105      -3.5468      1.00000
    106      -3.5116      1.00000
    107      -2.2577      0.00000
    108      -1.4593      0.00000
    109      -1.3725      0.00000
    110      -1.2435      0.00000
    111      -1.0999      0.00000
    112      -0.9468      0.00000
    113      -0.8655      0.00000
    114      -0.8051      0.00000
    115      -0.1390      0.00000
    116       0.1096      0.00000
    117       0.2389      0.00000
    118       0.3768      0.00000
    119       0.6509      0.00000
    120       0.8339      0.00000
    121       0.9341      0.00000
    122       1.0633      0.00000
    123       1.2316      0.00000
    124       1.4476      0.00000
    125       1.5438      0.00000
    126       1.7631      0.00000
    127       1.7887      0.00000
    128       1.8664      0.00000
    129       1.9629      0.00000
    130       2.0412      0.00000
    131       2.1701      0.00000
    132       2.1891      0.00000
    133       2.4046      0.00000
    134       2.4481      0.00000
    135       2.5241      0.00000
    136       2.6007      0.00000
    137       2.6352      0.00000
    138       2.6929      0.00000
    139       2.7578      0.00000
    140       2.8272      0.00000
    141       2.9420      0.00000
    142       3.0669      0.00000
    143       3.1936      0.00000
    144       3.1995      0.00000
    145       3.2463      0.00000
    146       3.2974      0.00000
    147       3.3168      0.00000
    148       3.4579      0.00000
    149       3.4918      0.00000
    150       3.6940      0.00000
    151       3.7067      0.00000
    152       3.7226      0.00000
    153       3.8533      0.00000
    154       3.9055      0.00000
    155       3.9275      0.00000
    156       3.9720      0.00000
    157       4.0019      0.00000
    158       4.0354      0.00000
    159       4.0418      0.00000
    160       4.0442      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2090      1.00000
      2     -22.1158      1.00000
      3     -21.9552      1.00000
      4     -21.4029      1.00000
      5     -21.0485      1.00000
      6     -21.0124      1.00000
      7     -20.4995      1.00000
      8     -20.4599      1.00000
      9     -20.2938      1.00000
     10     -20.2744      1.00000
     11     -19.9564      1.00000
     12     -19.8906      1.00000
     13     -18.8816      1.00000
     14     -18.8128      1.00000
     15     -18.3524      1.00000
     16     -18.3060      1.00000
     17     -18.1525      1.00000
     18     -18.1351      1.00000
     19     -17.8264      1.00000
     20     -17.7886      1.00000
     21     -17.2520      1.00000
     22     -17.2412      1.00000
     23     -17.1652      1.00000
     24     -17.1323      1.00000
     25     -16.1088      1.00000
     26     -15.8846      1.00000
     27     -15.8693      1.00000
     28     -15.8341      1.00000
     29     -15.2372      1.00000
     30     -14.5549      1.00000
     31     -14.5269      1.00000
     32     -14.2810      1.00000
     33     -13.9641      1.00000
     34     -13.9565      1.00000
     35     -13.8209      1.00000
     36     -13.8049      1.00000
     37     -13.6149      1.00000
     38     -13.5709      1.00000
     39     -13.3685      1.00000
     40     -12.6335      1.00000
     41     -12.1816      1.00000
     42     -12.1334      1.00000
     43     -12.0714      1.00000
     44     -12.0190      1.00000
     45     -11.6705      1.00000
     46     -11.6569      1.00000
     47     -11.1396      1.00000
     48     -11.1189      1.00000
     49     -10.7946      1.00000
     50     -10.7308      1.00000
     51     -10.5286      1.00000
     52     -10.2096      1.00000
     53     -10.2056      1.00000
     54     -10.1630      1.00000
     55     -10.0182      1.00000
     56     -10.0033      1.00000
     57      -9.9904      1.00000
     58      -9.8016      1.00000
     59      -9.7981      1.00000
     60      -9.7633      1.00000
     61      -9.7586      1.00000
     62      -9.4545      1.00000
     63      -9.4166      1.00000
     64      -9.0802      1.00000
     65      -9.0733      1.00000
     66      -9.0411      1.00000
     67      -8.9564      1.00000
     68      -8.8762      1.00000
     69      -8.7130      1.00000
     70      -8.7007      1.00000
     71      -8.5662      1.00000
     72      -8.5433      1.00000
     73      -8.4991      1.00000
     74      -8.4635      1.00000
     75      -8.4537      1.00000
     76      -8.2598      1.00000
     77      -8.1249      1.00000
     78      -8.0426      1.00000
     79      -7.9166      1.00000
     80      -7.8630      1.00000
     81      -7.6145      1.00000
     82      -7.5491      1.00000
     83      -7.4893      1.00000
     84      -7.2691      1.00000
     85      -6.9971      1.00000
     86      -6.9247      1.00000
     87      -6.8834      1.00000
     88      -6.5337      1.00000
     89      -6.4882      1.00000
     90      -6.4610      1.00000
     91      -6.4097      1.00000
     92      -5.9841      1.00000
     93      -5.8976      1.00000
     94      -5.7848      1.00000
     95      -5.7593      1.00000
     96      -5.4328      1.00000
     97      -5.3297      1.00000
     98      -5.2306      1.00000
     99      -5.2183      1.00000
    100      -5.1883      1.00000
    101      -4.6929      1.00000
    102      -4.4226      1.00000
    103      -4.2109      1.00000
    104      -3.8357      1.00000
    105      -3.5308      1.00000
    106      -3.2748      1.00000
    107      -2.5325      0.00000
    108      -1.4605      0.00000
    109      -1.2681      0.00000
    110      -1.2043      0.00000
    111      -1.1741      0.00000
    112      -0.7216      0.00000
    113      -0.5057      0.00000
    114      -0.4138      0.00000
    115      -0.3414      0.00000
    116      -0.1476      0.00000
    117      -0.0052      0.00000
    118       0.1943      0.00000
    119       0.5603      0.00000
    120       0.6101      0.00000
    121       0.7955      0.00000
    122       0.9068      0.00000
    123       1.1317      0.00000
    124       1.4898      0.00000
    125       1.6333      0.00000
    126       1.8440      0.00000
    127       1.9218      0.00000
    128       2.0986      0.00000
    129       2.1110      0.00000
    130       2.1381      0.00000
    131       2.1835      0.00000
    132       2.2764      0.00000
    133       2.3309      0.00000
    134       2.4687      0.00000
    135       2.5783      0.00000
    136       2.6512      0.00000
    137       2.8481      0.00000
    138       2.8670      0.00000
    139       2.8884      0.00000
    140       2.9863      0.00000
    141       3.0064      0.00000
    142       3.1359      0.00000
    143       3.1707      0.00000
    144       3.2159      0.00000
    145       3.2640      0.00000
    146       3.2801      0.00000
    147       3.2964      0.00000
    148       3.3428      0.00000
    149       3.4179      0.00000
    150       3.4393      0.00000
    151       3.5458      0.00000
    152       3.6146      0.00000
    153       3.6966      0.00000
    154       3.7209      0.00000
    155       3.7671      0.00000
    156       3.8921      0.00000
    157       3.9230      0.00000
    158       3.9960      0.00000
    159       4.1217      0.00000
    160       4.2124      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3157      1.00000
      2     -21.9628      1.00000
      3     -21.8905      1.00000
      4     -21.3832      1.00000
      5     -21.3467      1.00000
      6     -20.8381      1.00000
      7     -20.7716      1.00000
      8     -20.6236      1.00000
      9     -20.0885      1.00000
     10     -20.0596      1.00000
     11     -19.7173      1.00000
     12     -19.6885      1.00000
     13     -19.0090      1.00000
     14     -18.9778      1.00000
     15     -18.6492      1.00000
     16     -18.6163      1.00000
     17     -18.4597      1.00000
     18     -17.6601      1.00000
     19     -17.6461      1.00000
     20     -17.6100      1.00000
     21     -17.5773      1.00000
     22     -17.1371      1.00000
     23     -17.0969      1.00000
     24     -16.9661      1.00000
     25     -16.0087      1.00000
     26     -15.9219      1.00000
     27     -15.5983      1.00000
     28     -15.5747      1.00000
     29     -15.2794      1.00000
     30     -14.8766      1.00000
     31     -14.8294      1.00000
     32     -14.5746      1.00000
     33     -14.5368      1.00000
     34     -14.1639      1.00000
     35     -14.1597      1.00000
     36     -13.1628      1.00000
     37     -13.0951      1.00000
     38     -13.0230      1.00000
     39     -13.0185      1.00000
     40     -12.7181      1.00000
     41     -12.6947      1.00000
     42     -12.3401      1.00000
     43     -12.3129      1.00000
     44     -11.6323      1.00000
     45     -11.6229      1.00000
     46     -11.5694      1.00000
     47     -10.9407      1.00000
     48     -10.9228      1.00000
     49     -10.6697      1.00000
     50     -10.5903      1.00000
     51     -10.5731      1.00000
     52     -10.5010      1.00000
     53     -10.4889      1.00000
     54     -10.4399      1.00000
     55     -10.3559      1.00000
     56     -10.1026      1.00000
     57      -9.8962      1.00000
     58      -9.6086      1.00000
     59      -9.5513      1.00000
     60      -9.4538      1.00000
     61      -9.4188      1.00000
     62      -9.4093      1.00000
     63      -9.3792      1.00000
     64      -9.3722      1.00000
     65      -9.2664      1.00000
     66      -9.1663      1.00000
     67      -9.1423      1.00000
     68      -9.1159      1.00000
     69      -8.8665      1.00000
     70      -8.8606      1.00000
     71      -8.8017      1.00000
     72      -8.5954      1.00000
     73      -8.5262      1.00000
     74      -8.1939      1.00000
     75      -8.1710      1.00000
     76      -8.0752      1.00000
     77      -7.8583      1.00000
     78      -7.8374      1.00000
     79      -7.8241      1.00000
     80      -7.7116      1.00000
     81      -7.6972      1.00000
     82      -7.5964      1.00000
     83      -7.5306      1.00000
     84      -7.3496      1.00000
     85      -7.1679      1.00000
     86      -6.9064      1.00000
     87      -6.8969      1.00000
     88      -6.5923      1.00000
     89      -6.5508      1.00000
     90      -6.4074      1.00000
     91      -6.3022      1.00000
     92      -6.2474      1.00000
     93      -6.2025      1.00000
     94      -6.0038      1.00000
     95      -5.5324      1.00000
     96      -5.4650      1.00000
     97      -5.3144      1.00000
     98      -5.2095      1.00000
     99      -5.0479      1.00000
    100      -4.7245      1.00000
    101      -4.6721      1.00000
    102      -4.4251      1.00000
    103      -4.1960      1.00000
    104      -3.8444      1.00000
    105      -3.6359      1.00000
    106      -3.4172      1.00000
    107      -2.2940      0.00000
    108      -1.5116      0.00000
    109      -1.2717      0.00000
    110      -1.2640      0.00000
    111      -1.0361      0.00000
    112      -0.9791      0.00000
    113      -0.8698      0.00000
    114      -0.8017      0.00000
    115      -0.2617      0.00000
    116       0.2020      0.00000
    117       0.2371      0.00000
    118       0.3596      0.00000
    119       0.6900      0.00000
    120       0.8916      0.00000
    121       0.9219      0.00000
    122       1.0403      0.00000
    123       1.1668      0.00000
    124       1.5083      0.00000
    125       1.5534      0.00000
    126       1.7058      0.00000
    127       1.7756      0.00000
    128       1.8288      0.00000
    129       1.9584      0.00000
    130       1.9778      0.00000
    131       2.1802      0.00000
    132       2.2540      0.00000
    133       2.4092      0.00000
    134       2.4524      0.00000
    135       2.5251      0.00000
    136       2.5964      0.00000
    137       2.6148      0.00000
    138       2.6958      0.00000
    139       2.7390      0.00000
    140       2.8554      0.00000
    141       3.0314      0.00000
    142       3.0657      0.00000
    143       3.1798      0.00000
    144       3.2323      0.00000
    145       3.2488      0.00000
    146       3.2853      0.00000
    147       3.3293      0.00000
    148       3.4438      0.00000
    149       3.5131      0.00000
    150       3.6884      0.00000
    151       3.7125      0.00000
    152       3.7428      0.00000
    153       3.8252      0.00000
    154       3.8802      0.00000
    155       3.9174      0.00000
    156       3.9684      0.00000
    157       3.9998      0.00000
    158       4.0272      0.00000
    159       4.0325      0.00000
    160       4.0866      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3878      1.00000
      2     -21.8292      1.00000
      3     -21.6399      1.00000
      4     -21.6048      1.00000
      5     -21.2774      1.00000
      6     -21.2302      1.00000
      7     -21.0549      1.00000
      8     -20.1702      1.00000
      9     -20.1240      1.00000
     10     -19.6159      1.00000
     11     -19.5899      1.00000
     12     -19.4144      1.00000
     13     -19.0937      1.00000
     14     -19.0549      1.00000
     15     -19.0506      1.00000
     16     -19.0377      1.00000
     17     -18.3660      1.00000
     18     -18.3464      1.00000
     19     -18.0156      1.00000
     20     -17.0719      1.00000
     21     -17.0228      1.00000
     22     -16.9495      1.00000
     23     -16.9358      1.00000
     24     -16.4753      1.00000
     25     -16.4631      1.00000
     26     -15.6087      1.00000
     27     -15.6082      1.00000
     28     -15.2490      1.00000
     29     -15.2371      1.00000
     30     -15.1909      1.00000
     31     -15.1008      1.00000
     32     -15.0680      1.00000
     33     -14.6979      1.00000
     34     -14.6971      1.00000
     35     -13.7249      1.00000
     36     -13.7248      1.00000
     37     -13.2349      1.00000
     38     -12.6247      1.00000
     39     -12.5806      1.00000
     40     -12.4538      1.00000
     41     -12.4485      1.00000
     42     -12.1052      1.00000
     43     -12.1005      1.00000
     44     -11.7216      1.00000
     45     -11.6828      1.00000
     46     -11.2463      1.00000
     47     -11.2257      1.00000
     48     -11.0171      1.00000
     49     -11.0054      1.00000
     50     -10.9275      1.00000
     51     -10.8987      1.00000
     52     -10.6363      1.00000
     53     -10.1724      1.00000
     54     -10.1493      1.00000
     55     -10.0850      1.00000
     56      -9.9914      1.00000
     57      -9.6961      1.00000
     58      -9.6893      1.00000
     59      -9.6692      1.00000
     60      -9.5922      1.00000
     61      -9.5683      1.00000
     62      -9.5527      1.00000
     63      -9.3124      1.00000
     64      -9.2999      1.00000
     65      -9.2824      1.00000
     66      -9.2439      1.00000
     67      -9.1211      1.00000
     68      -9.1125      1.00000
     69      -9.1105      1.00000
     70      -8.9383      1.00000
     71      -8.8762      1.00000
     72      -8.6063      1.00000
     73      -8.5874      1.00000
     74      -8.2710      1.00000
     75      -8.1022      1.00000
     76      -7.8689      1.00000
     77      -7.8427      1.00000
     78      -7.7906      1.00000
     79      -7.7650      1.00000
     80      -7.7562      1.00000
     81      -7.4485      1.00000
     82      -7.3353      1.00000
     83      -7.3240      1.00000
     84      -7.2659      1.00000
     85      -7.1615      1.00000
     86      -7.0165      1.00000
     87      -6.9858      1.00000
     88      -6.7176      1.00000
     89      -6.6899      1.00000
     90      -6.6311      1.00000
     91      -6.5900      1.00000
     92      -6.1188      1.00000
     93      -6.0599      1.00000
     94      -6.0446      1.00000
     95      -6.0297      1.00000
     96      -5.7475      1.00000
     97      -4.9761      1.00000
     98      -4.8405      1.00000
     99      -4.7092      1.00000
    100      -4.6736      1.00000
    101      -4.4849      1.00000
    102      -4.3539      1.00000
    103      -4.1129      1.00000
    104      -4.0565      1.00000
    105      -3.7560      1.00000
    106      -3.4667      1.00000
    107      -1.9527      0.00000
    108      -1.7726      0.00000
    109      -1.4814      0.00000
    110      -1.3573      0.00000
    111      -1.3374      0.00000
    112      -1.2943      0.00000
    113      -0.6799      0.00000
    114      -0.4731      0.00000
    115      -0.2376      0.00000
    116       0.0520      0.00000
    117       0.5867      0.00000
    118       0.6898      0.00000
    119       0.7682      0.00000
    120       1.0211      0.00000
    121       1.0940      0.00000
    122       1.1752      0.00000
    123       1.2506      0.00000
    124       1.3325      0.00000
    125       1.4303      0.00000
    126       1.5919      0.00000
    127       1.7571      0.00000
    128       1.8399      0.00000
    129       1.8562      0.00000
    130       1.8852      0.00000
    131       2.0446      0.00000
    132       2.2139      0.00000
    133       2.2273      0.00000
    134       2.2776      0.00000
    135       2.4736      0.00000
    136       2.6032      0.00000
    137       2.6339      0.00000
    138       2.7440      0.00000
    139       2.7725      0.00000
    140       2.8320      0.00000
    141       2.8413      0.00000
    142       2.8618      0.00000
    143       2.9424      0.00000
    144       3.0738      0.00000
    145       3.3057      0.00000
    146       3.3493      0.00000
    147       3.3938      0.00000
    148       3.4079      0.00000
    149       3.4120      0.00000
    150       3.5735      0.00000
    151       3.6352      0.00000
    152       3.6568      0.00000
    153       3.7193      0.00000
    154       3.8860      0.00000
    155       3.9149      0.00000
    156       3.9469      0.00000
    157       4.1042      0.00000
    158       4.1952      0.00000
    159       4.2303      0.00000
    160       4.2734      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2081      1.00000
      2     -22.1171      1.00000
      3     -21.9549      1.00000
      4     -21.4031      1.00000
      5     -21.0447      1.00000
      6     -21.0161      1.00000
      7     -20.4948      1.00000
      8     -20.4646      1.00000
      9     -20.2847      1.00000
     10     -20.2827      1.00000
     11     -19.9556      1.00000
     12     -19.8923      1.00000
     13     -18.8827      1.00000
     14     -18.8149      1.00000
     15     -18.3367      1.00000
     16     -18.3176      1.00000
     17     -18.1483      1.00000
     18     -18.1408      1.00000
     19     -17.8149      1.00000
     20     -17.7968      1.00000
     21     -17.2582      1.00000
     22     -17.2384      1.00000
     23     -17.1595      1.00000
     24     -17.1353      1.00000
     25     -16.1153      1.00000
     26     -15.8795      1.00000
     27     -15.8684      1.00000
     28     -15.8410      1.00000
     29     -15.2306      1.00000
     30     -14.5509      1.00000
     31     -14.5323      1.00000
     32     -14.2756      1.00000
     33     -13.9747      1.00000
     34     -13.9510      1.00000
     35     -13.8252      1.00000
     36     -13.8028      1.00000
     37     -13.6040      1.00000
     38     -13.5785      1.00000
     39     -13.3686      1.00000
     40     -12.6377      1.00000
     41     -12.1692      1.00000
     42     -12.1427      1.00000
     43     -12.0673      1.00000
     44     -12.0204      1.00000
     45     -11.6650      1.00000
     46     -11.6602      1.00000
     47     -11.1376      1.00000
     48     -11.1265      1.00000
     49     -10.7907      1.00000
     50     -10.7344      1.00000
     51     -10.5355      1.00000
     52     -10.2080      1.00000
     53     -10.2018      1.00000
     54     -10.1687      1.00000
     55     -10.0225      1.00000
     56      -9.9928      1.00000
     57      -9.9900      1.00000
     58      -9.8050      1.00000
     59      -9.7957      1.00000
     60      -9.7655      1.00000
     61      -9.7579      1.00000
     62      -9.4551      1.00000
     63      -9.4165      1.00000
     64      -9.0848      1.00000
     65      -9.0461      1.00000
     66      -9.0248      1.00000
     67      -8.9708      1.00000
     68      -8.8969      1.00000
     69      -8.7083      1.00000
     70      -8.6990      1.00000
     71      -8.5612      1.00000
     72      -8.5501      1.00000
     73      -8.4775      1.00000
     74      -8.4599      1.00000
     75      -8.4567      1.00000
     76      -8.3081      1.00000
     77      -8.0944      1.00000
     78      -8.0881      1.00000
     79      -7.9271      1.00000
     80      -7.8312      1.00000
     81      -7.6004      1.00000
     82      -7.5385      1.00000
     83      -7.4418      1.00000
     84      -7.3165      1.00000
     85      -6.9949      1.00000
     86      -6.9202      1.00000
     87      -6.8831      1.00000
     88      -6.5294      1.00000
     89      -6.5152      1.00000
     90      -6.4818      1.00000
     91      -6.4204      1.00000
     92      -5.9270      1.00000
     93      -5.9051      1.00000
     94      -5.7887      1.00000
     95      -5.7749      1.00000
     96      -5.3697      1.00000
     97      -5.3634      1.00000
     98      -5.2202      1.00000
     99      -5.2157      1.00000
    100      -5.1991      1.00000
    101      -4.7215      1.00000
    102      -4.4437      1.00000
    103      -4.1921      1.00000
    104      -3.8219      1.00000
    105      -3.5673      1.00000
    106      -3.2223      1.00000
    107      -2.5638      0.00000
    108      -1.4656      0.00000
    109      -1.2683      0.00000
    110      -1.1868      0.00000
    111      -1.1853      0.00000
    112      -0.6466      0.00000
    113      -0.5534      0.00000
    114      -0.4168      0.00000
    115      -0.3497      0.00000
    116      -0.0791      0.00000
    117      -0.0653      0.00000
    118       0.1260      0.00000
    119       0.5905      0.00000
    120       0.6249      0.00000
    121       0.8551      0.00000
    122       0.9841      0.00000
    123       1.0038      0.00000
    124       1.4939      0.00000
    125       1.6815      0.00000
    126       1.7553      0.00000
    127       1.8535      0.00000
    128       2.1042      0.00000
    129       2.1342      0.00000
    130       2.1864      0.00000
    131       2.2067      0.00000
    132       2.2519      0.00000
    133       2.3447      0.00000
    134       2.4919      0.00000
    135       2.5118      0.00000
    136       2.6571      0.00000
    137       2.8491      0.00000
    138       2.8556      0.00000
    139       2.9474      0.00000
    140       2.9745      0.00000
    141       3.0193      0.00000
    142       3.1320      0.00000
    143       3.1841      0.00000
    144       3.2274      0.00000
    145       3.2394      0.00000
    146       3.2744      0.00000
    147       3.2996      0.00000
    148       3.3514      0.00000
    149       3.4148      0.00000
    150       3.5426      0.00000
    151       3.5598      0.00000
    152       3.6415      0.00000
    153       3.6548      0.00000
    154       3.6932      0.00000
    155       3.7172      0.00000
    156       3.8939      0.00000
    157       3.9423      0.00000
    158       4.0262      0.00000
    159       4.0668      0.00000
    160       4.1742      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2815      1.00000
      2     -22.0769      1.00000
      3     -21.7187      1.00000
      4     -21.6794      1.00000
      5     -20.9814      1.00000
      6     -20.9335      1.00000
      7     -20.6100      1.00000
      8     -20.5776      1.00000
      9     -20.5641      1.00000
     10     -20.0308      1.00000
     11     -19.5124      1.00000
     12     -19.4824      1.00000
     13     -19.3103      1.00000
     14     -19.2975      1.00000
     15     -18.4487      1.00000
     16     -18.4054      1.00000
     17     -17.9270      1.00000
     18     -17.9067      1.00000
     19     -17.7651      1.00000
     20     -17.7201      1.00000
     21     -17.4412      1.00000
     22     -17.4228      1.00000
     23     -17.3374      1.00000
     24     -16.4713      1.00000
     25     -16.4608      1.00000
     26     -15.9694      1.00000
     27     -15.4103      1.00000
     28     -15.4095      1.00000
     29     -15.0956      1.00000
     30     -15.0924      1.00000
     31     -14.8526      1.00000
     32     -14.8406      1.00000
     33     -14.2976      1.00000
     34     -14.2539      1.00000
     35     -13.4444      1.00000
     36     -13.4006      1.00000
     37     -13.1750      1.00000
     38     -13.1739      1.00000
     39     -12.9842      1.00000
     40     -12.9754      1.00000
     41     -12.6107      1.00000
     42     -12.6089      1.00000
     43     -12.1966      1.00000
     44     -11.5795      1.00000
     45     -11.5382      1.00000
     46     -11.3132      1.00000
     47     -11.2828      1.00000
     48     -11.1421      1.00000
     49     -10.6934      1.00000
     50     -10.6642      1.00000
     51     -10.5467      1.00000
     52     -10.3218      1.00000
     53     -10.3142      1.00000
     54     -10.1743      1.00000
     55     -10.1225      1.00000
     56     -10.1088      1.00000
     57      -9.8106      1.00000
     58      -9.7520      1.00000
     59      -9.7519      1.00000
     60      -9.7019      1.00000
     61      -9.6981      1.00000
     62      -9.6453      1.00000
     63      -9.3526      1.00000
     64      -9.3511      1.00000
     65      -9.3188      1.00000
     66      -9.0273      1.00000
     67      -8.9615      1.00000
     68      -8.9576      1.00000
     69      -8.7742      1.00000
     70      -8.5927      1.00000
     71      -8.5880      1.00000
     72      -8.4228      1.00000
     73      -8.3486      1.00000
     74      -8.3234      1.00000
     75      -8.3023      1.00000
     76      -8.2665      1.00000
     77      -8.2553      1.00000
     78      -8.2403      1.00000
     79      -7.9204      1.00000
     80      -7.7335      1.00000
     81      -7.3802      1.00000
     82      -7.3509      1.00000
     83      -7.3255      1.00000
     84      -7.2181      1.00000
     85      -7.1600      1.00000
     86      -7.0642      1.00000
     87      -6.9605      1.00000
     88      -6.9043      1.00000
     89      -6.6152      1.00000
     90      -6.5576      1.00000
     91      -6.2730      1.00000
     92      -5.9963      1.00000
     93      -5.9591      1.00000
     94      -5.6754      1.00000
     95      -5.6490      1.00000
     96      -5.3876      1.00000
     97      -5.3150      1.00000
     98      -5.2941      1.00000
     99      -5.2121      1.00000
    100      -5.2006      1.00000
    101      -4.5131      1.00000
    102      -4.3405      1.00000
    103      -3.9979      1.00000
    104      -3.8869      1.00000
    105      -3.7940      1.00000
    106      -3.4445      1.00000
    107      -2.0365      0.00000
    108      -1.8648      0.00000
    109      -1.2197      0.00000
    110      -1.1852      0.00000
    111      -1.0376      0.00000
    112      -0.7742      0.00000
    113      -0.6790      0.00000
    114      -0.6619      0.00000
    115      -0.6117      0.00000
    116      -0.1014      0.00000
    117       0.2200      0.00000
    118       0.2392      0.00000
    119       0.7688      0.00000
    120       0.9828      0.00000
    121       1.0729      0.00000
    122       1.2390      0.00000
    123       1.2496      0.00000
    124       1.3411      0.00000
    125       1.5735      0.00000
    126       1.5820      0.00000
    127       1.6943      0.00000
    128       1.7931      0.00000
    129       1.9426      0.00000
    130       1.9519      0.00000
    131       2.0774      0.00000
    132       2.2877      0.00000
    133       2.3376      0.00000
    134       2.4122      0.00000
    135       2.5351      0.00000
    136       2.6227      0.00000
    137       2.7571      0.00000
    138       2.8155      0.00000
    139       2.8393      0.00000
    140       2.8545      0.00000
    141       3.0263      0.00000
    142       3.0957      0.00000
    143       3.1454      0.00000
    144       3.2097      0.00000
    145       3.3699      0.00000
    146       3.4083      0.00000
    147       3.4899      0.00000
    148       3.5250      0.00000
    149       3.5861      0.00000
    150       3.5964      0.00000
    151       3.6352      0.00000
    152       3.7288      0.00000
    153       3.7380      0.00000
    154       3.7649      0.00000
    155       3.8056      0.00000
    156       3.8699      0.00000
    157       4.0178      0.00000
    158       4.0793      0.00000
    159       4.1585      0.00000
    160       4.2005      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0440   -7.3898    4.1987   -1.2764   -0.2389   17.5991    0.1473   -0.5324    0.6339   -0.4650
x    -3.0911   -0.0374   -0.0632    0.0617   -0.0091   -2.9779   -0.0111   -0.0070    0.0049    0.0016
x    -0.0966    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0440    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0941   -0.0088    0.0375    0.0376
y    -0.0459   -3.2464   -0.5382   -0.1636   -1.1806   -0.6055
z   204.0440    1.1257   -0.2801    0.0409    0.0091    0.0617    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0775    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1355
z    -0.2841    0.1863   -0.0386    0.0473   -0.1051    0.0013
 total charge-density along one line
x   212.0000  -10.2200    6.1467   -2.0863   -0.4746   19.5157   -0.9960    0.4745   -0.0450   -0.1260
x    -2.6443   -0.0277   -0.0611    0.0846   -0.0533   -2.2248   -0.0251   -0.0026    0.0052    0.0021
x    -0.0897    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2200    6.1467   -2.0863   -0.4746   19.5157   -0.9960    0.4745   -0.0450   -0.1260
y    -2.6443   -0.0277   -0.0611    0.0846   -0.0533   -2.2248   -0.0251   -0.0026    0.0052    0.0021
y    -0.0897    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4936  189.2929 -170.3601  153.6255 -139.3929  125.3757 -110.0569   93.9110  -78.3011
z    64.0979  -51.4525   40.3929  -31.1898   24.0931  -18.9106   15.0005  -11.6940    8.6967   -6.1071
z     4.1195   -2.7491    1.8134   -1.1048    0.5351   -0.1232   -0.1145    0.2303   -0.3108    0.4005
z    -0.4768    0.4936   -0.4407    0.3556   -0.2863    0.2510   -0.2331    0.2085   -0.1708    0.1317
z    -0.1036    0.0879   -0.0767    0.0636   -0.0491    0.0374   -0.0308    0.0276   -0.0243    0.0198
z    -0.0151    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.842   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.103   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.157   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.836  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.842   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.103   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.157   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.836  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.312   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.796   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.031   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.312   0.000   0.630   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.312   0.000   0.000   0.158   0.000  -0.192   0.000   0.000   0.000   0.010   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.415   0.000   0.077   0.585  -0.239   0.000   0.057   0.000   0.000
  0.000  -0.312   0.000   0.630   0.000   0.000  -0.192   0.000   0.379   0.000   0.000   0.000  -0.051   0.000   0.069   0.006
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.041   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.369  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.031   0.000   0.010   0.082   0.000  -0.239   0.000  -0.047  -0.420   0.176   0.000  -0.033   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.010   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.057   0.000   0.053   0.283  -0.033   0.000   0.264   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.645   0.262   8.029   8.936
  2        0.521   0.027   0.000   0.549
  3        0.521   0.027   0.000   0.549
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.647
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.864   1.783   0.000   2.646
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.783   0.000   2.647
 15        0.864   1.784   0.000   2.647
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.648
 19        0.864   1.782   0.000   2.646
 20        0.864   1.783   0.000   2.646
 21        0.864   1.781   0.000   2.645
 22        0.864   1.770   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.782   0.000   2.646
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.782   0.000   2.646
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.781   0.000   2.645
 33        0.864   1.781   0.000   2.645
 34        0.864   1.782   0.000   2.646
 35        0.864   1.781   0.000   2.645
 36        0.864   1.770   0.000   2.634
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.646
 39        0.864   1.783   0.000   2.647
 40        0.863   1.785   0.000   2.648
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.647
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.646
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.646
 48        0.864   1.784   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.647
------------------------------------------------
tot       44.864  89.409   8.029 142.301
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time   90.44: CPU time   45.59
    FORLOC:  VPU time    1.09: CPU time    1.09
    FORNL :  VPU time  383.93: CPU time  192.57
    STRESS:  VPU time 1307.08: CPU time  657.56
    FORCOR:  VPU time    8.66: CPU time    8.67
    FORHAR:  VPU time    2.28: CPU time    2.28
    MIXING:  VPU time    0.17: CPU time    0.17
 d Force = 0.3308447E-05[ 0.187E-05, 0.475E-05]  d Energy = 0.1404576E-04-0.107E-04
 d Force = 0.5415742E-01[ 0.542E-01, 0.542E-01]  d Ewald  =-0.1487464E+01 0.154E+01


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726313 eV

  energy  without entropy=     -471.726313  energy(sigma->0) =     -471.726313
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40818.10  40772.64 -47515.61    -39.37      0.00      0.00
  Hartree  40243.38  40224.27 -39501.95    -16.55      0.00      0.00
  E(xc)     -779.38   -779.67   -807.31     -0.25      0.00      0.00
  Local   -83345.68 -83290.12  84332.50     48.12      0.00      0.00
  n-local   -216.72   -215.59   -203.30      0.71      0.00      0.00
  augment     20.07     22.06     17.82      1.73      0.00      0.00
  Kinetic   3162.00   3175.60   3583.76      3.43      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.57     -0.60     -0.15     -0.03      0.00      0.00
  in kB       -0.35     -0.37     -0.09     -0.02      0.00      0.00
  external pressure =       -0.27 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.347176420  0.001082958  0.000000000     0.080986076  0.046747930  0.000000000
    -6.172656984 10.693506001  0.000000000    -0.000008202  0.093509965  0.000000000
     0.000000000  0.000000000 19.979067272     0.000000000  0.000000000  0.050052387

  length of vectors
    12.347176468 12.347176392 19.979067272     0.093509965  0.093509966  0.050052387


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.475E-05 -.490E-04 -.951E+03   0.451E-05 -.279E-04 0.960E+03   -.678E-20 -.169E-20 -.869E+01   0.388E-08 -.208E-08 -.309E-02
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.155E+01 -.892E+00 -.253E+01   0.156E-03 -.906E-04 -.647E-04
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.155E+01 0.892E+00 -.253E+01   -.156E-03 0.906E-04 -.647E-04
   -.204E+01 0.118E+01 0.163E+02   0.204E+01 -.118E+01 -.163E+02   -.203E-02 0.117E-02 -.234E-01   -.890E-03 0.511E-03 0.816E-05
   0.617E+01 0.686E+01 0.194E+02   -.617E+01 -.688E+01 -.193E+02   0.132E-02 0.197E-01 -.276E-01   -.622E-03 0.317E-03 0.432E-04
   0.112E+02 0.509E+01 0.161E+02   -.112E+02 -.509E+01 -.161E+02   0.215E-01 0.763E-02 -.489E-01   -.637E-03 0.582E-03 0.121E-03
   0.473E+01 -.891E+00 0.125E+02   -.475E+01 0.899E+00 -.125E+02   0.157E-01 -.813E-02 -.191E-01   -.767E-03 0.393E-03 0.145E-03
   -.308E+01 -.254E+01 0.126E+02   0.308E+01 0.254E+01 -.126E+02   -.631E-03 0.225E-02 -.126E-01   -.795E-03 0.436E-03 0.701E-04
   0.656E+00 0.394E+01 0.126E+02   -.656E+00 -.393E+01 -.126E+02   -.226E-02 -.578E-03 -.126E-01   -.780E-03 0.464E-03 0.669E-04
   0.241E+01 0.188E+02 0.240E+02   -.241E+01 -.190E+02 -.240E+02   -.113E-02 0.104E+00 -.474E-01   -.618E-03 0.783E-03 0.128E-03
   0.227E+02 0.214E+02 0.422E+02   -.228E+02 -.216E+02 -.422E+02   0.772E-01 0.263E+00 -.608E-01   -.753E-03 0.660E-03 0.379E-03
   0.268E+02 -.344E+01 0.257E+02   -.271E+02 0.355E+01 -.256E+02   0.270E+00 -.109E+00 -.331E-01   -.568E-03 0.260E-03 0.176E-03
   0.915E+01 -.528E+01 0.136E+02   -.919E+01 0.531E+01 -.136E+02   0.422E-01 -.244E-01 -.121E-01   -.715E-03 0.407E-03 0.587E-04
   0.314E+01 -.365E+01 0.125E+02   -.315E+01 0.366E+01 -.125E+02   0.149E-01 -.955E-02 -.191E-01   -.726E-03 0.464E-03 0.138E-03
   -.591E+01 0.136E+02 0.162E+02   0.591E+01 -.137E+02 -.161E+02   -.134E-02 0.714E-01 -.506E-01   -.925E-03 0.423E-03 0.123E-03
   -.119E+02 0.363E+02 0.478E+02   0.119E+02 -.369E+02 -.481E+02   -.298E-01 0.613E+00 0.295E+00   -.107E-02 0.626E-03 0.530E-03
   0.237E+02 -.137E+02 0.942E+02   -.244E+02 0.141E+02 -.962E+02   0.641E+00 -.370E+00 0.206E+01   -.201E-03 0.113E-03 0.107E-02
   0.164E+02 -.215E+02 0.257E+02   -.166E+02 0.217E+02 -.256E+02   0.230E+00 -.179E+00 -.331E-01   -.512E-03 0.354E-03 0.172E-03
   0.120E+01 -.122E+02 0.161E+02   -.120E+01 0.123E+02 -.161E+02   0.413E-02 -.224E-01 -.489E-01   -.819E-03 0.259E-03 0.116E-03
   -.414E+01 0.192E+01 0.116E+02   0.414E+01 -.193E+01 -.116E+02   0.600E-03 0.893E-02 -.435E-01   -.784E-03 0.418E-03 0.953E-04
   -.193E+02 0.111E+02 0.218E+02   0.193E+02 -.112E+02 -.218E+02   -.492E-01 0.284E-01 -.419E-01   -.816E-03 0.475E-03 0.966E-04
   -.374E+02 -.788E+01 0.478E+02   0.379E+02 0.816E+01 -.481E+02   -.546E+00 -.281E+00 0.295E+00   -.107E-02 0.614E-03 0.533E-03
   -.716E+01 -.304E+02 0.422E+02   0.735E+01 0.306E+02 -.422E+02   -.189E+00 -.198E+00 -.608E-01   -.945E-03 0.317E-03 0.377E-03
   -.286E+01 -.877E+01 0.194E+02   0.288E+01 0.879E+01 -.193E+02   -.164E-01 -.110E-01 -.276E-01   -.583E-03 0.378E-03 0.425E-04
   0.140E+01 -.807E+00 0.134E+02   -.140E+01 0.809E+00 -.134E+02   0.292E-03 -.169E-03 -.180E-01   -.832E-03 0.482E-03 0.478E-04
   -.373E+01 0.263E+01 0.116E+02   0.374E+01 -.262E+01 -.116E+02   -.743E-02 -.498E-02 -.435E-01   -.752E-03 0.475E-03 0.996E-04
   -.148E+02 -.170E+01 0.162E+02   0.148E+02 0.173E+01 -.161E+02   -.625E-01 -.345E-01 -.506E-01   -.827E-03 0.588E-03 0.130E-03
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.909E-01 -.512E-01 -.474E-01   -.985E-03 0.138E-03 0.131E-03
   0.286E+01 0.877E+01 0.194E+02   -.288E+01 -.879E+01 -.193E+02   0.164E-01 0.110E-01 -.276E-01   0.583E-03 -.378E-03 0.425E-04
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.909E-01 0.512E-01 -.474E-01   0.985E-03 -.138E-03 0.131E-03
   0.148E+02 0.170E+01 0.162E+02   -.148E+02 -.173E+01 -.161E+02   0.625E-01 0.345E-01 -.506E-01   0.827E-03 -.588E-03 0.130E-03
   0.373E+01 -.263E+01 0.116E+02   -.374E+01 0.262E+01 -.116E+02   0.743E-02 0.498E-02 -.435E-01   0.752E-03 -.475E-03 0.996E-04
   -.140E+01 0.807E+00 0.134E+02   0.140E+01 -.809E+00 -.134E+02   -.292E-03 0.169E-03 -.180E-01   0.832E-03 -.482E-03 0.478E-04
   -.120E+01 0.122E+02 0.161E+02   0.120E+01 -.123E+02 -.161E+02   -.413E-02 0.224E-01 -.489E-01   0.819E-03 -.259E-03 0.116E-03
   0.716E+01 0.304E+02 0.422E+02   -.735E+01 -.306E+02 -.422E+02   0.189E+00 0.198E+00 -.608E-01   0.945E-03 -.317E-03 0.377E-03
   0.374E+02 0.788E+01 0.478E+02   -.379E+02 -.816E+01 -.481E+02   0.546E+00 0.281E+00 0.295E+00   0.107E-02 -.614E-03 0.533E-03
   0.193E+02 -.111E+02 0.218E+02   -.193E+02 0.112E+02 -.218E+02   0.492E-01 -.284E-01 -.419E-01   0.816E-03 -.475E-03 0.966E-04
   0.414E+01 -.192E+01 0.116E+02   -.414E+01 0.193E+01 -.116E+02   -.600E-03 -.893E-02 -.435E-01   0.784E-03 -.418E-03 0.953E-04
   -.314E+01 0.365E+01 0.125E+02   0.315E+01 -.366E+01 -.125E+02   -.149E-01 0.955E-02 -.191E-01   0.726E-03 -.464E-03 0.138E-03
   -.164E+02 0.215E+02 0.257E+02   0.166E+02 -.217E+02 -.256E+02   -.230E+00 0.179E+00 -.331E-01   0.512E-03 -.354E-03 0.172E-03
   -.237E+02 0.137E+02 0.942E+02   0.244E+02 -.141E+02 -.962E+02   -.641E+00 0.370E+00 0.206E+01   0.201E-03 -.113E-03 0.107E-02
   0.119E+02 -.363E+02 0.478E+02   -.119E+02 0.369E+02 -.481E+02   0.298E-01 -.613E+00 0.295E+00   0.107E-02 -.626E-03 0.530E-03
   0.591E+01 -.136E+02 0.162E+02   -.591E+01 0.137E+02 -.161E+02   0.134E-02 -.714E-01 -.506E-01   0.925E-03 -.423E-03 0.123E-03
   -.656E+00 -.394E+01 0.126E+02   0.656E+00 0.393E+01 -.126E+02   0.226E-02 0.578E-03 -.126E-01   0.780E-03 -.464E-03 0.669E-04
   -.915E+01 0.528E+01 0.136E+02   0.919E+01 -.531E+01 -.136E+02   -.422E-01 0.244E-01 -.121E-01   0.715E-03 -.407E-03 0.587E-04
   -.268E+02 0.344E+01 0.257E+02   0.271E+02 -.355E+01 -.256E+02   -.270E+00 0.109E+00 -.331E-01   0.568E-03 -.260E-03 0.176E-03
   -.227E+02 -.214E+02 0.422E+02   0.228E+02 0.216E+02 -.422E+02   -.772E-01 -.263E+00 -.608E-01   0.753E-03 -.660E-03 0.379E-03
   -.241E+01 -.188E+02 0.240E+02   0.241E+01 0.190E+02 -.240E+02   0.113E-02 -.104E+00 -.474E-01   0.618E-03 -.783E-03 0.128E-03
   0.204E+01 -.118E+01 0.163E+02   -.204E+01 0.118E+01 -.163E+02   0.203E-02 -.117E-02 -.234E-01   0.890E-03 -.511E-03 0.817E-05
   0.308E+01 0.254E+01 0.126E+02   -.308E+01 -.254E+01 -.126E+02   0.631E-03 -.225E-02 -.126E-01   0.795E-03 -.436E-03 0.701E-04
   -.473E+01 0.891E+00 0.125E+02   0.475E+01 -.899E+00 -.125E+02   -.157E-01 0.813E-02 -.191E-01   0.767E-03 -.393E-03 0.145E-03
   -.112E+02 -.509E+01 0.161E+02   0.112E+02 0.509E+01 -.161E+02   -.215E-01 -.763E-02 -.489E-01   0.637E-03 -.582E-03 0.121E-03
   -.617E+01 -.686E+01 0.194E+02   0.617E+01 0.689E+01 -.193E+02   -.132E-02 -.197E-01 -.276E-01   0.622E-03 -.317E-03 0.432E-04
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.290E-03 0.100E+02   0.123E-12 -.444E-13 0.167E-12   -.607E-17 0.156E-15 -.100E+02   0.639E-08 0.356E-09 0.657E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85260      6.06012     12.25886         0.000000      0.000000      0.009912
      1.07534      6.50888     13.51793        -0.000689      0.000398      0.015962
      2.62987      5.61137     13.51793         0.000689     -0.000398      0.015962
      0.00013     -0.00008      9.90713        -0.001156      0.000667      0.000694
     -1.23489      2.13727      9.90585         0.000746     -0.003181     -0.000083
     -2.47028      4.27713      9.92588        -0.000652      0.001724     -0.000757
     -3.70406      6.41620      9.93371        -0.000691      0.000622     -0.002022
     -4.93787      8.55478      9.92410        -0.002432      0.001881      0.000009
      2.46958      0.00001      9.92410        -0.002845      0.001165      0.000009
      1.23416      2.13702      9.91542         0.000569      0.004264     -0.000277
     -0.00253      4.27150      9.92810        -0.005618      0.002805     -0.002260
     -1.23834      6.41685      9.95002         0.001511      0.000382     -0.000490
     -2.46899      8.55519      9.93533        -0.000553      0.000319      0.000628
      4.93856      0.00079      9.93371        -0.000885      0.000288     -0.002022
      3.70478      2.13722      9.93685        -0.001844     -0.000814     -0.000131
      2.47033      4.26933      9.96477        -0.000543      0.000035     -0.003680
      1.22942      6.41992      9.97095        -0.000187      0.000108     -0.003970
     -0.00181      8.55860      9.95002         0.000425     -0.001499     -0.000490
      7.40793      0.00184      9.92588        -0.001819     -0.000297     -0.000757
      6.17347      2.13945      9.93217        -0.001264      0.000480     -0.000235
      4.93979      4.27774      9.94477         0.001882     -0.001087      0.001221
      3.71234      6.42056      9.96477        -0.000302      0.000453     -0.003680
      2.47403      8.56102      9.92810        -0.005238      0.003463     -0.002260
      9.87881      0.00189      9.90585         0.003128      0.000945     -0.000083
      8.64309      2.13964      9.91700        -0.002724      0.001573      0.000360
      7.40845      4.27848      9.93217        -0.001048      0.000855     -0.000235
      6.17602      6.41754      9.93685        -0.000217      0.002004     -0.000131
      4.94088      8.55726      9.91542        -0.003408     -0.002625     -0.000277
     -0.00094      1.42485      9.90585        -0.003128     -0.000945     -0.000083
     -1.23568      3.56298      9.91542         0.003408      0.002625     -0.000277
     -2.47082      5.70270      9.93685         0.000217     -0.002004     -0.000131
     -3.70324      7.84176      9.93217         0.001048     -0.000855     -0.000235
     -4.93788      9.98061      9.91700         0.002724     -0.001573      0.000360
      2.46994      1.42490      9.92588         0.001819      0.000297     -0.000757
      1.23118      3.55922      9.92810         0.005238     -0.003463     -0.002260
     -0.00713      5.69969      9.96477         0.000302     -0.000453     -0.003680
     -1.23458      7.84251      9.94477        -0.001882      0.001087      0.001221
     -2.46827      9.98080      9.93217         0.001264     -0.000480     -0.000235
      4.93931      1.42595      9.93371         0.000885     -0.000288     -0.002022
      3.70702      3.56165      9.95002        -0.000425      0.001499     -0.000490
      2.47579      5.70033      9.97095         0.000187     -0.000108     -0.003970
      1.23488      7.85092      9.96477         0.000543     -0.000035     -0.003680
      0.00043      9.98302      9.93685         0.001844      0.000814     -0.000131
      7.40828      1.42673      9.92410         0.002845     -0.001165      0.000009
      6.17420      3.56505      9.93533         0.000553     -0.000319      0.000628
      4.94355      5.70339      9.95002        -0.001511     -0.000382     -0.000490
      3.70774      7.84874      9.92810         0.005618     -0.002805     -0.002260
      2.47105      9.98322      9.91542        -0.000569     -0.004264     -0.000277
      9.87773      1.42682      9.90713         0.001156     -0.000667      0.000694
      8.64308      3.56546      9.92410         0.002432     -0.001881      0.000009
      7.40927      5.70405      9.93371         0.000691     -0.000622     -0.002022
      6.17549      7.84311      9.92588         0.000652     -0.001724     -0.000757
      4.94010      9.98298      9.90585        -0.000746      0.003181     -0.000083
 -----------------------------------------------------------------------------------
    total drift:                               -0.001804      0.000290      0.009030


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.95: CPU time    1.95
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.31: CPU time    1.31
    ORTHCH:  VPU time  181.11: CPU time   91.07
     LOOP+:  VPU time 4396.73: CPU time 2245.39


----------------------------------------- Iteration   10(   1)  ---------------------------------------


    POTLOK:  VPU time    9.21: CPU time    9.06
    SETDIJ:  VPU time    0.33: CPU time    0.34
    EDDAV :  VPU time 1357.42: CPU time  700.58
 BZINTS: Fermi energy: -3.210568;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  111.53: CPU time   56.67
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1478.71: CPU time  766.84

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) :-0.4717263E+03  (-0.9312722E-05)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9561093 magnetization   -0.0000001

 Broyden mixing:
  rms(total) = 0.49040E-03    rms(broyden)= 0.49031E-03
  rms(prec ) = 0.53844E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34076.54948127
  -1/2 Hartree   DENC   =    -40966.97029825
  -V(xc)+E(xc)   XCENC  =       726.52590309
  PAW double counting   =      4092.53328492    -4130.87802731
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.92651799
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72632066 eV

  energy without entropy =     -471.72632066  energy(sigma->0) =     -471.72632066


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(   2)  ---------------------------------------


    POTLOK:  VPU time    9.07: CPU time    9.06
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 1425.29: CPU time  738.59
 BZINTS: Fermi energy: -3.210587;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1434.75: CPU time  748.01

 eigenvalue-minimisations  :  4368
 total energy-change (2. order) :-0.3279511E-06  (-0.6739042E-06)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9561093 magnetization   -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34076.54948127
  -1/2 Hartree   DENC   =    -40967.00979638
  -V(xc)+E(xc)   XCENC  =       726.52726315
  PAW double counting   =      4092.57676011    -4130.92168200
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.88820076
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72632099 eV

  energy without entropy =     -471.72632099  energy(sigma->0) =     -471.72632099


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2205       2 -39.5367       3 -39.5367       4 -58.3163       5 -58.3202
       6 -58.3227       7 -58.3173       8 -58.3176       9 -58.3176      10 -58.3241
      11 -58.3903      12 -58.3542      13 -58.3256      14 -58.3173      15 -58.3271
      16 -58.5456      17 -58.7326      18 -58.3542      19 -58.3227      20 -58.3224
      21 -58.3604      22 -58.5456      23 -58.3903      24 -58.3203      25 -58.3254
      26 -58.3224      27 -58.3271      28 -58.3241      29 -58.3201      30 -58.3240
      31 -58.3270      32 -58.3223      33 -58.3253      34 -58.3226      35 -58.3902
      36 -58.5455      37 -58.3603      38 -58.3223      39 -58.3171      40 -58.3540
      41 -58.7325      42 -58.5455      43 -58.3270      44 -58.3175      45 -58.3255
      46 -58.3541      47 -58.3902      48 -58.3240      49 -58.3162      50 -58.3175
      51 -58.3171      52 -58.3226      53 -58.3201
 
 
 
 E-fermi :  -3.2106     XC(G=0):  -2.3491     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4251      1.00000
      2     -21.6024      1.00000
      3     -21.4802      1.00000
      4     -21.4713      1.00000
      5     -21.4396      1.00000
      6     -21.4389      1.00000
      7     -21.4286      1.00000
      8     -19.7070      1.00000
      9     -19.6518      1.00000
     10     -19.6290      1.00000
     11     -19.6172      1.00000
     12     -19.6123      1.00000
     13     -19.6112      1.00000
     14     -18.7895      1.00000
     15     -18.7538      1.00000
     16     -18.7346      1.00000
     17     -18.7252      1.00000
     18     -18.7172      1.00000
     19     -18.7121      1.00000
     20     -16.6361      1.00000
     21     -16.6089      1.00000
     22     -16.5849      1.00000
     23     -16.5820      1.00000
     24     -16.5542      1.00000
     25     -16.5531      1.00000
     26     -15.6142      1.00000
     27     -15.6015      1.00000
     28     -15.5982      1.00000
     29     -15.5643      1.00000
     30     -15.5623      1.00000
     31     -15.5614      1.00000
     32     -14.2596      1.00000
     33     -14.2508      1.00000
     34     -14.2409      1.00000
     35     -14.2359      1.00000
     36     -14.2224      1.00000
     37     -14.2190      1.00000
     38     -11.9066      1.00000
     39     -11.8798      1.00000
     40     -11.8683      1.00000
     41     -11.8670      1.00000
     42     -11.8457      1.00000
     43     -11.8456      1.00000
     44     -11.7707      1.00000
     45     -11.7689      1.00000
     46     -11.7351      1.00000
     47     -11.7288      1.00000
     48     -11.7256      1.00000
     49     -11.7215      1.00000
     50     -10.6756      1.00000
     51     -10.3888      1.00000
     52     -10.3838      1.00000
     53     -10.3769      1.00000
     54     -10.3687      1.00000
     55     -10.3555      1.00000
     56     -10.3535      1.00000
     57      -9.9041      1.00000
     58      -9.4497      1.00000
     59      -9.4045      1.00000
     60      -9.3614      1.00000
     61      -9.3607      1.00000
     62      -9.3529      1.00000
     63      -9.1425      1.00000
     64      -9.1239      1.00000
     65      -9.1215      1.00000
     66      -9.0859      1.00000
     67      -9.0719      1.00000
     68      -9.0715      1.00000
     69      -9.0708      1.00000
     70      -9.0662      1.00000
     71      -9.0646      1.00000
     72      -9.0403      1.00000
     73      -9.0297      1.00000
     74      -9.0265      1.00000
     75      -8.1299      1.00000
     76      -7.7487      1.00000
     77      -7.4705      1.00000
     78      -7.4669      1.00000
     79      -7.4556      1.00000
     80      -7.4353      1.00000
     81      -7.4249      1.00000
     82      -7.4078      1.00000
     83      -7.3129      1.00000
     84      -7.2704      1.00000
     85      -7.2569      1.00000
     86      -7.2484      1.00000
     87      -7.1493      1.00000
     88      -7.0497      1.00000
     89      -6.4460      1.00000
     90      -6.4164      1.00000
     91      -6.4007      1.00000
     92      -6.3632      1.00000
     93      -6.3527      1.00000
     94      -6.3404      1.00000
     95      -5.9612      1.00000
     96      -5.9591      1.00000
     97      -4.8087      1.00000
     98      -4.5460      1.00000
     99      -4.4821      1.00000
    100      -4.4758      1.00000
    101      -4.3828      1.00000
    102      -4.3825      1.00000
    103      -4.2691      1.00000
    104      -4.1886      1.00000
    105      -3.7405      1.00000
    106      -3.4792      1.00000
    107      -1.8644      0.00000
    108      -1.6718      0.00000
    109      -1.6260      0.00000
    110      -1.5933      0.00000
    111      -1.5775      0.00000
    112      -1.5767      0.00000
    113      -0.4295      0.00000
    114       0.1445      0.00000
    115       0.1892      0.00000
    116       0.2530      0.00000
    117       0.2656      0.00000
    118       0.2686      0.00000
    119       0.4772      0.00000
    120       0.5475      0.00000
    121       1.2487      0.00000
    122       1.2909      0.00000
    123       1.5332      0.00000
    124       1.7703      0.00000
    125       1.7732      0.00000
    126       1.7735      0.00000
    127       1.7979      0.00000
    128       1.8266      0.00000
    129       1.9550      0.00000
    130       1.9658      0.00000
    131       1.9707      0.00000
    132       1.9853      0.00000
    133       1.9928      0.00000
    134       2.0774      0.00000
    135       2.2479      0.00000
    136       2.3438      0.00000
    137       2.6049      0.00000
    138       2.6060      0.00000
    139       2.6322      0.00000
    140       2.6979      0.00000
    141       2.9344      0.00000
    142       3.0449      0.00000
    143       3.0618      0.00000
    144       3.0913      0.00000
    145       3.0914      0.00000
    146       3.0943      0.00000
    147       3.1065      0.00000
    148       3.2710      0.00000
    149       3.4479      0.00000
    150       3.5004      0.00000
    151       3.8167      0.00000
    152       3.9358      0.00000
    153       3.9378      0.00000
    154       3.9394      0.00000
    155       3.9507      0.00000
    156       3.9927      0.00000
    157       4.1902      0.00000
    158       4.2613      0.00000
    159       4.2797      0.00000
    160       4.2835      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3884      1.00000
      2     -21.8295      1.00000
      3     -21.6371      1.00000
      4     -21.6092      1.00000
      5     -21.2737      1.00000
      6     -21.2341      1.00000
      7     -21.0559      1.00000
      8     -20.1670      1.00000
      9     -20.1287      1.00000
     10     -19.6077      1.00000
     11     -19.5967      1.00000
     12     -19.4167      1.00000
     13     -19.0893      1.00000
     14     -19.0590      1.00000
     15     -19.0485      1.00000
     16     -19.0409      1.00000
     17     -18.3602      1.00000
     18     -18.3517      1.00000
     19     -18.0191      1.00000
     20     -17.0697      1.00000
     21     -17.0307      1.00000
     22     -16.9447      1.00000
     23     -16.9394      1.00000
     24     -16.4683      1.00000
     25     -16.4627      1.00000
     26     -15.6135      1.00000
     27     -15.6068      1.00000
     28     -15.2527      1.00000
     29     -15.2439      1.00000
     30     -15.1849      1.00000
     31     -15.0980      1.00000
     32     -15.0711      1.00000
     33     -14.6982      1.00000
     34     -14.6964      1.00000
     35     -13.7267      1.00000
     36     -13.7240      1.00000
     37     -13.2365      1.00000
     38     -12.6153      1.00000
     39     -12.5849      1.00000
     40     -12.4542      1.00000
     41     -12.4502      1.00000
     42     -12.1104      1.00000
     43     -12.1054      1.00000
     44     -11.7167      1.00000
     45     -11.6857      1.00000
     46     -11.2359      1.00000
     47     -11.2270      1.00000
     48     -11.0183      1.00000
     49     -11.0102      1.00000
     50     -10.9265      1.00000
     51     -10.9049      1.00000
     52     -10.6306      1.00000
     53     -10.1561      1.00000
     54     -10.1506      1.00000
     55     -10.0932      1.00000
     56      -9.9984      1.00000
     57      -9.7028      1.00000
     58      -9.6960      1.00000
     59      -9.6553      1.00000
     60      -9.5920      1.00000
     61      -9.5771      1.00000
     62      -9.5589      1.00000
     63      -9.3086      1.00000
     64      -9.3037      1.00000
     65      -9.2735      1.00000
     66      -9.2363      1.00000
     67      -9.1359      1.00000
     68      -9.1172      1.00000
     69      -9.1111      1.00000
     70      -8.9389      1.00000
     71      -8.8720      1.00000
     72      -8.6057      1.00000
     73      -8.5920      1.00000
     74      -8.2366      1.00000
     75      -8.1026      1.00000
     76      -7.9137      1.00000
     77      -7.8642      1.00000
     78      -7.7733      1.00000
     79      -7.7581      1.00000
     80      -7.6918      1.00000
     81      -7.5620      1.00000
     82      -7.3405      1.00000
     83      -7.3241      1.00000
     84      -7.2037      1.00000
     85      -7.1235      1.00000
     86      -7.0319      1.00000
     87      -7.0130      1.00000
     88      -6.7045      1.00000
     89      -6.6777      1.00000
     90      -6.6411      1.00000
     91      -6.5975      1.00000
     92      -6.1183      1.00000
     93      -6.0630      1.00000
     94      -6.0321      1.00000
     95      -6.0112      1.00000
     96      -5.7840      1.00000
     97      -4.9763      1.00000
     98      -4.8328      1.00000
     99      -4.7480      1.00000
    100      -4.6804      1.00000
    101      -4.4705      1.00000
    102      -4.2051      1.00000
    103      -4.1728      1.00000
    104      -4.1291      1.00000
    105      -3.7307      1.00000
    106      -3.4895      1.00000
    107      -1.8727      0.00000
    108      -1.8104      0.00000
    109      -1.5267      0.00000
    110      -1.3791      0.00000
    111      -1.3233      0.00000
    112      -1.2901      0.00000
    113      -0.7220      0.00000
    114      -0.3778      0.00000
    115      -0.2515      0.00000
    116       0.0374      0.00000
    117       0.5558      0.00000
    118       0.6966      0.00000
    119       0.7438      0.00000
    120       1.0466      0.00000
    121       1.0970      0.00000
    122       1.1486      0.00000
    123       1.2253      0.00000
    124       1.3772      0.00000
    125       1.5229      0.00000
    126       1.5796      0.00000
    127       1.7139      0.00000
    128       1.8121      0.00000
    129       1.8542      0.00000
    130       1.8788      0.00000
    131       2.0961      0.00000
    132       2.1848      0.00000
    133       2.2400      0.00000
    134       2.3029      0.00000
    135       2.5090      0.00000
    136       2.5840      0.00000
    137       2.6331      0.00000
    138       2.7729      0.00000
    139       2.7881      0.00000
    140       2.8209      0.00000
    141       2.8565      0.00000
    142       2.8937      0.00000
    143       2.9444      0.00000
    144       3.0746      0.00000
    145       3.1490      0.00000
    146       3.3156      0.00000
    147       3.3789      0.00000
    148       3.4271      0.00000
    149       3.4582      0.00000
    150       3.6043      0.00000
    151       3.6417      0.00000
    152       3.6555      0.00000
    153       3.7038      0.00000
    154       3.9012      0.00000
    155       3.9588      0.00000
    156       4.0138      0.00000
    157       4.0690      0.00000
    158       4.2246      0.00000
    159       4.2412      0.00000
    160       4.2773      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2824      1.00000
      2     -22.0768      1.00000
      3     -21.7155      1.00000
      4     -21.6836      1.00000
      5     -20.9786      1.00000
      6     -20.9378      1.00000
      7     -20.6111      1.00000
      8     -20.5744      1.00000
      9     -20.5680      1.00000
     10     -20.0320      1.00000
     11     -19.5026      1.00000
     12     -19.4909      1.00000
     13     -19.3060      1.00000
     14     -19.3009      1.00000
     15     -18.4475      1.00000
     16     -18.4107      1.00000
     17     -17.9222      1.00000
     18     -17.9124      1.00000
     19     -17.7617      1.00000
     20     -17.7258      1.00000
     21     -17.4361      1.00000
     22     -17.4281      1.00000
     23     -17.3415      1.00000
     24     -16.4628      1.00000
     25     -16.4613      1.00000
     26     -15.9665      1.00000
     27     -15.4137      1.00000
     28     -15.4086      1.00000
     29     -15.0960      1.00000
     30     -15.0931      1.00000
     31     -14.8557      1.00000
     32     -14.8484      1.00000
     33     -14.2909      1.00000
     34     -14.2579      1.00000
     35     -13.4375      1.00000
     36     -13.4049      1.00000
     37     -13.1780      1.00000
     38     -13.1743      1.00000
     39     -12.9811      1.00000
     40     -12.9762      1.00000
     41     -12.6140      1.00000
     42     -12.6101      1.00000
     43     -12.1988      1.00000
     44     -11.5761      1.00000
     45     -11.5422      1.00000
     46     -11.3103      1.00000
     47     -11.2873      1.00000
     48     -11.1434      1.00000
     49     -10.6771      1.00000
     50     -10.6614      1.00000
     51     -10.5531      1.00000
     52     -10.3249      1.00000
     53     -10.3177      1.00000
     54     -10.1683      1.00000
     55     -10.1166      1.00000
     56     -10.1131      1.00000
     57      -9.7975      1.00000
     58      -9.7668      1.00000
     59      -9.7515      1.00000
     60      -9.6999      1.00000
     61      -9.6984      1.00000
     62      -9.6610      1.00000
     63      -9.3564      1.00000
     64      -9.3511      1.00000
     65      -9.3152      1.00000
     66      -9.0411      1.00000
     67      -8.9637      1.00000
     68      -8.9497      1.00000
     69      -8.7989      1.00000
     70      -8.5948      1.00000
     71      -8.5574      1.00000
     72      -8.3981      1.00000
     73      -8.3645      1.00000
     74      -8.3257      1.00000
     75      -8.3081      1.00000
     76      -8.2603      1.00000
     77      -8.2582      1.00000
     78      -8.2366      1.00000
     79      -7.9044      1.00000
     80      -7.6515      1.00000
     81      -7.5507      1.00000
     82      -7.3881      1.00000
     83      -7.3509      1.00000
     84      -7.2330      1.00000
     85      -7.0957      1.00000
     86      -7.0386      1.00000
     87      -6.9335      1.00000
     88      -6.8480      1.00000
     89      -6.6135      1.00000
     90      -6.5611      1.00000
     91      -6.2709      1.00000
     92      -6.0444      1.00000
     93      -5.9519      1.00000
     94      -5.6635      1.00000
     95      -5.6225      1.00000
     96      -5.4643      1.00000
     97      -5.3210      1.00000
     98      -5.2793      1.00000
     99      -5.2148      1.00000
    100      -5.1939      1.00000
    101      -4.5103      1.00000
    102      -4.2093      1.00000
    103      -4.0608      1.00000
    104      -3.9902      1.00000
    105      -3.6952      1.00000
    106      -3.4997      1.00000
    107      -1.9486      0.00000
    108      -1.8978      0.00000
    109      -1.3416      0.00000
    110      -1.0868      0.00000
    111      -1.0597      0.00000
    112      -0.8024      0.00000
    113      -0.6790      0.00000
    114      -0.6491      0.00000
    115      -0.6096      0.00000
    116      -0.1083      0.00000
    117       0.2126      0.00000
    118       0.3287      0.00000
    119       0.6942      0.00000
    120       0.8884      0.00000
    121       1.1254      0.00000
    122       1.1963      0.00000
    123       1.3262      0.00000
    124       1.4201      0.00000
    125       1.5512      0.00000
    126       1.5730      0.00000
    127       1.6765      0.00000
    128       1.8079      0.00000
    129       1.8786      0.00000
    130       2.0518      0.00000
    131       2.1198      0.00000
    132       2.3244      0.00000
    133       2.3569      0.00000
    134       2.3932      0.00000
    135       2.5426      0.00000
    136       2.6277      0.00000
    137       2.7263      0.00000
    138       2.7541      0.00000
    139       2.8199      0.00000
    140       2.8741      0.00000
    141       3.0366      0.00000
    142       3.0521      0.00000
    143       3.1591      0.00000
    144       3.2604      0.00000
    145       3.3580      0.00000
    146       3.4118      0.00000
    147       3.4285      0.00000
    148       3.5568      0.00000
    149       3.5734      0.00000
    150       3.5915      0.00000
    151       3.6553      0.00000
    152       3.6731      0.00000
    153       3.7757      0.00000
    154       3.7938      0.00000
    155       3.8013      0.00000
    156       3.8930      0.00000
    157       3.9168      0.00000
    158       3.9974      0.00000
    159       4.2084      0.00000
    160       4.2252      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3164      1.00000
      2     -21.9618      1.00000
      3     -21.8924      1.00000
      4     -21.3799      1.00000
      5     -21.3504      1.00000
      6     -20.8390      1.00000
      7     -20.7736      1.00000
      8     -20.6234      1.00000
      9     -20.0767      1.00000
     10     -20.0709      1.00000
     11     -19.7163      1.00000
     12     -19.6916      1.00000
     13     -18.9959      1.00000
     14     -18.9900      1.00000
     15     -18.6398      1.00000
     16     -18.6238      1.00000
     17     -18.4623      1.00000
     18     -17.6760      1.00000
     19     -17.6252      1.00000
     20     -17.6225      1.00000
     21     -17.5806      1.00000
     22     -17.1264      1.00000
     23     -17.1048      1.00000
     24     -16.9614      1.00000
     25     -16.0014      1.00000
     26     -15.9288      1.00000
     27     -15.5855      1.00000
     28     -15.5852      1.00000
     29     -15.2876      1.00000
     30     -14.8641      1.00000
     31     -14.8367      1.00000
     32     -14.5800      1.00000
     33     -14.5381      1.00000
     34     -14.1682      1.00000
     35     -14.1546      1.00000
     36     -13.1486      1.00000
     37     -13.1006      1.00000
     38     -13.0308      1.00000
     39     -13.0208      1.00000
     40     -12.7102      1.00000
     41     -12.7060      1.00000
     42     -12.3407      1.00000
     43     -12.3094      1.00000
     44     -11.6362      1.00000
     45     -11.6225      1.00000
     46     -11.5717      1.00000
     47     -10.9493      1.00000
     48     -10.9161      1.00000
     49     -10.6335      1.00000
     50     -10.6261      1.00000
     51     -10.5477      1.00000
     52     -10.4992      1.00000
     53     -10.4989      1.00000
     54     -10.4410      1.00000
     55     -10.3621      1.00000
     56     -10.0987      1.00000
     57      -9.9024      1.00000
     58      -9.6106      1.00000
     59      -9.5582      1.00000
     60      -9.4522      1.00000
     61      -9.4120      1.00000
     62      -9.4054      1.00000
     63      -9.3784      1.00000
     64      -9.3784      1.00000
     65      -9.2865      1.00000
     66      -9.1692      1.00000
     67      -9.1437      1.00000
     68      -9.1152      1.00000
     69      -8.8647      1.00000
     70      -8.8571      1.00000
     71      -8.8150      1.00000
     72      -8.5964      1.00000
     73      -8.4797      1.00000
     74      -8.1992      1.00000
     75      -8.1637      1.00000
     76      -8.0084      1.00000
     77      -7.9650      1.00000
     78      -7.8527      1.00000
     79      -7.8425      1.00000
     80      -7.7060      1.00000
     81      -7.6990      1.00000
     82      -7.6214      1.00000
     83      -7.4494      1.00000
     84      -7.2998      1.00000
     85      -7.2542      1.00000
     86      -6.9074      1.00000
     87      -6.8936      1.00000
     88      -6.5885      1.00000
     89      -6.5512      1.00000
     90      -6.4090      1.00000
     91      -6.2530      1.00000
     92      -6.2324      1.00000
     93      -6.2062      1.00000
     94      -6.0237      1.00000
     95      -5.5511      1.00000
     96      -5.4898      1.00000
     97      -5.3516      1.00000
     98      -5.2206      1.00000
     99      -4.9796      1.00000
    100      -4.7337      1.00000
    101      -4.6789      1.00000
    102      -4.3887      1.00000
    103      -4.2047      1.00000
    104      -3.8727      1.00000
    105      -3.5470      1.00000
    106      -3.5119      1.00000
    107      -2.2580      0.00000
    108      -1.4595      0.00000
    109      -1.3726      0.00000
    110      -1.2438      0.00000
    111      -1.1002      0.00000
    112      -0.9471      0.00000
    113      -0.8658      0.00000
    114      -0.8054      0.00000
    115      -0.1392      0.00000
    116       0.1096      0.00000
    117       0.2389      0.00000
    118       0.3765      0.00000
    119       0.6516      0.00000
    120       0.8337      0.00000
    121       0.9338      0.00000
    122       1.0639      0.00000
    123       1.2325      0.00000
    124       1.4487      0.00000
    125       1.5474      0.00000
    126       1.7629      0.00000
    127       1.7898      0.00000
    128       1.8705      0.00000
    129       1.9662      0.00000
    130       2.0439      0.00000
    131       2.1729      0.00000
    132       2.1913      0.00000
    133       2.4081      0.00000
    134       2.4539      0.00000
    135       2.5277      0.00000
    136       2.6008      0.00000
    137       2.6360      0.00000
    138       2.6940      0.00000
    139       2.7652      0.00000
    140       2.8318      0.00000
    141       2.9458      0.00000
    142       3.0727      0.00000
    143       3.1976      0.00000
    144       3.2054      0.00000
    145       3.2533      0.00000
    146       3.3082      0.00000
    147       3.3225      0.00000
    148       3.4638      0.00000
    149       3.4952      0.00000
    150       3.6953      0.00000
    151       3.7101      0.00000
    152       3.7279      0.00000
    153       3.8551      0.00000
    154       3.9110      0.00000
    155       3.9349      0.00000
    156       3.9738      0.00000
    157       4.0074      0.00000
    158       4.0350      0.00000
    159       4.0445      0.00000
    160       4.0529      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2095      1.00000
      2     -22.1163      1.00000
      3     -21.9556      1.00000
      4     -21.4034      1.00000
      5     -21.0490      1.00000
      6     -21.0129      1.00000
      7     -20.5000      1.00000
      8     -20.4604      1.00000
      9     -20.2943      1.00000
     10     -20.2749      1.00000
     11     -19.9568      1.00000
     12     -19.8910      1.00000
     13     -18.8820      1.00000
     14     -18.8131      1.00000
     15     -18.3529      1.00000
     16     -18.3065      1.00000
     17     -18.1529      1.00000
     18     -18.1355      1.00000
     19     -17.8269      1.00000
     20     -17.7891      1.00000
     21     -17.2525      1.00000
     22     -17.2413      1.00000
     23     -17.1657      1.00000
     24     -17.1326      1.00000
     25     -16.1094      1.00000
     26     -15.8849      1.00000
     27     -15.8697      1.00000
     28     -15.8344      1.00000
     29     -15.2376      1.00000
     30     -14.5551      1.00000
     31     -14.5272      1.00000
     32     -14.2814      1.00000
     33     -13.9646      1.00000
     34     -13.9570      1.00000
     35     -13.8214      1.00000
     36     -13.8052      1.00000
     37     -13.6153      1.00000
     38     -13.5713      1.00000
     39     -13.3690      1.00000
     40     -12.6340      1.00000
     41     -12.1819      1.00000
     42     -12.1336      1.00000
     43     -12.0717      1.00000
     44     -12.0193      1.00000
     45     -11.6711      1.00000
     46     -11.6575      1.00000
     47     -11.1398      1.00000
     48     -11.1191      1.00000
     49     -10.7947      1.00000
     50     -10.7309      1.00000
     51     -10.5290      1.00000
     52     -10.2106      1.00000
     53     -10.2057      1.00000
     54     -10.1634      1.00000
     55     -10.0188      1.00000
     56     -10.0038      1.00000
     57      -9.9907      1.00000
     58      -9.8021      1.00000
     59      -9.7986      1.00000
     60      -9.7636      1.00000
     61      -9.7589      1.00000
     62      -9.4545      1.00000
     63      -9.4169      1.00000
     64      -9.0804      1.00000
     65      -9.0740      1.00000
     66      -9.0414      1.00000
     67      -8.9566      1.00000
     68      -8.8766      1.00000
     69      -8.7135      1.00000
     70      -8.7012      1.00000
     71      -8.5663      1.00000
     72      -8.5433      1.00000
     73      -8.4994      1.00000
     74      -8.4641      1.00000
     75      -8.4538      1.00000
     76      -8.2601      1.00000
     77      -8.1253      1.00000
     78      -8.0430      1.00000
     79      -7.9171      1.00000
     80      -7.8633      1.00000
     81      -7.6148      1.00000
     82      -7.5493      1.00000
     83      -7.4896      1.00000
     84      -7.2694      1.00000
     85      -6.9977      1.00000
     86      -6.9252      1.00000
     87      -6.8839      1.00000
     88      -6.5338      1.00000
     89      -6.4883      1.00000
     90      -6.4613      1.00000
     91      -6.4099      1.00000
     92      -5.9845      1.00000
     93      -5.8979      1.00000
     94      -5.7852      1.00000
     95      -5.7594      1.00000
     96      -5.4332      1.00000
     97      -5.3300      1.00000
     98      -5.2310      1.00000
     99      -5.2187      1.00000
    100      -5.1884      1.00000
    101      -4.6931      1.00000
    102      -4.4229      1.00000
    103      -4.2112      1.00000
    104      -3.8359      1.00000
    105      -3.5311      1.00000
    106      -3.2750      1.00000
    107      -2.5328      0.00000
    108      -1.4608      0.00000
    109      -1.2683      0.00000
    110      -1.2046      0.00000
    111      -1.1743      0.00000
    112      -0.7218      0.00000
    113      -0.5059      0.00000
    114      -0.4140      0.00000
    115      -0.3415      0.00000
    116      -0.1478      0.00000
    117      -0.0055      0.00000
    118       0.1940      0.00000
    119       0.5602      0.00000
    120       0.6099      0.00000
    121       0.7961      0.00000
    122       0.9075      0.00000
    123       1.1325      0.00000
    124       1.4921      0.00000
    125       1.6354      0.00000
    126       1.8489      0.00000
    127       1.9248      0.00000
    128       2.1016      0.00000
    129       2.1136      0.00000
    130       2.1440      0.00000
    131       2.1861      0.00000
    132       2.2764      0.00000
    133       2.3348      0.00000
    134       2.4712      0.00000
    135       2.5800      0.00000
    136       2.6537      0.00000
    137       2.8504      0.00000
    138       2.8673      0.00000
    139       2.8901      0.00000
    140       2.9967      0.00000
    141       3.0142      0.00000
    142       3.1378      0.00000
    143       3.1769      0.00000
    144       3.2220      0.00000
    145       3.2676      0.00000
    146       3.2815      0.00000
    147       3.2974      0.00000
    148       3.3438      0.00000
    149       3.4213      0.00000
    150       3.4460      0.00000
    151       3.5521      0.00000
    152       3.6197      0.00000
    153       3.7033      0.00000
    154       3.7286      0.00000
    155       3.7700      0.00000
    156       3.8934      0.00000
    157       3.9306      0.00000
    158       4.0002      0.00000
    159       4.1263      0.00000
    160       4.2179      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3162      1.00000
      2     -21.9633      1.00000
      3     -21.8910      1.00000
      4     -21.3837      1.00000
      5     -21.3472      1.00000
      6     -20.8385      1.00000
      7     -20.7720      1.00000
      8     -20.6240      1.00000
      9     -20.0890      1.00000
     10     -20.0601      1.00000
     11     -19.7178      1.00000
     12     -19.6889      1.00000
     13     -19.0095      1.00000
     14     -18.9782      1.00000
     15     -18.6497      1.00000
     16     -18.6168      1.00000
     17     -18.4600      1.00000
     18     -17.6605      1.00000
     19     -17.6463      1.00000
     20     -17.6103      1.00000
     21     -17.5776      1.00000
     22     -17.1376      1.00000
     23     -17.0973      1.00000
     24     -16.9667      1.00000
     25     -16.0092      1.00000
     26     -15.9224      1.00000
     27     -15.5986      1.00000
     28     -15.5750      1.00000
     29     -15.2798      1.00000
     30     -14.8770      1.00000
     31     -14.8298      1.00000
     32     -14.5749      1.00000
     33     -14.5370      1.00000
     34     -14.1645      1.00000
     35     -14.1602      1.00000
     36     -13.1632      1.00000
     37     -13.0954      1.00000
     38     -13.0232      1.00000
     39     -13.0188      1.00000
     40     -12.7183      1.00000
     41     -12.6949      1.00000
     42     -12.3406      1.00000
     43     -12.3134      1.00000
     44     -11.6329      1.00000
     45     -11.6234      1.00000
     46     -11.5699      1.00000
     47     -10.9413      1.00000
     48     -10.9233      1.00000
     49     -10.6700      1.00000
     50     -10.5904      1.00000
     51     -10.5735      1.00000
     52     -10.5018      1.00000
     53     -10.4892      1.00000
     54     -10.4401      1.00000
     55     -10.3560      1.00000
     56     -10.1030      1.00000
     57      -9.8966      1.00000
     58      -9.6086      1.00000
     59      -9.5513      1.00000
     60      -9.4541      1.00000
     61      -9.4198      1.00000
     62      -9.4094      1.00000
     63      -9.3793      1.00000
     64      -9.3724      1.00000
     65      -9.2668      1.00000
     66      -9.1668      1.00000
     67      -9.1428      1.00000
     68      -9.1163      1.00000
     69      -8.8671      1.00000
     70      -8.8611      1.00000
     71      -8.8021      1.00000
     72      -8.5957      1.00000
     73      -8.5265      1.00000
     74      -8.1944      1.00000
     75      -8.1715      1.00000
     76      -8.0756      1.00000
     77      -7.8584      1.00000
     78      -7.8375      1.00000
     79      -7.8243      1.00000
     80      -7.7119      1.00000
     81      -7.6973      1.00000
     82      -7.5968      1.00000
     83      -7.5309      1.00000
     84      -7.3500      1.00000
     85      -7.1682      1.00000
     86      -6.9070      1.00000
     87      -6.8972      1.00000
     88      -6.5928      1.00000
     89      -6.5510      1.00000
     90      -6.4074      1.00000
     91      -6.3027      1.00000
     92      -6.2478      1.00000
     93      -6.2030      1.00000
     94      -6.0040      1.00000
     95      -5.5327      1.00000
     96      -5.4652      1.00000
     97      -5.3147      1.00000
     98      -5.2097      1.00000
     99      -5.0483      1.00000
    100      -4.7249      1.00000
    101      -4.6723      1.00000
    102      -4.4254      1.00000
    103      -4.1964      1.00000
    104      -3.8446      1.00000
    105      -3.6362      1.00000
    106      -3.4175      1.00000
    107      -2.2942      0.00000
    108      -1.5119      0.00000
    109      -1.2719      0.00000
    110      -1.2642      0.00000
    111      -1.0364      0.00000
    112      -0.9791      0.00000
    113      -0.8701      0.00000
    114      -0.8019      0.00000
    115      -0.2620      0.00000
    116       0.2017      0.00000
    117       0.2369      0.00000
    118       0.3594      0.00000
    119       0.6907      0.00000
    120       0.8916      0.00000
    121       0.9218      0.00000
    122       1.0407      0.00000
    123       1.1675      0.00000
    124       1.5092      0.00000
    125       1.5569      0.00000
    126       1.7080      0.00000
    127       1.7760      0.00000
    128       1.8306      0.00000
    129       1.9617      0.00000
    130       1.9815      0.00000
    131       2.1826      0.00000
    132       2.2580      0.00000
    133       2.4120      0.00000
    134       2.4585      0.00000
    135       2.5289      0.00000
    136       2.5967      0.00000
    137       2.6148      0.00000
    138       2.6973      0.00000
    139       2.7458      0.00000
    140       2.8606      0.00000
    141       3.0337      0.00000
    142       3.0714      0.00000
    143       3.1853      0.00000
    144       3.2383      0.00000
    145       3.2561      0.00000
    146       3.2923      0.00000
    147       3.3377      0.00000
    148       3.4493      0.00000
    149       3.5168      0.00000
    150       3.6901      0.00000
    151       3.7129      0.00000
    152       3.7500      0.00000
    153       3.8290      0.00000
    154       3.8860      0.00000
    155       3.9235      0.00000
    156       3.9723      0.00000
    157       4.0025      0.00000
    158       4.0330      0.00000
    159       4.0378      0.00000
    160       4.0909      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3883      1.00000
      2     -21.8296      1.00000
      3     -21.6404      1.00000
      4     -21.6053      1.00000
      5     -21.2779      1.00000
      6     -21.2307      1.00000
      7     -21.0553      1.00000
      8     -20.1707      1.00000
      9     -20.1244      1.00000
     10     -19.6165      1.00000
     11     -19.5905      1.00000
     12     -19.4146      1.00000
     13     -19.0941      1.00000
     14     -19.0554      1.00000
     15     -19.0512      1.00000
     16     -19.0381      1.00000
     17     -18.3665      1.00000
     18     -18.3469      1.00000
     19     -18.0158      1.00000
     20     -17.0721      1.00000
     21     -17.0230      1.00000
     22     -16.9499      1.00000
     23     -16.9362      1.00000
     24     -16.4760      1.00000
     25     -16.4637      1.00000
     26     -15.6093      1.00000
     27     -15.6088      1.00000
     28     -15.2493      1.00000
     29     -15.2375      1.00000
     30     -15.1910      1.00000
     31     -15.1010      1.00000
     32     -15.0682      1.00000
     33     -14.6985      1.00000
     34     -14.6978      1.00000
     35     -13.7255      1.00000
     36     -13.7253      1.00000
     37     -13.2349      1.00000
     38     -12.6249      1.00000
     39     -12.5808      1.00000
     40     -12.4540      1.00000
     41     -12.4487      1.00000
     42     -12.1056      1.00000
     43     -12.1009      1.00000
     44     -11.7225      1.00000
     45     -11.6837      1.00000
     46     -11.2468      1.00000
     47     -11.2262      1.00000
     48     -11.0172      1.00000
     49     -11.0055      1.00000
     50     -10.9281      1.00000
     51     -10.8994      1.00000
     52     -10.6367      1.00000
     53     -10.1726      1.00000
     54     -10.1494      1.00000
     55     -10.0849      1.00000
     56      -9.9917      1.00000
     57      -9.6963      1.00000
     58      -9.6896      1.00000
     59      -9.6695      1.00000
     60      -9.5928      1.00000
     61      -9.5689      1.00000
     62      -9.5531      1.00000
     63      -9.3125      1.00000
     64      -9.2998      1.00000
     65      -9.2827      1.00000
     66      -9.2450      1.00000
     67      -9.1215      1.00000
     68      -9.1126      1.00000
     69      -9.1106      1.00000
     70      -8.9386      1.00000
     71      -8.8773      1.00000
     72      -8.6069      1.00000
     73      -8.5879      1.00000
     74      -8.2714      1.00000
     75      -8.1019      1.00000
     76      -7.8698      1.00000
     77      -7.8430      1.00000
     78      -7.7909      1.00000
     79      -7.7651      1.00000
     80      -7.7562      1.00000
     81      -7.4488      1.00000
     82      -7.3354      1.00000
     83      -7.3240      1.00000
     84      -7.2664      1.00000
     85      -7.1619      1.00000
     86      -7.0174      1.00000
     87      -6.9861      1.00000
     88      -6.7180      1.00000
     89      -6.6903      1.00000
     90      -6.6314      1.00000
     91      -6.5903      1.00000
     92      -6.1185      1.00000
     93      -6.0605      1.00000
     94      -6.0449      1.00000
     95      -6.0304      1.00000
     96      -5.7477      1.00000
     97      -4.9764      1.00000
     98      -4.8408      1.00000
     99      -4.7094      1.00000
    100      -4.6738      1.00000
    101      -4.4852      1.00000
    102      -4.3543      1.00000
    103      -4.1133      1.00000
    104      -4.0569      1.00000
    105      -3.7563      1.00000
    106      -3.4670      1.00000
    107      -1.9529      0.00000
    108      -1.7728      0.00000
    109      -1.4817      0.00000
    110      -1.3576      0.00000
    111      -1.3376      0.00000
    112      -1.2945      0.00000
    113      -0.6799      0.00000
    114      -0.4733      0.00000
    115      -0.2380      0.00000
    116       0.0517      0.00000
    117       0.5875      0.00000
    118       0.6895      0.00000
    119       0.7679      0.00000
    120       1.0212      0.00000
    121       1.0939      0.00000
    122       1.1756      0.00000
    123       1.2506      0.00000
    124       1.3337      0.00000
    125       1.4320      0.00000
    126       1.5956      0.00000
    127       1.7612      0.00000
    128       1.8402      0.00000
    129       1.8565      0.00000
    130       1.8855      0.00000
    131       2.0461      0.00000
    132       2.2158      0.00000
    133       2.2299      0.00000
    134       2.2818      0.00000
    135       2.4766      0.00000
    136       2.6095      0.00000
    137       2.6380      0.00000
    138       2.7479      0.00000
    139       2.7810      0.00000
    140       2.8321      0.00000
    141       2.8429      0.00000
    142       2.8679      0.00000
    143       2.9482      0.00000
    144       3.0792      0.00000
    145       3.3141      0.00000
    146       3.3535      0.00000
    147       3.4004      0.00000
    148       3.4130      0.00000
    149       3.4164      0.00000
    150       3.5837      0.00000
    151       3.6417      0.00000
    152       3.6639      0.00000
    153       3.7233      0.00000
    154       3.8892      0.00000
    155       3.9224      0.00000
    156       3.9523      0.00000
    157       4.1101      0.00000
    158       4.2018      0.00000
    159       4.2402      0.00000
    160       4.2782      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2086      1.00000
      2     -22.1176      1.00000
      3     -21.9554      1.00000
      4     -21.4036      1.00000
      5     -21.0451      1.00000
      6     -21.0166      1.00000
      7     -20.4953      1.00000
      8     -20.4651      1.00000
      9     -20.2850      1.00000
     10     -20.2831      1.00000
     11     -19.9561      1.00000
     12     -19.8929      1.00000
     13     -18.8833      1.00000
     14     -18.8155      1.00000
     15     -18.3369      1.00000
     16     -18.3178      1.00000
     17     -18.1487      1.00000
     18     -18.1412      1.00000
     19     -17.8152      1.00000
     20     -17.7971      1.00000
     21     -17.2587      1.00000
     22     -17.2389      1.00000
     23     -17.1595      1.00000
     24     -17.1360      1.00000
     25     -16.1156      1.00000
     26     -15.8802      1.00000
     27     -15.8690      1.00000
     28     -15.8417      1.00000
     29     -15.2307      1.00000
     30     -14.5516      1.00000
     31     -14.5330      1.00000
     32     -14.2758      1.00000
     33     -13.9748      1.00000
     34     -13.9511      1.00000
     35     -13.8254      1.00000
     36     -13.8031      1.00000
     37     -13.6044      1.00000
     38     -13.5790      1.00000
     39     -13.3690      1.00000
     40     -12.6380      1.00000
     41     -12.1697      1.00000
     42     -12.1432      1.00000
     43     -12.0680      1.00000
     44     -12.0211      1.00000
     45     -11.6649      1.00000
     46     -11.6600      1.00000
     47     -11.1382      1.00000
     48     -11.1271      1.00000
     49     -10.7916      1.00000
     50     -10.7353      1.00000
     51     -10.5359      1.00000
     52     -10.2081      1.00000
     53     -10.2018      1.00000
     54     -10.1691      1.00000
     55     -10.0226      1.00000
     56      -9.9932      1.00000
     57      -9.9901      1.00000
     58      -9.8051      1.00000
     59      -9.7957      1.00000
     60      -9.7659      1.00000
     61      -9.7583      1.00000
     62      -9.4562      1.00000
     63      -9.4170      1.00000
     64      -9.0849      1.00000
     65      -9.0462      1.00000
     66      -9.0251      1.00000
     67      -8.9713      1.00000
     68      -8.8973      1.00000
     69      -8.7082      1.00000
     70      -8.6990      1.00000
     71      -8.5622      1.00000
     72      -8.5511      1.00000
     73      -8.4779      1.00000
     74      -8.4603      1.00000
     75      -8.4570      1.00000
     76      -8.3084      1.00000
     77      -8.0947      1.00000
     78      -8.0884      1.00000
     79      -7.9272      1.00000
     80      -7.8315      1.00000
     81      -7.6008      1.00000
     82      -7.5392      1.00000
     83      -7.4423      1.00000
     84      -7.3168      1.00000
     85      -6.9948      1.00000
     86      -6.9201      1.00000
     87      -6.8830      1.00000
     88      -6.5301      1.00000
     89      -6.5158      1.00000
     90      -6.4825      1.00000
     91      -6.4209      1.00000
     92      -5.9272      1.00000
     93      -5.9053      1.00000
     94      -5.7890      1.00000
     95      -5.7753      1.00000
     96      -5.3699      1.00000
     97      -5.3637      1.00000
     98      -5.2203      1.00000
     99      -5.2160      1.00000
    100      -5.1995      1.00000
    101      -4.7219      1.00000
    102      -4.4440      1.00000
    103      -4.1925      1.00000
    104      -3.8222      1.00000
    105      -3.5675      1.00000
    106      -3.2227      1.00000
    107      -2.5639      0.00000
    108      -1.4659      0.00000
    109      -1.2683      0.00000
    110      -1.1871      0.00000
    111      -1.1857      0.00000
    112      -0.6468      0.00000
    113      -0.5536      0.00000
    114      -0.4171      0.00000
    115      -0.3500      0.00000
    116      -0.0792      0.00000
    117      -0.0654      0.00000
    118       0.1258      0.00000
    119       0.5903      0.00000
    120       0.6247      0.00000
    121       0.8558      0.00000
    122       0.9850      0.00000
    123       1.0042      0.00000
    124       1.4947      0.00000
    125       1.6840      0.00000
    126       1.7602      0.00000
    127       1.8578      0.00000
    128       2.1085      0.00000
    129       2.1401      0.00000
    130       2.1896      0.00000
    131       2.2065      0.00000
    132       2.2527      0.00000
    133       2.3483      0.00000
    134       2.4929      0.00000
    135       2.5146      0.00000
    136       2.6605      0.00000
    137       2.8493      0.00000
    138       2.8562      0.00000
    139       2.9499      0.00000
    140       2.9847      0.00000
    141       3.0282      0.00000
    142       3.1335      0.00000
    143       3.1902      0.00000
    144       3.2362      0.00000
    145       3.2409      0.00000
    146       3.2759      0.00000
    147       3.3006      0.00000
    148       3.3529      0.00000
    149       3.4216      0.00000
    150       3.5473      0.00000
    151       3.5636      0.00000
    152       3.6442      0.00000
    153       3.6608      0.00000
    154       3.6998      0.00000
    155       3.7243      0.00000
    156       3.8948      0.00000
    157       3.9504      0.00000
    158       4.0316      0.00000
    159       4.0712      0.00000
    160       4.1798      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2820      1.00000
      2     -22.0773      1.00000
      3     -21.7192      1.00000
      4     -21.6799      1.00000
      5     -20.9819      1.00000
      6     -20.9340      1.00000
      7     -20.6105      1.00000
      8     -20.5779      1.00000
      9     -20.5646      1.00000
     10     -20.0311      1.00000
     11     -19.5130      1.00000
     12     -19.4830      1.00000
     13     -19.3109      1.00000
     14     -19.2981      1.00000
     15     -18.4490      1.00000
     16     -18.4057      1.00000
     17     -17.9274      1.00000
     18     -17.9072      1.00000
     19     -17.7654      1.00000
     20     -17.7203      1.00000
     21     -17.4416      1.00000
     22     -17.4233      1.00000
     23     -17.3374      1.00000
     24     -16.4720      1.00000
     25     -16.4614      1.00000
     26     -15.9696      1.00000
     27     -15.4110      1.00000
     28     -15.4101      1.00000
     29     -15.0962      1.00000
     30     -15.0930      1.00000
     31     -14.8528      1.00000
     32     -14.8408      1.00000
     33     -14.2978      1.00000
     34     -14.2541      1.00000
     35     -13.4445      1.00000
     36     -13.4007      1.00000
     37     -13.1755      1.00000
     38     -13.1744      1.00000
     39     -12.9845      1.00000
     40     -12.9757      1.00000
     41     -12.6111      1.00000
     42     -12.6093      1.00000
     43     -12.1965      1.00000
     44     -11.5804      1.00000
     45     -11.5391      1.00000
     46     -11.3141      1.00000
     47     -11.2836      1.00000
     48     -11.1420      1.00000
     49     -10.6939      1.00000
     50     -10.6647      1.00000
     51     -10.5472      1.00000
     52     -10.3218      1.00000
     53     -10.3142      1.00000
     54     -10.1747      1.00000
     55     -10.1231      1.00000
     56     -10.1093      1.00000
     57      -9.8110      1.00000
     58      -9.7522      1.00000
     59      -9.7520      1.00000
     60      -9.7020      1.00000
     61      -9.6981      1.00000
     62      -9.6457      1.00000
     63      -9.3527      1.00000
     64      -9.3511      1.00000
     65      -9.3199      1.00000
     66      -9.0277      1.00000
     67      -8.9616      1.00000
     68      -8.9577      1.00000
     69      -8.7745      1.00000
     70      -8.5938      1.00000
     71      -8.5883      1.00000
     72      -8.4231      1.00000
     73      -8.3490      1.00000
     74      -8.3237      1.00000
     75      -8.3024      1.00000
     76      -8.2670      1.00000
     77      -8.2558      1.00000
     78      -8.2412      1.00000
     79      -7.9208      1.00000
     80      -7.7339      1.00000
     81      -7.3802      1.00000
     82      -7.3509      1.00000
     83      -7.3257      1.00000
     84      -7.2179      1.00000
     85      -7.1605      1.00000
     86      -7.0647      1.00000
     87      -6.9610      1.00000
     88      -6.9047      1.00000
     89      -6.6161      1.00000
     90      -6.5573      1.00000
     91      -6.2738      1.00000
     92      -5.9966      1.00000
     93      -5.9593      1.00000
     94      -5.6758      1.00000
     95      -5.6494      1.00000
     96      -5.3878      1.00000
     97      -5.3151      1.00000
     98      -5.2943      1.00000
     99      -5.2124      1.00000
    100      -5.2009      1.00000
    101      -4.5134      1.00000
    102      -4.3409      1.00000
    103      -3.9983      1.00000
    104      -3.8873      1.00000
    105      -3.7943      1.00000
    106      -3.4448      1.00000
    107      -2.0366      0.00000
    108      -1.8650      0.00000
    109      -1.2200      0.00000
    110      -1.1852      0.00000
    111      -1.0380      0.00000
    112      -0.7745      0.00000
    113      -0.6791      0.00000
    114      -0.6623      0.00000
    115      -0.6118      0.00000
    116      -0.1016      0.00000
    117       0.2199      0.00000
    118       0.2391      0.00000
    119       0.7696      0.00000
    120       0.9835      0.00000
    121       1.0727      0.00000
    122       1.2390      0.00000
    123       1.2495      0.00000
    124       1.3420      0.00000
    125       1.5744      0.00000
    126       1.5818      0.00000
    127       1.6978      0.00000
    128       1.7971      0.00000
    129       1.9445      0.00000
    130       1.9569      0.00000
    131       2.0816      0.00000
    132       2.2914      0.00000
    133       2.3389      0.00000
    134       2.4140      0.00000
    135       2.5394      0.00000
    136       2.6252      0.00000
    137       2.7632      0.00000
    138       2.8225      0.00000
    139       2.8409      0.00000
    140       2.8596      0.00000
    141       3.0333      0.00000
    142       3.0979      0.00000
    143       3.1485      0.00000
    144       3.2159      0.00000
    145       3.3733      0.00000
    146       3.4124      0.00000
    147       3.4957      0.00000
    148       3.5339      0.00000
    149       3.5873      0.00000
    150       3.6006      0.00000
    151       3.6422      0.00000
    152       3.7307      0.00000
    153       3.7417      0.00000
    154       3.7711      0.00000
    155       3.8118      0.00000
    156       3.8749      0.00000
    157       4.0245      0.00000
    158       4.0823      0.00000
    159       4.1627      0.00000
    160       4.2067      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4251      1.00000
      2     -21.6024      1.00000
      3     -21.4802      1.00000
      4     -21.4713      1.00000
      5     -21.4396      1.00000
      6     -21.4389      1.00000
      7     -21.4286      1.00000
      8     -19.7070      1.00000
      9     -19.6518      1.00000
     10     -19.6290      1.00000
     11     -19.6172      1.00000
     12     -19.6123      1.00000
     13     -19.6112      1.00000
     14     -18.7895      1.00000
     15     -18.7538      1.00000
     16     -18.7346      1.00000
     17     -18.7252      1.00000
     18     -18.7172      1.00000
     19     -18.7121      1.00000
     20     -16.6361      1.00000
     21     -16.6089      1.00000
     22     -16.5849      1.00000
     23     -16.5820      1.00000
     24     -16.5542      1.00000
     25     -16.5531      1.00000
     26     -15.6142      1.00000
     27     -15.6015      1.00000
     28     -15.5982      1.00000
     29     -15.5643      1.00000
     30     -15.5623      1.00000
     31     -15.5614      1.00000
     32     -14.2596      1.00000
     33     -14.2508      1.00000
     34     -14.2409      1.00000
     35     -14.2359      1.00000
     36     -14.2224      1.00000
     37     -14.2190      1.00000
     38     -11.9066      1.00000
     39     -11.8798      1.00000
     40     -11.8683      1.00000
     41     -11.8670      1.00000
     42     -11.8457      1.00000
     43     -11.8456      1.00000
     44     -11.7707      1.00000
     45     -11.7689      1.00000
     46     -11.7351      1.00000
     47     -11.7288      1.00000
     48     -11.7256      1.00000
     49     -11.7215      1.00000
     50     -10.6756      1.00000
     51     -10.3888      1.00000
     52     -10.3838      1.00000
     53     -10.3769      1.00000
     54     -10.3687      1.00000
     55     -10.3555      1.00000
     56     -10.3535      1.00000
     57      -9.9041      1.00000
     58      -9.4497      1.00000
     59      -9.4045      1.00000
     60      -9.3614      1.00000
     61      -9.3607      1.00000
     62      -9.3529      1.00000
     63      -9.1425      1.00000
     64      -9.1239      1.00000
     65      -9.1215      1.00000
     66      -9.0859      1.00000
     67      -9.0719      1.00000
     68      -9.0715      1.00000
     69      -9.0708      1.00000
     70      -9.0662      1.00000
     71      -9.0646      1.00000
     72      -9.0403      1.00000
     73      -9.0297      1.00000
     74      -9.0265      1.00000
     75      -8.1299      1.00000
     76      -7.7487      1.00000
     77      -7.4705      1.00000
     78      -7.4669      1.00000
     79      -7.4556      1.00000
     80      -7.4353      1.00000
     81      -7.4249      1.00000
     82      -7.4078      1.00000
     83      -7.3129      1.00000
     84      -7.2704      1.00000
     85      -7.2569      1.00000
     86      -7.2484      1.00000
     87      -7.1493      1.00000
     88      -7.0497      1.00000
     89      -6.4460      1.00000
     90      -6.4164      1.00000
     91      -6.4007      1.00000
     92      -6.3632      1.00000
     93      -6.3527      1.00000
     94      -6.3404      1.00000
     95      -5.9612      1.00000
     96      -5.9591      1.00000
     97      -4.8087      1.00000
     98      -4.5460      1.00000
     99      -4.4821      1.00000
    100      -4.4758      1.00000
    101      -4.3828      1.00000
    102      -4.3825      1.00000
    103      -4.2691      1.00000
    104      -4.1886      1.00000
    105      -3.7405      1.00000
    106      -3.4792      1.00000
    107      -1.8644      0.00000
    108      -1.6718      0.00000
    109      -1.6260      0.00000
    110      -1.5933      0.00000
    111      -1.5775      0.00000
    112      -1.5767      0.00000
    113      -0.4295      0.00000
    114       0.1445      0.00000
    115       0.1892      0.00000
    116       0.2530      0.00000
    117       0.2656      0.00000
    118       0.2686      0.00000
    119       0.4772      0.00000
    120       0.5476      0.00000
    121       1.2487      0.00000
    122       1.2909      0.00000
    123       1.5332      0.00000
    124       1.7703      0.00000
    125       1.7732      0.00000
    126       1.7735      0.00000
    127       1.7978      0.00000
    128       1.8266      0.00000
    129       1.9550      0.00000
    130       1.9658      0.00000
    131       1.9707      0.00000
    132       1.9853      0.00000
    133       1.9928      0.00000
    134       2.0774      0.00000
    135       2.2480      0.00000
    136       2.3438      0.00000
    137       2.6049      0.00000
    138       2.6060      0.00000
    139       2.6322      0.00000
    140       2.6979      0.00000
    141       2.9344      0.00000
    142       3.0447      0.00000
    143       3.0616      0.00000
    144       3.0912      0.00000
    145       3.0913      0.00000
    146       3.0943      0.00000
    147       3.1063      0.00000
    148       3.2710      0.00000
    149       3.4479      0.00000
    150       3.5004      0.00000
    151       3.8167      0.00000
    152       3.9358      0.00000
    153       3.9378      0.00000
    154       3.9394      0.00000
    155       3.9507      0.00000
    156       3.9928      0.00000
    157       4.1900      0.00000
    158       4.2613      0.00000
    159       4.2796      0.00000
    160       4.2835      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3884      1.00000
      2     -21.8295      1.00000
      3     -21.6371      1.00000
      4     -21.6092      1.00000
      5     -21.2737      1.00000
      6     -21.2341      1.00000
      7     -21.0559      1.00000
      8     -20.1670      1.00000
      9     -20.1287      1.00000
     10     -19.6077      1.00000
     11     -19.5967      1.00000
     12     -19.4167      1.00000
     13     -19.0893      1.00000
     14     -19.0590      1.00000
     15     -19.0485      1.00000
     16     -19.0409      1.00000
     17     -18.3602      1.00000
     18     -18.3517      1.00000
     19     -18.0191      1.00000
     20     -17.0697      1.00000
     21     -17.0307      1.00000
     22     -16.9447      1.00000
     23     -16.9394      1.00000
     24     -16.4683      1.00000
     25     -16.4627      1.00000
     26     -15.6135      1.00000
     27     -15.6068      1.00000
     28     -15.2527      1.00000
     29     -15.2439      1.00000
     30     -15.1849      1.00000
     31     -15.0980      1.00000
     32     -15.0711      1.00000
     33     -14.6982      1.00000
     34     -14.6964      1.00000
     35     -13.7267      1.00000
     36     -13.7240      1.00000
     37     -13.2365      1.00000
     38     -12.6153      1.00000
     39     -12.5849      1.00000
     40     -12.4542      1.00000
     41     -12.4502      1.00000
     42     -12.1104      1.00000
     43     -12.1054      1.00000
     44     -11.7167      1.00000
     45     -11.6857      1.00000
     46     -11.2359      1.00000
     47     -11.2270      1.00000
     48     -11.0183      1.00000
     49     -11.0102      1.00000
     50     -10.9265      1.00000
     51     -10.9049      1.00000
     52     -10.6306      1.00000
     53     -10.1561      1.00000
     54     -10.1506      1.00000
     55     -10.0932      1.00000
     56      -9.9984      1.00000
     57      -9.7028      1.00000
     58      -9.6960      1.00000
     59      -9.6553      1.00000
     60      -9.5920      1.00000
     61      -9.5771      1.00000
     62      -9.5589      1.00000
     63      -9.3086      1.00000
     64      -9.3037      1.00000
     65      -9.2735      1.00000
     66      -9.2363      1.00000
     67      -9.1359      1.00000
     68      -9.1172      1.00000
     69      -9.1111      1.00000
     70      -8.9389      1.00000
     71      -8.8720      1.00000
     72      -8.6057      1.00000
     73      -8.5920      1.00000
     74      -8.2366      1.00000
     75      -8.1026      1.00000
     76      -7.9137      1.00000
     77      -7.8642      1.00000
     78      -7.7733      1.00000
     79      -7.7581      1.00000
     80      -7.6918      1.00000
     81      -7.5620      1.00000
     82      -7.3405      1.00000
     83      -7.3241      1.00000
     84      -7.2037      1.00000
     85      -7.1235      1.00000
     86      -7.0319      1.00000
     87      -7.0130      1.00000
     88      -6.7045      1.00000
     89      -6.6777      1.00000
     90      -6.6411      1.00000
     91      -6.5975      1.00000
     92      -6.1183      1.00000
     93      -6.0630      1.00000
     94      -6.0321      1.00000
     95      -6.0112      1.00000
     96      -5.7840      1.00000
     97      -4.9763      1.00000
     98      -4.8328      1.00000
     99      -4.7480      1.00000
    100      -4.6804      1.00000
    101      -4.4705      1.00000
    102      -4.2051      1.00000
    103      -4.1728      1.00000
    104      -4.1291      1.00000
    105      -3.7307      1.00000
    106      -3.4895      1.00000
    107      -1.8727      0.00000
    108      -1.8104      0.00000
    109      -1.5267      0.00000
    110      -1.3791      0.00000
    111      -1.3233      0.00000
    112      -1.2901      0.00000
    113      -0.7220      0.00000
    114      -0.3778      0.00000
    115      -0.2515      0.00000
    116       0.0374      0.00000
    117       0.5558      0.00000
    118       0.6966      0.00000
    119       0.7438      0.00000
    120       1.0466      0.00000
    121       1.0970      0.00000
    122       1.1486      0.00000
    123       1.2253      0.00000
    124       1.3772      0.00000
    125       1.5229      0.00000
    126       1.5796      0.00000
    127       1.7139      0.00000
    128       1.8121      0.00000
    129       1.8542      0.00000
    130       1.8788      0.00000
    131       2.0961      0.00000
    132       2.1848      0.00000
    133       2.2400      0.00000
    134       2.3029      0.00000
    135       2.5090      0.00000
    136       2.5840      0.00000
    137       2.6331      0.00000
    138       2.7729      0.00000
    139       2.7881      0.00000
    140       2.8209      0.00000
    141       2.8564      0.00000
    142       2.8937      0.00000
    143       2.9443      0.00000
    144       3.0746      0.00000
    145       3.1490      0.00000
    146       3.3155      0.00000
    147       3.3787      0.00000
    148       3.4270      0.00000
    149       3.4582      0.00000
    150       3.6042      0.00000
    151       3.6417      0.00000
    152       3.6554      0.00000
    153       3.7039      0.00000
    154       3.9012      0.00000
    155       3.9587      0.00000
    156       4.0138      0.00000
    157       4.0689      0.00000
    158       4.2246      0.00000
    159       4.2412      0.00000
    160       4.2772      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2824      1.00000
      2     -22.0768      1.00000
      3     -21.7155      1.00000
      4     -21.6836      1.00000
      5     -20.9786      1.00000
      6     -20.9378      1.00000
      7     -20.6111      1.00000
      8     -20.5744      1.00000
      9     -20.5680      1.00000
     10     -20.0320      1.00000
     11     -19.5026      1.00000
     12     -19.4909      1.00000
     13     -19.3060      1.00000
     14     -19.3009      1.00000
     15     -18.4475      1.00000
     16     -18.4107      1.00000
     17     -17.9222      1.00000
     18     -17.9124      1.00000
     19     -17.7617      1.00000
     20     -17.7258      1.00000
     21     -17.4361      1.00000
     22     -17.4281      1.00000
     23     -17.3415      1.00000
     24     -16.4628      1.00000
     25     -16.4613      1.00000
     26     -15.9665      1.00000
     27     -15.4137      1.00000
     28     -15.4086      1.00000
     29     -15.0960      1.00000
     30     -15.0931      1.00000
     31     -14.8557      1.00000
     32     -14.8484      1.00000
     33     -14.2909      1.00000
     34     -14.2579      1.00000
     35     -13.4375      1.00000
     36     -13.4049      1.00000
     37     -13.1780      1.00000
     38     -13.1743      1.00000
     39     -12.9811      1.00000
     40     -12.9762      1.00000
     41     -12.6140      1.00000
     42     -12.6101      1.00000
     43     -12.1988      1.00000
     44     -11.5761      1.00000
     45     -11.5422      1.00000
     46     -11.3103      1.00000
     47     -11.2873      1.00000
     48     -11.1434      1.00000
     49     -10.6771      1.00000
     50     -10.6614      1.00000
     51     -10.5531      1.00000
     52     -10.3249      1.00000
     53     -10.3177      1.00000
     54     -10.1683      1.00000
     55     -10.1166      1.00000
     56     -10.1131      1.00000
     57      -9.7975      1.00000
     58      -9.7668      1.00000
     59      -9.7515      1.00000
     60      -9.6999      1.00000
     61      -9.6984      1.00000
     62      -9.6610      1.00000
     63      -9.3564      1.00000
     64      -9.3511      1.00000
     65      -9.3152      1.00000
     66      -9.0411      1.00000
     67      -8.9637      1.00000
     68      -8.9497      1.00000
     69      -8.7989      1.00000
     70      -8.5948      1.00000
     71      -8.5574      1.00000
     72      -8.3981      1.00000
     73      -8.3645      1.00000
     74      -8.3257      1.00000
     75      -8.3081      1.00000
     76      -8.2603      1.00000
     77      -8.2582      1.00000
     78      -8.2366      1.00000
     79      -7.9044      1.00000
     80      -7.6515      1.00000
     81      -7.5507      1.00000
     82      -7.3881      1.00000
     83      -7.3509      1.00000
     84      -7.2330      1.00000
     85      -7.0957      1.00000
     86      -7.0386      1.00000
     87      -6.9335      1.00000
     88      -6.8480      1.00000
     89      -6.6135      1.00000
     90      -6.5611      1.00000
     91      -6.2709      1.00000
     92      -6.0444      1.00000
     93      -5.9519      1.00000
     94      -5.6635      1.00000
     95      -5.6225      1.00000
     96      -5.4643      1.00000
     97      -5.3210      1.00000
     98      -5.2793      1.00000
     99      -5.2148      1.00000
    100      -5.1939      1.00000
    101      -4.5103      1.00000
    102      -4.2093      1.00000
    103      -4.0608      1.00000
    104      -3.9902      1.00000
    105      -3.6952      1.00000
    106      -3.4997      1.00000
    107      -1.9486      0.00000
    108      -1.8978      0.00000
    109      -1.3416      0.00000
    110      -1.0868      0.00000
    111      -1.0597      0.00000
    112      -0.8024      0.00000
    113      -0.6790      0.00000
    114      -0.6491      0.00000
    115      -0.6096      0.00000
    116      -0.1083      0.00000
    117       0.2126      0.00000
    118       0.3287      0.00000
    119       0.6942      0.00000
    120       0.8884      0.00000
    121       1.1254      0.00000
    122       1.1963      0.00000
    123       1.3262      0.00000
    124       1.4201      0.00000
    125       1.5512      0.00000
    126       1.5730      0.00000
    127       1.6765      0.00000
    128       1.8079      0.00000
    129       1.8786      0.00000
    130       2.0518      0.00000
    131       2.1197      0.00000
    132       2.3243      0.00000
    133       2.3569      0.00000
    134       2.3932      0.00000
    135       2.5426      0.00000
    136       2.6277      0.00000
    137       2.7263      0.00000
    138       2.7539      0.00000
    139       2.8198      0.00000
    140       2.8741      0.00000
    141       3.0366      0.00000
    142       3.0521      0.00000
    143       3.1590      0.00000
    144       3.2604      0.00000
    145       3.3580      0.00000
    146       3.4118      0.00000
    147       3.4285      0.00000
    148       3.5568      0.00000
    149       3.5734      0.00000
    150       3.5915      0.00000
    151       3.6552      0.00000
    152       3.6731      0.00000
    153       3.7757      0.00000
    154       3.7938      0.00000
    155       3.8012      0.00000
    156       3.8929      0.00000
    157       3.9168      0.00000
    158       3.9973      0.00000
    159       4.2084      0.00000
    160       4.2252      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3164      1.00000
      2     -21.9618      1.00000
      3     -21.8924      1.00000
      4     -21.3799      1.00000
      5     -21.3504      1.00000
      6     -20.8390      1.00000
      7     -20.7736      1.00000
      8     -20.6234      1.00000
      9     -20.0767      1.00000
     10     -20.0709      1.00000
     11     -19.7163      1.00000
     12     -19.6916      1.00000
     13     -18.9959      1.00000
     14     -18.9900      1.00000
     15     -18.6398      1.00000
     16     -18.6238      1.00000
     17     -18.4623      1.00000
     18     -17.6760      1.00000
     19     -17.6252      1.00000
     20     -17.6225      1.00000
     21     -17.5806      1.00000
     22     -17.1264      1.00000
     23     -17.1048      1.00000
     24     -16.9614      1.00000
     25     -16.0014      1.00000
     26     -15.9288      1.00000
     27     -15.5855      1.00000
     28     -15.5852      1.00000
     29     -15.2876      1.00000
     30     -14.8641      1.00000
     31     -14.8367      1.00000
     32     -14.5800      1.00000
     33     -14.5381      1.00000
     34     -14.1682      1.00000
     35     -14.1546      1.00000
     36     -13.1486      1.00000
     37     -13.1006      1.00000
     38     -13.0308      1.00000
     39     -13.0208      1.00000
     40     -12.7102      1.00000
     41     -12.7060      1.00000
     42     -12.3407      1.00000
     43     -12.3094      1.00000
     44     -11.6362      1.00000
     45     -11.6225      1.00000
     46     -11.5717      1.00000
     47     -10.9493      1.00000
     48     -10.9161      1.00000
     49     -10.6335      1.00000
     50     -10.6261      1.00000
     51     -10.5477      1.00000
     52     -10.4992      1.00000
     53     -10.4989      1.00000
     54     -10.4410      1.00000
     55     -10.3621      1.00000
     56     -10.0987      1.00000
     57      -9.9024      1.00000
     58      -9.6106      1.00000
     59      -9.5582      1.00000
     60      -9.4522      1.00000
     61      -9.4120      1.00000
     62      -9.4054      1.00000
     63      -9.3784      1.00000
     64      -9.3784      1.00000
     65      -9.2865      1.00000
     66      -9.1692      1.00000
     67      -9.1437      1.00000
     68      -9.1152      1.00000
     69      -8.8647      1.00000
     70      -8.8571      1.00000
     71      -8.8150      1.00000
     72      -8.5964      1.00000
     73      -8.4797      1.00000
     74      -8.1992      1.00000
     75      -8.1637      1.00000
     76      -8.0084      1.00000
     77      -7.9650      1.00000
     78      -7.8527      1.00000
     79      -7.8425      1.00000
     80      -7.7060      1.00000
     81      -7.6990      1.00000
     82      -7.6214      1.00000
     83      -7.4494      1.00000
     84      -7.2998      1.00000
     85      -7.2542      1.00000
     86      -6.9074      1.00000
     87      -6.8936      1.00000
     88      -6.5885      1.00000
     89      -6.5512      1.00000
     90      -6.4090      1.00000
     91      -6.2530      1.00000
     92      -6.2324      1.00000
     93      -6.2062      1.00000
     94      -6.0237      1.00000
     95      -5.5511      1.00000
     96      -5.4898      1.00000
     97      -5.3516      1.00000
     98      -5.2206      1.00000
     99      -4.9796      1.00000
    100      -4.7337      1.00000
    101      -4.6789      1.00000
    102      -4.3887      1.00000
    103      -4.2047      1.00000
    104      -3.8727      1.00000
    105      -3.5470      1.00000
    106      -3.5119      1.00000
    107      -2.2580      0.00000
    108      -1.4595      0.00000
    109      -1.3726      0.00000
    110      -1.2438      0.00000
    111      -1.1002      0.00000
    112      -0.9471      0.00000
    113      -0.8658      0.00000
    114      -0.8054      0.00000
    115      -0.1392      0.00000
    116       0.1096      0.00000
    117       0.2389      0.00000
    118       0.3765      0.00000
    119       0.6516      0.00000
    120       0.8337      0.00000
    121       0.9338      0.00000
    122       1.0639      0.00000
    123       1.2325      0.00000
    124       1.4487      0.00000
    125       1.5474      0.00000
    126       1.7629      0.00000
    127       1.7897      0.00000
    128       1.8705      0.00000
    129       1.9662      0.00000
    130       2.0439      0.00000
    131       2.1729      0.00000
    132       2.1913      0.00000
    133       2.4081      0.00000
    134       2.4538      0.00000
    135       2.5276      0.00000
    136       2.6008      0.00000
    137       2.6360      0.00000
    138       2.6940      0.00000
    139       2.7652      0.00000
    140       2.8318      0.00000
    141       2.9458      0.00000
    142       3.0727      0.00000
    143       3.1976      0.00000
    144       3.2052      0.00000
    145       3.2533      0.00000
    146       3.3082      0.00000
    147       3.3225      0.00000
    148       3.4638      0.00000
    149       3.4952      0.00000
    150       3.6952      0.00000
    151       3.7101      0.00000
    152       3.7278      0.00000
    153       3.8551      0.00000
    154       3.9110      0.00000
    155       3.9349      0.00000
    156       3.9738      0.00000
    157       4.0073      0.00000
    158       4.0349      0.00000
    159       4.0443      0.00000
    160       4.0529      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2095      1.00000
      2     -22.1163      1.00000
      3     -21.9556      1.00000
      4     -21.4034      1.00000
      5     -21.0490      1.00000
      6     -21.0129      1.00000
      7     -20.5000      1.00000
      8     -20.4604      1.00000
      9     -20.2943      1.00000
     10     -20.2749      1.00000
     11     -19.9568      1.00000
     12     -19.8910      1.00000
     13     -18.8820      1.00000
     14     -18.8131      1.00000
     15     -18.3529      1.00000
     16     -18.3065      1.00000
     17     -18.1529      1.00000
     18     -18.1355      1.00000
     19     -17.8269      1.00000
     20     -17.7891      1.00000
     21     -17.2525      1.00000
     22     -17.2413      1.00000
     23     -17.1657      1.00000
     24     -17.1326      1.00000
     25     -16.1094      1.00000
     26     -15.8849      1.00000
     27     -15.8697      1.00000
     28     -15.8344      1.00000
     29     -15.2376      1.00000
     30     -14.5551      1.00000
     31     -14.5272      1.00000
     32     -14.2814      1.00000
     33     -13.9646      1.00000
     34     -13.9570      1.00000
     35     -13.8214      1.00000
     36     -13.8052      1.00000
     37     -13.6153      1.00000
     38     -13.5713      1.00000
     39     -13.3690      1.00000
     40     -12.6340      1.00000
     41     -12.1819      1.00000
     42     -12.1336      1.00000
     43     -12.0717      1.00000
     44     -12.0193      1.00000
     45     -11.6711      1.00000
     46     -11.6575      1.00000
     47     -11.1398      1.00000
     48     -11.1191      1.00000
     49     -10.7947      1.00000
     50     -10.7309      1.00000
     51     -10.5290      1.00000
     52     -10.2106      1.00000
     53     -10.2057      1.00000
     54     -10.1634      1.00000
     55     -10.0188      1.00000
     56     -10.0038      1.00000
     57      -9.9907      1.00000
     58      -9.8021      1.00000
     59      -9.7986      1.00000
     60      -9.7636      1.00000
     61      -9.7589      1.00000
     62      -9.4545      1.00000
     63      -9.4169      1.00000
     64      -9.0804      1.00000
     65      -9.0740      1.00000
     66      -9.0414      1.00000
     67      -8.9566      1.00000
     68      -8.8766      1.00000
     69      -8.7135      1.00000
     70      -8.7012      1.00000
     71      -8.5663      1.00000
     72      -8.5433      1.00000
     73      -8.4994      1.00000
     74      -8.4641      1.00000
     75      -8.4538      1.00000
     76      -8.2601      1.00000
     77      -8.1253      1.00000
     78      -8.0430      1.00000
     79      -7.9171      1.00000
     80      -7.8633      1.00000
     81      -7.6148      1.00000
     82      -7.5493      1.00000
     83      -7.4896      1.00000
     84      -7.2694      1.00000
     85      -6.9977      1.00000
     86      -6.9252      1.00000
     87      -6.8839      1.00000
     88      -6.5338      1.00000
     89      -6.4883      1.00000
     90      -6.4613      1.00000
     91      -6.4099      1.00000
     92      -5.9845      1.00000
     93      -5.8979      1.00000
     94      -5.7852      1.00000
     95      -5.7594      1.00000
     96      -5.4332      1.00000
     97      -5.3300      1.00000
     98      -5.2310      1.00000
     99      -5.2187      1.00000
    100      -5.1884      1.00000
    101      -4.6931      1.00000
    102      -4.4229      1.00000
    103      -4.2112      1.00000
    104      -3.8359      1.00000
    105      -3.5311      1.00000
    106      -3.2750      1.00000
    107      -2.5328      0.00000
    108      -1.4608      0.00000
    109      -1.2683      0.00000
    110      -1.2046      0.00000
    111      -1.1743      0.00000
    112      -0.7218      0.00000
    113      -0.5059      0.00000
    114      -0.4140      0.00000
    115      -0.3415      0.00000
    116      -0.1478      0.00000
    117      -0.0055      0.00000
    118       0.1940      0.00000
    119       0.5602      0.00000
    120       0.6099      0.00000
    121       0.7961      0.00000
    122       0.9075      0.00000
    123       1.1326      0.00000
    124       1.4921      0.00000
    125       1.6354      0.00000
    126       1.8489      0.00000
    127       1.9248      0.00000
    128       2.1016      0.00000
    129       2.1136      0.00000
    130       2.1439      0.00000
    131       2.1861      0.00000
    132       2.2764      0.00000
    133       2.3348      0.00000
    134       2.4711      0.00000
    135       2.5800      0.00000
    136       2.6537      0.00000
    137       2.8504      0.00000
    138       2.8673      0.00000
    139       2.8901      0.00000
    140       2.9968      0.00000
    141       3.0142      0.00000
    142       3.1378      0.00000
    143       3.1768      0.00000
    144       3.2220      0.00000
    145       3.2676      0.00000
    146       3.2815      0.00000
    147       3.2974      0.00000
    148       3.3438      0.00000
    149       3.4213      0.00000
    150       3.4460      0.00000
    151       3.5521      0.00000
    152       3.6197      0.00000
    153       3.7031      0.00000
    154       3.7285      0.00000
    155       3.7700      0.00000
    156       3.8934      0.00000
    157       3.9306      0.00000
    158       4.0002      0.00000
    159       4.1263      0.00000
    160       4.2179      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3162      1.00000
      2     -21.9633      1.00000
      3     -21.8910      1.00000
      4     -21.3837      1.00000
      5     -21.3472      1.00000
      6     -20.8385      1.00000
      7     -20.7720      1.00000
      8     -20.6240      1.00000
      9     -20.0890      1.00000
     10     -20.0601      1.00000
     11     -19.7178      1.00000
     12     -19.6889      1.00000
     13     -19.0095      1.00000
     14     -18.9782      1.00000
     15     -18.6497      1.00000
     16     -18.6168      1.00000
     17     -18.4600      1.00000
     18     -17.6605      1.00000
     19     -17.6463      1.00000
     20     -17.6103      1.00000
     21     -17.5776      1.00000
     22     -17.1376      1.00000
     23     -17.0973      1.00000
     24     -16.9667      1.00000
     25     -16.0092      1.00000
     26     -15.9224      1.00000
     27     -15.5986      1.00000
     28     -15.5750      1.00000
     29     -15.2798      1.00000
     30     -14.8770      1.00000
     31     -14.8298      1.00000
     32     -14.5749      1.00000
     33     -14.5370      1.00000
     34     -14.1645      1.00000
     35     -14.1602      1.00000
     36     -13.1632      1.00000
     37     -13.0954      1.00000
     38     -13.0232      1.00000
     39     -13.0188      1.00000
     40     -12.7183      1.00000
     41     -12.6949      1.00000
     42     -12.3406      1.00000
     43     -12.3134      1.00000
     44     -11.6329      1.00000
     45     -11.6234      1.00000
     46     -11.5699      1.00000
     47     -10.9413      1.00000
     48     -10.9233      1.00000
     49     -10.6700      1.00000
     50     -10.5904      1.00000
     51     -10.5735      1.00000
     52     -10.5018      1.00000
     53     -10.4892      1.00000
     54     -10.4401      1.00000
     55     -10.3560      1.00000
     56     -10.1030      1.00000
     57      -9.8966      1.00000
     58      -9.6086      1.00000
     59      -9.5513      1.00000
     60      -9.4541      1.00000
     61      -9.4198      1.00000
     62      -9.4094      1.00000
     63      -9.3793      1.00000
     64      -9.3724      1.00000
     65      -9.2668      1.00000
     66      -9.1668      1.00000
     67      -9.1428      1.00000
     68      -9.1163      1.00000
     69      -8.8671      1.00000
     70      -8.8611      1.00000
     71      -8.8021      1.00000
     72      -8.5957      1.00000
     73      -8.5265      1.00000
     74      -8.1944      1.00000
     75      -8.1715      1.00000
     76      -8.0756      1.00000
     77      -7.8584      1.00000
     78      -7.8375      1.00000
     79      -7.8243      1.00000
     80      -7.7119      1.00000
     81      -7.6973      1.00000
     82      -7.5968      1.00000
     83      -7.5309      1.00000
     84      -7.3500      1.00000
     85      -7.1682      1.00000
     86      -6.9070      1.00000
     87      -6.8972      1.00000
     88      -6.5928      1.00000
     89      -6.5510      1.00000
     90      -6.4074      1.00000
     91      -6.3027      1.00000
     92      -6.2478      1.00000
     93      -6.2030      1.00000
     94      -6.0040      1.00000
     95      -5.5327      1.00000
     96      -5.4652      1.00000
     97      -5.3147      1.00000
     98      -5.2097      1.00000
     99      -5.0483      1.00000
    100      -4.7249      1.00000
    101      -4.6723      1.00000
    102      -4.4254      1.00000
    103      -4.1964      1.00000
    104      -3.8446      1.00000
    105      -3.6362      1.00000
    106      -3.4175      1.00000
    107      -2.2942      0.00000
    108      -1.5119      0.00000
    109      -1.2719      0.00000
    110      -1.2642      0.00000
    111      -1.0364      0.00000
    112      -0.9791      0.00000
    113      -0.8701      0.00000
    114      -0.8019      0.00000
    115      -0.2620      0.00000
    116       0.2017      0.00000
    117       0.2369      0.00000
    118       0.3594      0.00000
    119       0.6907      0.00000
    120       0.8916      0.00000
    121       0.9218      0.00000
    122       1.0407      0.00000
    123       1.1675      0.00000
    124       1.5092      0.00000
    125       1.5569      0.00000
    126       1.7080      0.00000
    127       1.7760      0.00000
    128       1.8306      0.00000
    129       1.9616      0.00000
    130       1.9815      0.00000
    131       2.1826      0.00000
    132       2.2580      0.00000
    133       2.4120      0.00000
    134       2.4584      0.00000
    135       2.5288      0.00000
    136       2.5967      0.00000
    137       2.6148      0.00000
    138       2.6973      0.00000
    139       2.7458      0.00000
    140       2.8606      0.00000
    141       3.0337      0.00000
    142       3.0714      0.00000
    143       3.1853      0.00000
    144       3.2382      0.00000
    145       3.2559      0.00000
    146       3.2923      0.00000
    147       3.3377      0.00000
    148       3.4493      0.00000
    149       3.5168      0.00000
    150       3.6901      0.00000
    151       3.7129      0.00000
    152       3.7500      0.00000
    153       3.8290      0.00000
    154       3.8860      0.00000
    155       3.9235      0.00000
    156       3.9724      0.00000
    157       4.0025      0.00000
    158       4.0330      0.00000
    159       4.0378      0.00000
    160       4.0908      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3883      1.00000
      2     -21.8296      1.00000
      3     -21.6404      1.00000
      4     -21.6053      1.00000
      5     -21.2779      1.00000
      6     -21.2307      1.00000
      7     -21.0553      1.00000
      8     -20.1707      1.00000
      9     -20.1244      1.00000
     10     -19.6165      1.00000
     11     -19.5905      1.00000
     12     -19.4146      1.00000
     13     -19.0941      1.00000
     14     -19.0554      1.00000
     15     -19.0512      1.00000
     16     -19.0381      1.00000
     17     -18.3665      1.00000
     18     -18.3469      1.00000
     19     -18.0158      1.00000
     20     -17.0721      1.00000
     21     -17.0230      1.00000
     22     -16.9499      1.00000
     23     -16.9362      1.00000
     24     -16.4760      1.00000
     25     -16.4637      1.00000
     26     -15.6093      1.00000
     27     -15.6088      1.00000
     28     -15.2493      1.00000
     29     -15.2375      1.00000
     30     -15.1910      1.00000
     31     -15.1010      1.00000
     32     -15.0682      1.00000
     33     -14.6985      1.00000
     34     -14.6978      1.00000
     35     -13.7255      1.00000
     36     -13.7253      1.00000
     37     -13.2349      1.00000
     38     -12.6249      1.00000
     39     -12.5808      1.00000
     40     -12.4540      1.00000
     41     -12.4487      1.00000
     42     -12.1056      1.00000
     43     -12.1009      1.00000
     44     -11.7225      1.00000
     45     -11.6837      1.00000
     46     -11.2468      1.00000
     47     -11.2262      1.00000
     48     -11.0172      1.00000
     49     -11.0055      1.00000
     50     -10.9281      1.00000
     51     -10.8994      1.00000
     52     -10.6367      1.00000
     53     -10.1726      1.00000
     54     -10.1494      1.00000
     55     -10.0849      1.00000
     56      -9.9917      1.00000
     57      -9.6963      1.00000
     58      -9.6896      1.00000
     59      -9.6695      1.00000
     60      -9.5928      1.00000
     61      -9.5689      1.00000
     62      -9.5531      1.00000
     63      -9.3125      1.00000
     64      -9.2998      1.00000
     65      -9.2827      1.00000
     66      -9.2450      1.00000
     67      -9.1215      1.00000
     68      -9.1126      1.00000
     69      -9.1106      1.00000
     70      -8.9386      1.00000
     71      -8.8773      1.00000
     72      -8.6069      1.00000
     73      -8.5879      1.00000
     74      -8.2714      1.00000
     75      -8.1019      1.00000
     76      -7.8698      1.00000
     77      -7.8430      1.00000
     78      -7.7909      1.00000
     79      -7.7651      1.00000
     80      -7.7562      1.00000
     81      -7.4488      1.00000
     82      -7.3354      1.00000
     83      -7.3240      1.00000
     84      -7.2664      1.00000
     85      -7.1619      1.00000
     86      -7.0174      1.00000
     87      -6.9861      1.00000
     88      -6.7180      1.00000
     89      -6.6903      1.00000
     90      -6.6314      1.00000
     91      -6.5903      1.00000
     92      -6.1185      1.00000
     93      -6.0605      1.00000
     94      -6.0449      1.00000
     95      -6.0304      1.00000
     96      -5.7477      1.00000
     97      -4.9764      1.00000
     98      -4.8408      1.00000
     99      -4.7094      1.00000
    100      -4.6738      1.00000
    101      -4.4852      1.00000
    102      -4.3543      1.00000
    103      -4.1133      1.00000
    104      -4.0569      1.00000
    105      -3.7563      1.00000
    106      -3.4670      1.00000
    107      -1.9529      0.00000
    108      -1.7728      0.00000
    109      -1.4816      0.00000
    110      -1.3576      0.00000
    111      -1.3376      0.00000
    112      -1.2945      0.00000
    113      -0.6799      0.00000
    114      -0.4733      0.00000
    115      -0.2380      0.00000
    116       0.0517      0.00000
    117       0.5875      0.00000
    118       0.6895      0.00000
    119       0.7679      0.00000
    120       1.0212      0.00000
    121       1.0939      0.00000
    122       1.1756      0.00000
    123       1.2506      0.00000
    124       1.3337      0.00000
    125       1.4320      0.00000
    126       1.5956      0.00000
    127       1.7612      0.00000
    128       1.8402      0.00000
    129       1.8565      0.00000
    130       1.8855      0.00000
    131       2.0461      0.00000
    132       2.2158      0.00000
    133       2.2299      0.00000
    134       2.2817      0.00000
    135       2.4766      0.00000
    136       2.6095      0.00000
    137       2.6379      0.00000
    138       2.7479      0.00000
    139       2.7810      0.00000
    140       2.8321      0.00000
    141       2.8429      0.00000
    142       2.8678      0.00000
    143       2.9480      0.00000
    144       3.0792      0.00000
    145       3.3140      0.00000
    146       3.3534      0.00000
    147       3.4004      0.00000
    148       3.4129      0.00000
    149       3.4164      0.00000
    150       3.5837      0.00000
    151       3.6417      0.00000
    152       3.6639      0.00000
    153       3.7233      0.00000
    154       3.8892      0.00000
    155       3.9224      0.00000
    156       3.9522      0.00000
    157       4.1100      0.00000
    158       4.2018      0.00000
    159       4.2402      0.00000
    160       4.2781      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2086      1.00000
      2     -22.1176      1.00000
      3     -21.9554      1.00000
      4     -21.4036      1.00000
      5     -21.0451      1.00000
      6     -21.0166      1.00000
      7     -20.4953      1.00000
      8     -20.4651      1.00000
      9     -20.2850      1.00000
     10     -20.2831      1.00000
     11     -19.9561      1.00000
     12     -19.8929      1.00000
     13     -18.8833      1.00000
     14     -18.8155      1.00000
     15     -18.3369      1.00000
     16     -18.3178      1.00000
     17     -18.1487      1.00000
     18     -18.1412      1.00000
     19     -17.8152      1.00000
     20     -17.7971      1.00000
     21     -17.2587      1.00000
     22     -17.2389      1.00000
     23     -17.1595      1.00000
     24     -17.1360      1.00000
     25     -16.1156      1.00000
     26     -15.8802      1.00000
     27     -15.8690      1.00000
     28     -15.8417      1.00000
     29     -15.2307      1.00000
     30     -14.5516      1.00000
     31     -14.5330      1.00000
     32     -14.2758      1.00000
     33     -13.9748      1.00000
     34     -13.9511      1.00000
     35     -13.8254      1.00000
     36     -13.8031      1.00000
     37     -13.6044      1.00000
     38     -13.5790      1.00000
     39     -13.3690      1.00000
     40     -12.6380      1.00000
     41     -12.1697      1.00000
     42     -12.1432      1.00000
     43     -12.0680      1.00000
     44     -12.0211      1.00000
     45     -11.6649      1.00000
     46     -11.6600      1.00000
     47     -11.1382      1.00000
     48     -11.1271      1.00000
     49     -10.7916      1.00000
     50     -10.7353      1.00000
     51     -10.5359      1.00000
     52     -10.2081      1.00000
     53     -10.2018      1.00000
     54     -10.1691      1.00000
     55     -10.0226      1.00000
     56      -9.9932      1.00000
     57      -9.9901      1.00000
     58      -9.8051      1.00000
     59      -9.7957      1.00000
     60      -9.7659      1.00000
     61      -9.7583      1.00000
     62      -9.4562      1.00000
     63      -9.4170      1.00000
     64      -9.0849      1.00000
     65      -9.0462      1.00000
     66      -9.0251      1.00000
     67      -8.9713      1.00000
     68      -8.8973      1.00000
     69      -8.7082      1.00000
     70      -8.6990      1.00000
     71      -8.5622      1.00000
     72      -8.5511      1.00000
     73      -8.4779      1.00000
     74      -8.4603      1.00000
     75      -8.4570      1.00000
     76      -8.3084      1.00000
     77      -8.0947      1.00000
     78      -8.0884      1.00000
     79      -7.9272      1.00000
     80      -7.8315      1.00000
     81      -7.6008      1.00000
     82      -7.5392      1.00000
     83      -7.4423      1.00000
     84      -7.3168      1.00000
     85      -6.9948      1.00000
     86      -6.9201      1.00000
     87      -6.8830      1.00000
     88      -6.5301      1.00000
     89      -6.5158      1.00000
     90      -6.4825      1.00000
     91      -6.4209      1.00000
     92      -5.9272      1.00000
     93      -5.9053      1.00000
     94      -5.7890      1.00000
     95      -5.7753      1.00000
     96      -5.3699      1.00000
     97      -5.3637      1.00000
     98      -5.2203      1.00000
     99      -5.2160      1.00000
    100      -5.1995      1.00000
    101      -4.7219      1.00000
    102      -4.4440      1.00000
    103      -4.1925      1.00000
    104      -3.8222      1.00000
    105      -3.5675      1.00000
    106      -3.2227      1.00000
    107      -2.5639      0.00000
    108      -1.4659      0.00000
    109      -1.2683      0.00000
    110      -1.1871      0.00000
    111      -1.1857      0.00000
    112      -0.6468      0.00000
    113      -0.5536      0.00000
    114      -0.4171      0.00000
    115      -0.3500      0.00000
    116      -0.0792      0.00000
    117      -0.0654      0.00000
    118       0.1258      0.00000
    119       0.5903      0.00000
    120       0.6247      0.00000
    121       0.8558      0.00000
    122       0.9850      0.00000
    123       1.0042      0.00000
    124       1.4947      0.00000
    125       1.6840      0.00000
    126       1.7602      0.00000
    127       1.8578      0.00000
    128       2.1086      0.00000
    129       2.1400      0.00000
    130       2.1896      0.00000
    131       2.2065      0.00000
    132       2.2527      0.00000
    133       2.3483      0.00000
    134       2.4929      0.00000
    135       2.5144      0.00000
    136       2.6605      0.00000
    137       2.8493      0.00000
    138       2.8562      0.00000
    139       2.9499      0.00000
    140       2.9847      0.00000
    141       3.0283      0.00000
    142       3.1335      0.00000
    143       3.1901      0.00000
    144       3.2362      0.00000
    145       3.2409      0.00000
    146       3.2759      0.00000
    147       3.3006      0.00000
    148       3.3529      0.00000
    149       3.4216      0.00000
    150       3.5473      0.00000
    151       3.5636      0.00000
    152       3.6442      0.00000
    153       3.6607      0.00000
    154       3.6997      0.00000
    155       3.7243      0.00000
    156       3.8948      0.00000
    157       3.9504      0.00000
    158       4.0316      0.00000
    159       4.0712      0.00000
    160       4.1798      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2820      1.00000
      2     -22.0773      1.00000
      3     -21.7192      1.00000
      4     -21.6799      1.00000
      5     -20.9819      1.00000
      6     -20.9340      1.00000
      7     -20.6105      1.00000
      8     -20.5779      1.00000
      9     -20.5646      1.00000
     10     -20.0311      1.00000
     11     -19.5130      1.00000
     12     -19.4830      1.00000
     13     -19.3109      1.00000
     14     -19.2981      1.00000
     15     -18.4490      1.00000
     16     -18.4057      1.00000
     17     -17.9274      1.00000
     18     -17.9072      1.00000
     19     -17.7654      1.00000
     20     -17.7203      1.00000
     21     -17.4416      1.00000
     22     -17.4233      1.00000
     23     -17.3374      1.00000
     24     -16.4720      1.00000
     25     -16.4614      1.00000
     26     -15.9696      1.00000
     27     -15.4110      1.00000
     28     -15.4101      1.00000
     29     -15.0962      1.00000
     30     -15.0930      1.00000
     31     -14.8528      1.00000
     32     -14.8408      1.00000
     33     -14.2978      1.00000
     34     -14.2541      1.00000
     35     -13.4445      1.00000
     36     -13.4007      1.00000
     37     -13.1755      1.00000
     38     -13.1744      1.00000
     39     -12.9845      1.00000
     40     -12.9757      1.00000
     41     -12.6111      1.00000
     42     -12.6093      1.00000
     43     -12.1965      1.00000
     44     -11.5804      1.00000
     45     -11.5391      1.00000
     46     -11.3141      1.00000
     47     -11.2836      1.00000
     48     -11.1420      1.00000
     49     -10.6939      1.00000
     50     -10.6647      1.00000
     51     -10.5472      1.00000
     52     -10.3218      1.00000
     53     -10.3142      1.00000
     54     -10.1747      1.00000
     55     -10.1231      1.00000
     56     -10.1093      1.00000
     57      -9.8110      1.00000
     58      -9.7522      1.00000
     59      -9.7520      1.00000
     60      -9.7020      1.00000
     61      -9.6981      1.00000
     62      -9.6457      1.00000
     63      -9.3527      1.00000
     64      -9.3511      1.00000
     65      -9.3199      1.00000
     66      -9.0277      1.00000
     67      -8.9616      1.00000
     68      -8.9577      1.00000
     69      -8.7745      1.00000
     70      -8.5938      1.00000
     71      -8.5883      1.00000
     72      -8.4231      1.00000
     73      -8.3490      1.00000
     74      -8.3237      1.00000
     75      -8.3024      1.00000
     76      -8.2670      1.00000
     77      -8.2558      1.00000
     78      -8.2412      1.00000
     79      -7.9208      1.00000
     80      -7.7339      1.00000
     81      -7.3802      1.00000
     82      -7.3509      1.00000
     83      -7.3257      1.00000
     84      -7.2179      1.00000
     85      -7.1605      1.00000
     86      -7.0647      1.00000
     87      -6.9610      1.00000
     88      -6.9047      1.00000
     89      -6.6161      1.00000
     90      -6.5573      1.00000
     91      -6.2738      1.00000
     92      -5.9966      1.00000
     93      -5.9593      1.00000
     94      -5.6758      1.00000
     95      -5.6494      1.00000
     96      -5.3878      1.00000
     97      -5.3151      1.00000
     98      -5.2943      1.00000
     99      -5.2124      1.00000
    100      -5.2009      1.00000
    101      -4.5134      1.00000
    102      -4.3409      1.00000
    103      -3.9983      1.00000
    104      -3.8873      1.00000
    105      -3.7943      1.00000
    106      -3.4448      1.00000
    107      -2.0366      0.00000
    108      -1.8650      0.00000
    109      -1.2200      0.00000
    110      -1.1852      0.00000
    111      -1.0380      0.00000
    112      -0.7745      0.00000
    113      -0.6791      0.00000
    114      -0.6623      0.00000
    115      -0.6118      0.00000
    116      -0.1016      0.00000
    117       0.2199      0.00000
    118       0.2391      0.00000
    119       0.7696      0.00000
    120       0.9835      0.00000
    121       1.0727      0.00000
    122       1.2390      0.00000
    123       1.2495      0.00000
    124       1.3420      0.00000
    125       1.5744      0.00000
    126       1.5818      0.00000
    127       1.6978      0.00000
    128       1.7971      0.00000
    129       1.9445      0.00000
    130       1.9569      0.00000
    131       2.0815      0.00000
    132       2.2913      0.00000
    133       2.3389      0.00000
    134       2.4141      0.00000
    135       2.5395      0.00000
    136       2.6252      0.00000
    137       2.7631      0.00000
    138       2.8224      0.00000
    139       2.8409      0.00000
    140       2.8596      0.00000
    141       3.0333      0.00000
    142       3.0979      0.00000
    143       3.1486      0.00000
    144       3.2159      0.00000
    145       3.3732      0.00000
    146       3.4124      0.00000
    147       3.4957      0.00000
    148       3.5339      0.00000
    149       3.5873      0.00000
    150       3.6006      0.00000
    151       3.6422      0.00000
    152       3.7307      0.00000
    153       3.7417      0.00000
    154       3.7711      0.00000
    155       3.8117      0.00000
    156       3.8749      0.00000
    157       4.0244      0.00000
    158       4.0823      0.00000
    159       4.1627      0.00000
    160       4.2067      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0439   -7.3898    4.1987   -1.2764   -0.2389   17.5989    0.1473   -0.5323    0.6339   -0.4650
x    -3.0912   -0.0374   -0.0633    0.0617   -0.0091   -2.9778   -0.0111   -0.0070    0.0049    0.0016
x    -0.0966    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0439    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0941   -0.0088    0.0375    0.0376
y    -0.0459   -3.2464   -0.5382   -0.1636   -1.1805   -0.6055
z   204.0439    1.1256   -0.2801    0.0409    0.0091    0.0617    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0775    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1370
z    -0.2841    0.1863   -0.0386    0.0473   -0.1051    0.0013
 total charge-density along one line
x   212.0000  -10.2200    6.1467   -2.0863   -0.4746   19.5157   -0.9961    0.4746   -0.0451   -0.1260
x    -2.6443   -0.0277   -0.0611    0.0846   -0.0533   -2.2247   -0.0251   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0355   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2200    6.1467   -2.0863   -0.4746   19.5157   -0.9961    0.4746   -0.0451   -0.1260
y    -2.6443   -0.0277   -0.0611    0.0846   -0.0533   -2.2247   -0.0251   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0355   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4935  189.2927 -170.3599  153.6260 -139.3943  125.3780 -110.0598   93.9141  -78.3041
z    64.1006  -51.4550   40.3952  -31.1919   24.0951  -18.9124   15.0021  -11.6953    8.6977   -6.1079
z     4.1201   -2.7496    1.8137   -1.1050    0.5353   -0.1234   -0.1144    0.2303   -0.3108    0.4006
z    -0.4768    0.4936   -0.4407    0.3556   -0.2864    0.2511   -0.2331    0.2085   -0.1708    0.1317
z    -0.1036    0.0879   -0.0767    0.0637   -0.0491    0.0374   -0.0309    0.0276   -0.0243    0.0198
z    -0.0151    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.842   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.103   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.157   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.836  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.842   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.103   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.157   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.836  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.312   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.031   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.312   0.000   0.630   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.312   0.000   0.000   0.158   0.000  -0.192   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.415   0.000   0.077   0.585  -0.239   0.000   0.057   0.000   0.000
  0.000  -0.312   0.000   0.630   0.000   0.000  -0.192   0.000   0.379   0.000   0.000   0.000  -0.051   0.000   0.069   0.006
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.041   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.369  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.031   0.000   0.010   0.082   0.000  -0.239   0.000  -0.047  -0.420   0.176   0.000  -0.033   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.057   0.000   0.053   0.283  -0.033   0.000   0.264   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.645   0.262   8.029   8.936
  2        0.521   0.027   0.000   0.549
  3        0.521   0.027   0.000   0.549
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.647
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.864   1.783   0.000   2.646
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.783   0.000   2.647
 15        0.864   1.784   0.000   2.647
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.648
 19        0.864   1.782   0.000   2.646
 20        0.864   1.783   0.000   2.646
 21        0.864   1.781   0.000   2.645
 22        0.864   1.770   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.782   0.000   2.646
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.782   0.000   2.646
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.781   0.000   2.645
 33        0.864   1.781   0.000   2.645
 34        0.864   1.782   0.000   2.646
 35        0.864   1.781   0.000   2.645
 36        0.864   1.770   0.000   2.634
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.646
 39        0.864   1.783   0.000   2.647
 40        0.863   1.785   0.000   2.648
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.647
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.646
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.646
 48        0.864   1.784   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.647
------------------------------------------------
tot       44.864  89.410   8.029 142.303
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  111.31: CPU time   56.50
    FORLOC:  VPU time    1.24: CPU time    1.24
    FORNL :  VPU time  434.56: CPU time  218.68
    STRESS:  VPU time 1311.18: CPU time  662.01
    FORCOR:  VPU time    8.68: CPU time    8.68
    FORHAR:  VPU time    2.30: CPU time    2.30
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force = 0.1242309E-05[ 0.730E-06, 0.175E-05]  d Energy = 0.7818233E-05-0.658E-05
 d Force = 0.5084970E-01[ 0.509E-01, 0.508E-01]  d Ewald  =-0.1396568E+01 0.145E+01


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726321 eV

  energy  without entropy=     -471.726321  energy(sigma->0) =     -471.726321
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40819.51  40774.13 -47517.11    -39.30      0.00      0.00
  Hartree  40244.81  40225.70 -39503.37    -16.55      0.00      0.00
  E(xc)     -779.39   -779.67   -807.31     -0.25      0.00      0.00
  Local   -83348.52 -83293.02  84335.43     48.06      0.00      0.00
  n-local   -216.73   -215.59   -203.31      0.72      0.00      0.00
  augment     20.07     22.06     17.82      1.73      0.00      0.00
  Kinetic   3162.07   3175.59   3583.79      3.36      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.52     -0.60     -0.13     -0.07      0.00      0.00
  in kB       -0.32     -0.37     -0.08     -0.04      0.00      0.00
  external pressure =       -0.25 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.346922107  0.001348511  0.000000000     0.080986739  0.046745990  0.000000000
    -6.172299852 10.693418537  0.000000000    -0.000010213  0.093509569  0.000000000
     0.000000000  0.000000000 19.979394216     0.000000000  0.000000000  0.050051568

  length of vectors
    12.346922181 12.346922105 19.979394216     0.093509569  0.093509570  0.050051568


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.467E-05 -.490E-04 -.951E+03   0.451E-05 -.279E-04 0.960E+03   -.593E-20 0.157E-23 -.869E+01   -.382E-07 0.222E-07 0.160E-02
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.155E+01 -.892E+00 -.253E+01   0.182E-03 -.106E-03 0.179E-03
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.155E+01 0.892E+00 -.253E+01   -.182E-03 0.106E-03 0.179E-03
   -.204E+01 0.118E+01 0.163E+02   0.204E+01 -.118E+01 -.163E+02   -.172E-02 0.991E-03 -.235E-01   -.739E-03 0.423E-03 -.238E-04
   0.617E+01 0.686E+01 0.194E+02   -.617E+01 -.688E+01 -.193E+02   0.168E-02 0.194E-01 -.276E-01   -.479E-03 0.185E-03 0.114E-04
   0.112E+02 0.508E+01 0.161E+02   -.112E+02 -.509E+01 -.161E+02   0.217E-01 0.756E-02 -.488E-01   -.520E-03 0.436E-03 0.444E-04
   0.474E+01 -.893E+00 0.125E+02   -.475E+01 0.901E+00 -.125E+02   0.160E-01 -.828E-02 -.190E-01   -.633E-03 0.298E-03 0.616E-04
   -.307E+01 -.254E+01 0.126E+02   0.307E+01 0.254E+01 -.126E+02   -.417E-03 0.216E-02 -.126E-01   -.682E-03 0.389E-03 0.671E-05
   0.663E+00 0.393E+01 0.126E+02   -.662E+00 -.393E+01 -.126E+02   -.208E-02 -.720E-03 -.126E-01   -.683E-03 0.389E-03 0.343E-05
   0.242E+01 0.188E+02 0.240E+02   -.241E+01 -.189E+02 -.240E+02   -.700E-03 0.104E+00 -.474E-01   -.514E-03 0.654E-03 0.534E-04
   0.227E+02 0.214E+02 0.422E+02   -.228E+02 -.216E+02 -.422E+02   0.773E-01 0.263E+00 -.608E-01   -.790E-03 0.383E-03 0.190E-03
   0.268E+02 -.344E+01 0.257E+02   -.271E+02 0.355E+01 -.256E+02   0.271E+00 -.110E+00 -.330E-01   -.513E-03 0.142E-03 -.453E-04
   0.916E+01 -.529E+01 0.136E+02   -.920E+01 0.531E+01 -.136E+02   0.425E-01 -.246E-01 -.121E-01   -.604E-03 0.343E-03 -.367E-04
   0.314E+01 -.366E+01 0.125E+02   -.316E+01 0.366E+01 -.125E+02   0.152E-01 -.971E-02 -.190E-01   -.577E-03 0.394E-03 0.540E-04
   -.590E+01 0.136E+02 0.162E+02   0.591E+01 -.137E+02 -.161E+02   -.108E-02 0.711E-01 -.507E-01   -.770E-03 0.258E-03 0.121E-04
   -.119E+02 0.363E+02 0.478E+02   0.119E+02 -.369E+02 -.481E+02   -.296E-01 0.613E+00 0.295E+00   -.830E-03 0.237E-03 0.135E-03
   0.237E+02 -.137E+02 0.942E+02   -.244E+02 0.141E+02 -.962E+02   0.641E+00 -.370E+00 0.206E+01   -.307E-03 0.175E-03 0.301E-03
   0.164E+02 -.215E+02 0.257E+02   -.166E+02 0.217E+02 -.256E+02   0.230E+00 -.180E+00 -.330E-01   -.382E-03 0.366E-03 -.497E-04
   0.120E+01 -.122E+02 0.161E+02   -.121E+01 0.123E+02 -.161E+02   0.430E-02 -.226E-01 -.488E-01   -.634E-03 0.231E-03 0.394E-04
   -.413E+01 0.191E+01 0.116E+02   0.413E+01 -.192E+01 -.116E+02   0.879E-03 0.878E-02 -.436E-01   -.613E-03 0.302E-03 0.114E-04
   -.193E+02 0.111E+02 0.218E+02   0.193E+02 -.112E+02 -.218E+02   -.489E-01 0.282E-01 -.419E-01   -.581E-03 0.339E-03 -.104E-03
   -.374E+02 -.788E+01 0.478E+02   0.379E+02 0.816E+01 -.481E+02   -.546E+00 -.281E+00 0.295E+00   -.617E-03 0.599E-03 0.138E-03
   -.716E+01 -.304E+02 0.422E+02   0.734E+01 0.306E+02 -.422E+02   -.189E+00 -.198E+00 -.608E-01   -.723E-03 0.488E-03 0.189E-03
   -.286E+01 -.878E+01 0.194E+02   0.288E+01 0.879E+01 -.193E+02   -.159E-01 -.111E-01 -.276E-01   -.397E-03 0.320E-03 0.108E-04
   0.140E+01 -.811E+00 0.135E+02   -.141E+01 0.812E+00 -.134E+02   0.424E-03 -.245E-03 -.180E-01   -.640E-03 0.372E-03 -.508E-06
   -.372E+01 0.262E+01 0.116E+02   0.373E+01 -.262E+01 -.116E+02   -.716E-02 -.515E-02 -.436E-01   -.567E-03 0.384E-03 0.156E-04
   -.148E+02 -.170E+01 0.162E+02   0.148E+02 0.174E+01 -.161E+02   -.621E-01 -.346E-01 -.507E-01   -.607E-03 0.536E-03 0.190E-04
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.906E-01 -.515E-01 -.474E-01   -.822E-03 0.113E-03 0.560E-04
   0.285E+01 0.878E+01 0.194E+02   -.288E+01 -.879E+01 -.193E+02   0.159E-01 0.111E-01 -.276E-01   0.397E-03 -.320E-03 0.108E-04
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.906E-01 0.515E-01 -.474E-01   0.822E-03 -.113E-03 0.560E-04
   0.148E+02 0.170E+01 0.162E+02   -.148E+02 -.174E+01 -.161E+02   0.621E-01 0.346E-01 -.507E-01   0.607E-03 -.536E-03 0.190E-04
   0.372E+01 -.262E+01 0.116E+02   -.373E+01 0.262E+01 -.116E+02   0.716E-02 0.515E-02 -.436E-01   0.567E-03 -.384E-03 0.156E-04
   -.140E+01 0.811E+00 0.135E+02   0.141E+01 -.812E+00 -.134E+02   -.424E-03 0.245E-03 -.180E-01   0.640E-03 -.372E-03 -.508E-06
   -.120E+01 0.122E+02 0.161E+02   0.121E+01 -.123E+02 -.161E+02   -.430E-02 0.226E-01 -.488E-01   0.634E-03 -.231E-03 0.394E-04
   0.716E+01 0.304E+02 0.422E+02   -.734E+01 -.306E+02 -.422E+02   0.189E+00 0.198E+00 -.608E-01   0.723E-03 -.488E-03 0.189E-03
   0.374E+02 0.788E+01 0.478E+02   -.379E+02 -.816E+01 -.481E+02   0.546E+00 0.281E+00 0.295E+00   0.617E-03 -.599E-03 0.138E-03
   0.193E+02 -.111E+02 0.218E+02   -.193E+02 0.112E+02 -.218E+02   0.489E-01 -.282E-01 -.419E-01   0.581E-03 -.339E-03 -.104E-03
   0.413E+01 -.191E+01 0.116E+02   -.413E+01 0.192E+01 -.116E+02   -.879E-03 -.878E-02 -.436E-01   0.613E-03 -.302E-03 0.114E-04
   -.314E+01 0.366E+01 0.125E+02   0.316E+01 -.366E+01 -.125E+02   -.152E-01 0.971E-02 -.190E-01   0.577E-03 -.394E-03 0.540E-04
   -.164E+02 0.215E+02 0.257E+02   0.166E+02 -.217E+02 -.256E+02   -.230E+00 0.180E+00 -.330E-01   0.382E-03 -.366E-03 -.497E-04
   -.237E+02 0.137E+02 0.942E+02   0.244E+02 -.141E+02 -.962E+02   -.641E+00 0.370E+00 0.206E+01   0.307E-03 -.175E-03 0.301E-03
   0.119E+02 -.363E+02 0.478E+02   -.119E+02 0.369E+02 -.481E+02   0.296E-01 -.613E+00 0.295E+00   0.830E-03 -.237E-03 0.135E-03
   0.590E+01 -.136E+02 0.162E+02   -.591E+01 0.137E+02 -.161E+02   0.108E-02 -.711E-01 -.507E-01   0.770E-03 -.258E-03 0.121E-04
   -.663E+00 -.393E+01 0.126E+02   0.662E+00 0.393E+01 -.126E+02   0.208E-02 0.720E-03 -.126E-01   0.683E-03 -.389E-03 0.343E-05
   -.916E+01 0.529E+01 0.136E+02   0.920E+01 -.531E+01 -.136E+02   -.425E-01 0.246E-01 -.121E-01   0.604E-03 -.343E-03 -.367E-04
   -.268E+02 0.344E+01 0.257E+02   0.271E+02 -.355E+01 -.256E+02   -.271E+00 0.110E+00 -.330E-01   0.513E-03 -.142E-03 -.453E-04
   -.227E+02 -.214E+02 0.422E+02   0.228E+02 0.216E+02 -.422E+02   -.773E-01 -.263E+00 -.608E-01   0.790E-03 -.383E-03 0.190E-03
   -.242E+01 -.188E+02 0.240E+02   0.241E+01 0.189E+02 -.240E+02   0.700E-03 -.104E+00 -.474E-01   0.514E-03 -.654E-03 0.534E-04
   0.204E+01 -.118E+01 0.163E+02   -.204E+01 0.118E+01 -.163E+02   0.172E-02 -.991E-03 -.235E-01   0.739E-03 -.423E-03 -.238E-04
   0.307E+01 0.254E+01 0.126E+02   -.307E+01 -.254E+01 -.126E+02   0.417E-03 -.216E-02 -.126E-01   0.682E-03 -.389E-03 0.670E-05
   -.474E+01 0.893E+00 0.125E+02   0.475E+01 -.901E+00 -.125E+02   -.160E-01 0.828E-02 -.190E-01   0.633E-03 -.298E-03 0.616E-04
   -.112E+02 -.508E+01 0.161E+02   0.112E+02 0.509E+01 -.161E+02   -.217E-01 -.756E-02 -.488E-01   0.520E-03 -.436E-03 0.444E-04
   -.617E+01 -.686E+01 0.194E+02   0.617E+01 0.688E+01 -.193E+02   -.168E-02 -.194E-01 -.276E-01   0.479E-03 -.185E-03 0.114E-04
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.291E-03 0.100E+02   0.179E-12 0.293E-12 -.320E-13   -.781E-16 -.243E-16 -.100E+02   -.360E-07 0.217E-07 0.415E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85270      6.06019     12.25910         0.000000      0.000000      0.006772
      1.07546      6.50893     13.51817        -0.000981      0.000566      0.016227
      2.62993      5.61145     13.51817         0.000981     -0.000566      0.016227
      0.00012     -0.00007      9.90729        -0.000231      0.000134      0.000694
     -1.23483      2.13726      9.90601         0.001895     -0.004127     -0.000035
     -2.47015      4.27710      9.92604         0.000253      0.001351     -0.000676
     -3.70386      6.41615      9.93387         0.000291      0.000043     -0.001926
     -4.93760      8.55472      9.92427        -0.001625      0.001505      0.000046
      2.46952      0.00007      9.92427        -0.002116      0.000655      0.000046
      1.23416      2.13706      9.91559         0.001833      0.004117     -0.000247
     -0.00244      4.27153      9.92826        -0.005264      0.002336     -0.002225
     -1.23820      6.41686      9.95018         0.002708     -0.000372     -0.000421
     -2.46877      8.55518      9.93550         0.000518     -0.000299      0.000714
      4.93844      0.00090      9.93387         0.000108     -0.000274     -0.001926
      3.70474      2.13732      9.93702        -0.000992     -0.001644     -0.000165
      2.47036      4.26941      9.96493         0.000362     -0.000782     -0.003623
      1.22952      6.41998      9.97110         0.000795     -0.000459     -0.003583
     -0.00164      8.55864      9.95018         0.001676     -0.002159     -0.000421
      7.40777      0.00201      9.92604        -0.001044     -0.000894     -0.000676
      6.17338      2.13960      9.93234        -0.000358     -0.000070     -0.000233
      4.93976      4.27787      9.94493         0.003037     -0.001754      0.001162
      3.71239      6.42067      9.96493         0.000858      0.000077     -0.003623
      2.47415      8.56111      9.92826        -0.004655      0.003390     -0.002225
      9.87858      0.00211      9.90601         0.004521      0.000423     -0.000035
      8.64295      2.13984      9.91716        -0.002050      0.001183      0.000408
      7.40837      4.27867      9.93234        -0.000118      0.000346     -0.000233
      6.17602      6.41771      9.93702         0.000928      0.001681     -0.000165
      4.94096      8.55742      9.91559        -0.002649     -0.003646     -0.000247
     -0.00089      1.42485      9.90601        -0.004521     -0.000423     -0.000035
     -1.23556      3.56296      9.91559         0.002649      0.003646     -0.000247
     -2.47063      5.70267      9.93702        -0.000928     -0.001681     -0.000165
     -3.70298      7.84171      9.93234         0.000118     -0.000346     -0.000233
     -4.93755      9.98054      9.91716         0.002050     -0.001183      0.000408
      2.46992      1.42495      9.92604         0.001044      0.000894     -0.000676
      1.23124      3.55926      9.92826         0.004655     -0.003390     -0.002225
     -0.00699      5.69971      9.96493        -0.000858     -0.000077     -0.003623
     -1.23437      7.84251      9.94493        -0.003037      0.001754      0.001162
     -2.46799      9.98078      9.93234         0.000358      0.000070     -0.000233
      4.93925      1.42606      9.93387        -0.000108      0.000274     -0.001926
      3.70703      3.56174      9.95018        -0.001676      0.002159     -0.000421
      2.47587      5.70040      9.97110        -0.000795      0.000459     -0.003583
      1.23504      7.85097      9.96493        -0.000362      0.000782     -0.003623
      0.00065      9.98305      9.93702         0.000992      0.001644     -0.000165
      7.40817      1.42689      9.92427         0.002116     -0.000655      0.000046
      6.17416      3.56519      9.93550        -0.000518      0.000299      0.000714
      4.94359      5.70351      9.95018        -0.002708      0.000372     -0.000421
      3.70783      7.84885      9.92826         0.005264     -0.002336     -0.002225
      2.47123      9.98332      9.91559        -0.001833     -0.004117     -0.000247
      9.87757      1.42703      9.90729         0.000231     -0.000134      0.000694
      8.64299      3.56566      9.92427         0.001625     -0.001505      0.000046
      7.40925      5.70422      9.93387        -0.000291     -0.000043     -0.001926
      6.17555      7.84328      9.92604        -0.000253     -0.001351     -0.000676
      4.94022      9.98312      9.90601        -0.001895      0.004127     -0.000035
 -----------------------------------------------------------------------------------
    total drift:                               -0.001805      0.000291      0.007128


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.96: CPU time    1.95
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.35
    ORTHCH:  VPU time  181.45: CPU time   91.17
     LOOP+:  VPU time 4968.11: CPU time 2559.36


----------------------------------------- Iteration   11(   1)  ---------------------------------------


    POTLOK:  VPU time    9.07: CPU time    8.96
    SETDIJ:  VPU time    0.33: CPU time    0.34
    EDDAV :  VPU time 1365.49: CPU time  706.51
 BZINTS: Fermi energy: -3.210578;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  112.53: CPU time   56.77
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1487.66: CPU time  772.78

 eigenvalue-minimisations  :  4064
 total energy-change (2. order) :-0.4717263E+03  (-0.2454650E-05)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9561498 magnetization    0.0000001

 Broyden mixing:
  rms(total) = 0.26890E-03    rms(broyden)= 0.26885E-03
  rms(prec ) = 0.29802E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34077.24778942
  -1/2 Hartree   DENC   =    -40967.68850227
  -V(xc)+E(xc)   XCENC  =       726.52899094
  PAW double counting   =      4092.62398777    -4130.96909766
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.90934501
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72632321 eV

  energy without entropy =     -471.72632321  energy(sigma->0) =     -471.72632321


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(   2)  ---------------------------------------


    POTLOK:  VPU time    9.07: CPU time    9.06
    SETDIJ:  VPU time    0.33: CPU time    0.34
    EDDAV :  VPU time 1351.57: CPU time  696.71
 BZINTS: Fermi energy: -3.210618;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1361.03: CPU time  706.15

 eigenvalue-minimisations  :  3976
 total energy-change (2. order) : 0.2596444E-06  (-0.4211833E-06)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9561498 magnetization    0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34077.24778942
  -1/2 Hartree   DENC   =    -40967.71411977
  -V(xc)+E(xc)   XCENC  =       726.52976565
  PAW double counting   =      4092.64463736    -4130.98981277
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.88443644
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72632295 eV

  energy without entropy =     -471.72632295  energy(sigma->0) =     -471.72632295


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2206       2 -39.5368       3 -39.5369       4 -58.3162       5 -58.3201
       6 -58.3225       7 -58.3171       8 -58.3174       9 -58.3174      10 -58.3239
      11 -58.3902      12 -58.3540      13 -58.3254      14 -58.3171      15 -58.3270
      16 -58.5455      17 -58.7325      18 -58.3540      19 -58.3225      20 -58.3223
      21 -58.3602      22 -58.5455      23 -58.3902      24 -58.3201      25 -58.3253
      26 -58.3223      27 -58.3270      28 -58.3240      29 -58.3200      30 -58.3238
      31 -58.3269      32 -58.3222      33 -58.3252      34 -58.3224      35 -58.3901
      36 -58.5454      37 -58.3602      38 -58.3222      39 -58.3170      40 -58.3539
      41 -58.7324      42 -58.5454      43 -58.3269      44 -58.3173      45 -58.3253
      46 -58.3539      47 -58.3901      48 -58.3239      49 -58.3160      50 -58.3173
      51 -58.3170      52 -58.3225      53 -58.3200
 
 
 
 E-fermi :  -3.2106     XC(G=0):  -2.3446     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4251      1.00000
      2     -21.6024      1.00000
      3     -21.4802      1.00000
      4     -21.4713      1.00000
      5     -21.4396      1.00000
      6     -21.4389      1.00000
      7     -21.4286      1.00000
      8     -19.7070      1.00000
      9     -19.6517      1.00000
     10     -19.6291      1.00000
     11     -19.6172      1.00000
     12     -19.6123      1.00000
     13     -19.6112      1.00000
     14     -18.7895      1.00000
     15     -18.7537      1.00000
     16     -18.7347      1.00000
     17     -18.7252      1.00000
     18     -18.7172      1.00000
     19     -18.7122      1.00000
     20     -16.6361      1.00000
     21     -16.6088      1.00000
     22     -16.5848      1.00000
     23     -16.5821      1.00000
     24     -16.5541      1.00000
     25     -16.5530      1.00000
     26     -15.6140      1.00000
     27     -15.6015      1.00000
     28     -15.5983      1.00000
     29     -15.5643      1.00000
     30     -15.5624      1.00000
     31     -15.5613      1.00000
     32     -14.2595      1.00000
     33     -14.2508      1.00000
     34     -14.2410      1.00000
     35     -14.2360      1.00000
     36     -14.2224      1.00000
     37     -14.2189      1.00000
     38     -11.9065      1.00000
     39     -11.8798      1.00000
     40     -11.8683      1.00000
     41     -11.8670      1.00000
     42     -11.8457      1.00000
     43     -11.8455      1.00000
     44     -11.7706      1.00000
     45     -11.7690      1.00000
     46     -11.7350      1.00000
     47     -11.7287      1.00000
     48     -11.7258      1.00000
     49     -11.7213      1.00000
     50     -10.6757      1.00000
     51     -10.3887      1.00000
     52     -10.3838      1.00000
     53     -10.3769      1.00000
     54     -10.3685      1.00000
     55     -10.3555      1.00000
     56     -10.3535      1.00000
     57      -9.9041      1.00000
     58      -9.4497      1.00000
     59      -9.4046      1.00000
     60      -9.3615      1.00000
     61      -9.3608      1.00000
     62      -9.3529      1.00000
     63      -9.1422      1.00000
     64      -9.1242      1.00000
     65      -9.1214      1.00000
     66      -9.0859      1.00000
     67      -9.0716      1.00000
     68      -9.0713      1.00000
     69      -9.0705      1.00000
     70      -9.0664      1.00000
     71      -9.0645      1.00000
     72      -9.0404      1.00000
     73      -9.0295      1.00000
     74      -9.0264      1.00000
     75      -8.1300      1.00000
     76      -7.7487      1.00000
     77      -7.4705      1.00000
     78      -7.4667      1.00000
     79      -7.4556      1.00000
     80      -7.4353      1.00000
     81      -7.4247      1.00000
     82      -7.4078      1.00000
     83      -7.3129      1.00000
     84      -7.2704      1.00000
     85      -7.2569      1.00000
     86      -7.2484      1.00000
     87      -7.1494      1.00000
     88      -7.0497      1.00000
     89      -6.4461      1.00000
     90      -6.4164      1.00000
     91      -6.4008      1.00000
     92      -6.3632      1.00000
     93      -6.3526      1.00000
     94      -6.3404      1.00000
     95      -5.9614      1.00000
     96      -5.9587      1.00000
     97      -4.8087      1.00000
     98      -4.5460      1.00000
     99      -4.4821      1.00000
    100      -4.4759      1.00000
    101      -4.3827      1.00000
    102      -4.3825      1.00000
    103      -4.2691      1.00000
    104      -4.1887      1.00000
    105      -3.7405      1.00000
    106      -3.4793      1.00000
    107      -1.8644      0.00000
    108      -1.6717      0.00000
    109      -1.6260      0.00000
    110      -1.5933      0.00000
    111      -1.5774      0.00000
    112      -1.5767      0.00000
    113      -0.4295      0.00000
    114       0.1447      0.00000
    115       0.1892      0.00000
    116       0.2529      0.00000
    117       0.2658      0.00000
    118       0.2686      0.00000
    119       0.4772      0.00000
    120       0.5470      0.00000
    121       1.2488      0.00000
    122       1.2906      0.00000
    123       1.5346      0.00000
    124       1.7698      0.00000
    125       1.7727      0.00000
    126       1.7729      0.00000
    127       1.8050      0.00000
    128       1.8265      0.00000
    129       1.9551      0.00000
    130       1.9659      0.00000
    131       1.9708      0.00000
    132       1.9854      0.00000
    133       1.9929      0.00000
    134       2.0771      0.00000
    135       2.2475      0.00000
    136       2.3462      0.00000
    137       2.6051      0.00000
    138       2.6068      0.00000
    139       2.6326      0.00000
    140       2.7061      0.00000
    141       2.9353      0.00000
    142       3.0532      0.00000
    143       3.0700      0.00000
    144       3.1015      0.00000
    145       3.1019      0.00000
    146       3.1055      0.00000
    147       3.1122      0.00000
    148       3.2744      0.00000
    149       3.4532      0.00000
    150       3.5031      0.00000
    151       3.8230      0.00000
    152       3.9466      0.00000
    153       3.9492      0.00000
    154       3.9516      0.00000
    155       3.9554      0.00000
    156       3.9954      0.00000
    157       4.1938      0.00000
    158       4.2613      0.00000
    159       4.2822      0.00000
    160       4.2834      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3884      1.00000
      2     -21.8295      1.00000
      3     -21.6371      1.00000
      4     -21.6092      1.00000
      5     -21.2737      1.00000
      6     -21.2342      1.00000
      7     -21.0559      1.00000
      8     -20.1670      1.00000
      9     -20.1287      1.00000
     10     -19.6077      1.00000
     11     -19.5967      1.00000
     12     -19.4167      1.00000
     13     -19.0894      1.00000
     14     -19.0589      1.00000
     15     -19.0485      1.00000
     16     -19.0409      1.00000
     17     -18.3602      1.00000
     18     -18.3517      1.00000
     19     -18.0192      1.00000
     20     -17.0697      1.00000
     21     -17.0307      1.00000
     22     -16.9448      1.00000
     23     -16.9393      1.00000
     24     -16.4682      1.00000
     25     -16.4626      1.00000
     26     -15.6134      1.00000
     27     -15.6068      1.00000
     28     -15.2526      1.00000
     29     -15.2440      1.00000
     30     -15.1849      1.00000
     31     -15.0980      1.00000
     32     -15.0712      1.00000
     33     -14.6982      1.00000
     34     -14.6963      1.00000
     35     -13.7267      1.00000
     36     -13.7238      1.00000
     37     -13.2366      1.00000
     38     -12.6153      1.00000
     39     -12.5849      1.00000
     40     -12.4543      1.00000
     41     -12.4502      1.00000
     42     -12.1104      1.00000
     43     -12.1053      1.00000
     44     -11.7166      1.00000
     45     -11.6855      1.00000
     46     -11.2357      1.00000
     47     -11.2270      1.00000
     48     -11.0184      1.00000
     49     -11.0102      1.00000
     50     -10.9263      1.00000
     51     -10.9047      1.00000
     52     -10.6307      1.00000
     53     -10.1563      1.00000
     54     -10.1505      1.00000
     55     -10.0933      1.00000
     56      -9.9984      1.00000
     57      -9.7027      1.00000
     58      -9.6961      1.00000
     59      -9.6553      1.00000
     60      -9.5920      1.00000
     61      -9.5768      1.00000
     62      -9.5589      1.00000
     63      -9.3088      1.00000
     64      -9.3036      1.00000
     65      -9.2735      1.00000
     66      -9.2361      1.00000
     67      -9.1359      1.00000
     68      -9.1175      1.00000
     69      -9.1108      1.00000
     70      -8.9390      1.00000
     71      -8.8718      1.00000
     72      -8.6056      1.00000
     73      -8.5918      1.00000
     74      -8.2367      1.00000
     75      -8.1027      1.00000
     76      -7.9138      1.00000
     77      -7.8640      1.00000
     78      -7.7734      1.00000
     79      -7.7580      1.00000
     80      -7.6919      1.00000
     81      -7.5620      1.00000
     82      -7.3406      1.00000
     83      -7.3241      1.00000
     84      -7.2038      1.00000
     85      -7.1235      1.00000
     86      -7.0320      1.00000
     87      -7.0128      1.00000
     88      -6.7045      1.00000
     89      -6.6777      1.00000
     90      -6.6412      1.00000
     91      -6.5975      1.00000
     92      -6.1184      1.00000
     93      -6.0629      1.00000
     94      -6.0320      1.00000
     95      -6.0111      1.00000
     96      -5.7840      1.00000
     97      -4.9763      1.00000
     98      -4.8328      1.00000
     99      -4.7480      1.00000
    100      -4.6804      1.00000
    101      -4.4705      1.00000
    102      -4.2052      1.00000
    103      -4.1728      1.00000
    104      -4.1291      1.00000
    105      -3.7307      1.00000
    106      -3.4896      1.00000
    107      -1.8726      0.00000
    108      -1.8104      0.00000
    109      -1.5267      0.00000
    110      -1.3790      0.00000
    111      -1.3232      0.00000
    112      -1.2901      0.00000
    113      -0.7220      0.00000
    114      -0.3778      0.00000
    115      -0.2513      0.00000
    116       0.0374      0.00000
    117       0.5553      0.00000
    118       0.6967      0.00000
    119       0.7437      0.00000
    120       1.0465      0.00000
    121       1.0970      0.00000
    122       1.1484      0.00000
    123       1.2253      0.00000
    124       1.3772      0.00000
    125       1.5229      0.00000
    126       1.5800      0.00000
    127       1.7142      0.00000
    128       1.8170      0.00000
    129       1.8553      0.00000
    130       1.8789      0.00000
    131       2.0970      0.00000
    132       2.1846      0.00000
    133       2.2403      0.00000
    134       2.3041      0.00000
    135       2.5104      0.00000
    136       2.5850      0.00000
    137       2.6431      0.00000
    138       2.7756      0.00000
    139       2.7922      0.00000
    140       2.8224      0.00000
    141       2.8654      0.00000
    142       2.8967      0.00000
    143       2.9496      0.00000
    144       3.0758      0.00000
    145       3.1504      0.00000
    146       3.3206      0.00000
    147       3.3880      0.00000
    148       3.4346      0.00000
    149       3.4632      0.00000
    150       3.6117      0.00000
    151       3.6450      0.00000
    152       3.6647      0.00000
    153       3.7100      0.00000
    154       3.9068      0.00000
    155       3.9622      0.00000
    156       4.0159      0.00000
    157       4.0720      0.00000
    158       4.2321      0.00000
    159       4.2460      0.00000
    160       4.2796      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2825      1.00000
      2     -22.0768      1.00000
      3     -21.7155      1.00000
      4     -21.6836      1.00000
      5     -20.9786      1.00000
      6     -20.9378      1.00000
      7     -20.6111      1.00000
      8     -20.5744      1.00000
      9     -20.5680      1.00000
     10     -20.0320      1.00000
     11     -19.5025      1.00000
     12     -19.4908      1.00000
     13     -19.3059      1.00000
     14     -19.3008      1.00000
     15     -18.4476      1.00000
     16     -18.4107      1.00000
     17     -17.9222      1.00000
     18     -17.9123      1.00000
     19     -17.7617      1.00000
     20     -17.7258      1.00000
     21     -17.4361      1.00000
     22     -17.4280      1.00000
     23     -17.3416      1.00000
     24     -16.4627      1.00000
     25     -16.4612      1.00000
     26     -15.9666      1.00000
     27     -15.4135      1.00000
     28     -15.4086      1.00000
     29     -15.0958      1.00000
     30     -15.0931      1.00000
     31     -14.8557      1.00000
     32     -14.8484      1.00000
     33     -14.2909      1.00000
     34     -14.2580      1.00000
     35     -13.4376      1.00000
     36     -13.4049      1.00000
     37     -13.1780      1.00000
     38     -13.1741      1.00000
     39     -12.9811      1.00000
     40     -12.9762      1.00000
     41     -12.6140      1.00000
     42     -12.6098      1.00000
     43     -12.1989      1.00000
     44     -11.5759      1.00000
     45     -11.5420      1.00000
     46     -11.3101      1.00000
     47     -11.2871      1.00000
     48     -11.1435      1.00000
     49     -10.6769      1.00000
     50     -10.6614      1.00000
     51     -10.5531      1.00000
     52     -10.3251      1.00000
     53     -10.3175      1.00000
     54     -10.1683      1.00000
     55     -10.1166      1.00000
     56     -10.1128      1.00000
     57      -9.7975      1.00000
     58      -9.7670      1.00000
     59      -9.7513      1.00000
     60      -9.6998      1.00000
     61      -9.6986      1.00000
     62      -9.6611      1.00000
     63      -9.3566      1.00000
     64      -9.3509      1.00000
     65      -9.3149      1.00000
     66      -9.0411      1.00000
     67      -8.9639      1.00000
     68      -8.9496      1.00000
     69      -8.7989      1.00000
     70      -8.5946      1.00000
     71      -8.5574      1.00000
     72      -8.3981      1.00000
     73      -8.3646      1.00000
     74      -8.3256      1.00000
     75      -8.3081      1.00000
     76      -8.2603      1.00000
     77      -8.2580      1.00000
     78      -8.2363      1.00000
     79      -7.9044      1.00000
     80      -7.6516      1.00000
     81      -7.5507      1.00000
     82      -7.3881      1.00000
     83      -7.3509      1.00000
     84      -7.2330      1.00000
     85      -7.0958      1.00000
     86      -7.0386      1.00000
     87      -6.9335      1.00000
     88      -6.8480      1.00000
     89      -6.6133      1.00000
     90      -6.5611      1.00000
     91      -6.2706      1.00000
     92      -6.0444      1.00000
     93      -5.9519      1.00000
     94      -5.6635      1.00000
     95      -5.6225      1.00000
     96      -5.4644      1.00000
     97      -5.3211      1.00000
     98      -5.2793      1.00000
     99      -5.2149      1.00000
    100      -5.1938      1.00000
    101      -4.5103      1.00000
    102      -4.2095      1.00000
    103      -4.0607      1.00000
    104      -3.9901      1.00000
    105      -3.6953      1.00000
    106      -3.4998      1.00000
    107      -1.9486      0.00000
    108      -1.8978      0.00000
    109      -1.3416      0.00000
    110      -1.0868      0.00000
    111      -1.0595      0.00000
    112      -0.8024      0.00000
    113      -0.6789      0.00000
    114      -0.6491      0.00000
    115      -0.6096      0.00000
    116      -0.1083      0.00000
    117       0.2127      0.00000
    118       0.3287      0.00000
    119       0.6937      0.00000
    120       0.8880      0.00000
    121       1.1254      0.00000
    122       1.1963      0.00000
    123       1.3260      0.00000
    124       1.4198      0.00000
    125       1.5513      0.00000
    126       1.5730      0.00000
    127       1.6766      0.00000
    128       1.8092      0.00000
    129       1.8815      0.00000
    130       2.0531      0.00000
    131       2.1268      0.00000
    132       2.3284      0.00000
    133       2.3600      0.00000
    134       2.3933      0.00000
    135       2.5436      0.00000
    136       2.6289      0.00000
    137       2.7269      0.00000
    138       2.7636      0.00000
    139       2.8298      0.00000
    140       2.8782      0.00000
    141       3.0424      0.00000
    142       3.0530      0.00000
    143       3.1607      0.00000
    144       3.2623      0.00000
    145       3.3585      0.00000
    146       3.4132      0.00000
    147       3.4314      0.00000
    148       3.5610      0.00000
    149       3.5783      0.00000
    150       3.5951      0.00000
    151       3.6564      0.00000
    152       3.6748      0.00000
    153       3.7785      0.00000
    154       3.7985      0.00000
    155       3.8112      0.00000
    156       3.8967      0.00000
    157       3.9179      0.00000
    158       4.0007      0.00000
    159       4.2108      0.00000
    160       4.2281      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3164      1.00000
      2     -21.9618      1.00000
      3     -21.8925      1.00000
      4     -21.3799      1.00000
      5     -21.3504      1.00000
      6     -20.8391      1.00000
      7     -20.7736      1.00000
      8     -20.6235      1.00000
      9     -20.0766      1.00000
     10     -20.0709      1.00000
     11     -19.7164      1.00000
     12     -19.6917      1.00000
     13     -18.9959      1.00000
     14     -18.9899      1.00000
     15     -18.6397      1.00000
     16     -18.6237      1.00000
     17     -18.4624      1.00000
     18     -17.6761      1.00000
     19     -17.6253      1.00000
     20     -17.6226      1.00000
     21     -17.5807      1.00000
     22     -17.1263      1.00000
     23     -17.1048      1.00000
     24     -16.9613      1.00000
     25     -16.0012      1.00000
     26     -15.9287      1.00000
     27     -15.5856      1.00000
     28     -15.5853      1.00000
     29     -15.2875      1.00000
     30     -14.8640      1.00000
     31     -14.8367      1.00000
     32     -14.5801      1.00000
     33     -14.5382      1.00000
     34     -14.1680      1.00000
     35     -14.1544      1.00000
     36     -13.1485      1.00000
     37     -13.1007      1.00000
     38     -13.0309      1.00000
     39     -13.0209      1.00000
     40     -12.7103      1.00000
     41     -12.7061      1.00000
     42     -12.3406      1.00000
     43     -12.3093      1.00000
     44     -11.6360      1.00000
     45     -11.6222      1.00000
     46     -11.5716      1.00000
     47     -10.9492      1.00000
     48     -10.9160      1.00000
     49     -10.6336      1.00000
     50     -10.6261      1.00000
     51     -10.5477      1.00000
     52     -10.4990      1.00000
     53     -10.4987      1.00000
     54     -10.4410      1.00000
     55     -10.3624      1.00000
     56     -10.0987      1.00000
     57      -9.9024      1.00000
     58      -9.6109      1.00000
     59      -9.5585      1.00000
     60      -9.4522      1.00000
     61      -9.4118      1.00000
     62      -9.4054      1.00000
     63      -9.3786      1.00000
     64      -9.3785      1.00000
     65      -9.2865      1.00000
     66      -9.1689      1.00000
     67      -9.1434      1.00000
     68      -9.1150      1.00000
     69      -8.8645      1.00000
     70      -8.8568      1.00000
     71      -8.8151      1.00000
     72      -8.5965      1.00000
     73      -8.4798      1.00000
     74      -8.1990      1.00000
     75      -8.1635      1.00000
     76      -8.0085      1.00000
     77      -7.9650      1.00000
     78      -7.8529      1.00000
     79      -7.8427      1.00000
     80      -7.7060      1.00000
     81      -7.6990      1.00000
     82      -7.6214      1.00000
     83      -7.4494      1.00000
     84      -7.2999      1.00000
     85      -7.2543      1.00000
     86      -6.9072      1.00000
     87      -6.8934      1.00000
     88      -6.5885      1.00000
     89      -6.5512      1.00000
     90      -6.4092      1.00000
     91      -6.2529      1.00000
     92      -6.2324      1.00000
     93      -6.2058      1.00000
     94      -6.0238      1.00000
     95      -5.5511      1.00000
     96      -5.4899      1.00000
     97      -5.3516      1.00000
     98      -5.2207      1.00000
     99      -4.9795      1.00000
    100      -4.7337      1.00000
    101      -4.6789      1.00000
    102      -4.3887      1.00000
    103      -4.2048      1.00000
    104      -3.8727      1.00000
    105      -3.5469      1.00000
    106      -3.5120      1.00000
    107      -2.2579      0.00000
    108      -1.4595      0.00000
    109      -1.3724      0.00000
    110      -1.2437      0.00000
    111      -1.1002      0.00000
    112      -0.9472      0.00000
    113      -0.8658      0.00000
    114      -0.8053      0.00000
    115      -0.1392      0.00000
    116       0.1098      0.00000
    117       0.2391      0.00000
    118       0.3766      0.00000
    119       0.6510      0.00000
    120       0.8336      0.00000
    121       0.9338      0.00000
    122       1.0635      0.00000
    123       1.2320      0.00000
    124       1.4487      0.00000
    125       1.5477      0.00000
    126       1.7629      0.00000
    127       1.7906      0.00000
    128       1.8747      0.00000
    129       1.9662      0.00000
    130       2.0462      0.00000
    131       2.1729      0.00000
    132       2.1947      0.00000
    133       2.4087      0.00000
    134       2.4640      0.00000
    135       2.5340      0.00000
    136       2.6010      0.00000
    137       2.6376      0.00000
    138       2.6936      0.00000
    139       2.7713      0.00000
    140       2.8330      0.00000
    141       2.9464      0.00000
    142       3.0771      0.00000
    143       3.1987      0.00000
    144       3.2136      0.00000
    145       3.2612      0.00000
    146       3.3195      0.00000
    147       3.3269      0.00000
    148       3.4668      0.00000
    149       3.4954      0.00000
    150       3.6957      0.00000
    151       3.7105      0.00000
    152       3.7302      0.00000
    153       3.8553      0.00000
    154       3.9154      0.00000
    155       3.9398      0.00000
    156       3.9748      0.00000
    157       4.0143      0.00000
    158       4.0330      0.00000
    159       4.0473      0.00000
    160       4.0638      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2095      1.00000
      2     -22.1163      1.00000
      3     -21.9557      1.00000
      4     -21.4034      1.00000
      5     -21.0490      1.00000
      6     -21.0130      1.00000
      7     -20.5000      1.00000
      8     -20.4604      1.00000
      9     -20.2944      1.00000
     10     -20.2749      1.00000
     11     -19.9568      1.00000
     12     -19.8909      1.00000
     13     -18.8819      1.00000
     14     -18.8131      1.00000
     15     -18.3530      1.00000
     16     -18.3066      1.00000
     17     -18.1529      1.00000
     18     -18.1355      1.00000
     19     -17.8269      1.00000
     20     -17.7891      1.00000
     21     -17.2525      1.00000
     22     -17.2411      1.00000
     23     -17.1658      1.00000
     24     -17.1325      1.00000
     25     -16.1094      1.00000
     26     -15.8849      1.00000
     27     -15.8697      1.00000
     28     -15.8343      1.00000
     29     -15.2376      1.00000
     30     -14.5550      1.00000
     31     -14.5271      1.00000
     32     -14.2814      1.00000
     33     -13.9647      1.00000
     34     -13.9570      1.00000
     35     -13.8214      1.00000
     36     -13.8052      1.00000
     37     -13.6153      1.00000
     38     -13.5712      1.00000
     39     -13.3690      1.00000
     40     -12.6341      1.00000
     41     -12.1818      1.00000
     42     -12.1335      1.00000
     43     -12.0716      1.00000
     44     -12.0192      1.00000
     45     -11.6712      1.00000
     46     -11.6576      1.00000
     47     -11.1396      1.00000
     48     -11.1190      1.00000
     49     -10.7945      1.00000
     50     -10.7307      1.00000
     51     -10.5291      1.00000
     52     -10.2108      1.00000
     53     -10.2055      1.00000
     54     -10.1635      1.00000
     55     -10.0188      1.00000
     56     -10.0038      1.00000
     57      -9.9907      1.00000
     58      -9.8022      1.00000
     59      -9.7986      1.00000
     60      -9.7635      1.00000
     61      -9.7588      1.00000
     62      -9.4543      1.00000
     63      -9.4169      1.00000
     64      -9.0804      1.00000
     65      -9.0741      1.00000
     66      -9.0414      1.00000
     67      -8.9565      1.00000
     68      -8.8767      1.00000
     69      -8.7136      1.00000
     70      -8.7012      1.00000
     71      -8.5661      1.00000
     72      -8.5431      1.00000
     73      -8.4993      1.00000
     74      -8.4642      1.00000
     75      -8.4537      1.00000
     76      -8.2601      1.00000
     77      -8.1254      1.00000
     78      -8.0431      1.00000
     79      -7.9171      1.00000
     80      -7.8634      1.00000
     81      -7.6148      1.00000
     82      -7.5492      1.00000
     83      -7.4897      1.00000
     84      -7.2695      1.00000
     85      -6.9977      1.00000
     86      -6.9252      1.00000
     87      -6.8840      1.00000
     88      -6.5336      1.00000
     89      -6.4881      1.00000
     90      -6.4613      1.00000
     91      -6.4099      1.00000
     92      -5.9846      1.00000
     93      -5.8980      1.00000
     94      -5.7853      1.00000
     95      -5.7594      1.00000
     96      -5.4332      1.00000
     97      -5.3300      1.00000
     98      -5.2310      1.00000
     99      -5.2188      1.00000
    100      -5.1883      1.00000
    101      -4.6931      1.00000
    102      -4.4229      1.00000
    103      -4.2114      1.00000
    104      -3.8360      1.00000
    105      -3.5312      1.00000
    106      -3.2750      1.00000
    107      -2.5328      0.00000
    108      -1.4607      0.00000
    109      -1.2682      0.00000
    110      -1.2046      0.00000
    111      -1.1742      0.00000
    112      -0.7218      0.00000
    113      -0.5058      0.00000
    114      -0.4139      0.00000
    115      -0.3414      0.00000
    116      -0.1478      0.00000
    117      -0.0055      0.00000
    118       0.1940      0.00000
    119       0.5603      0.00000
    120       0.6099      0.00000
    121       0.7956      0.00000
    122       0.9070      0.00000
    123       1.1321      0.00000
    124       1.4919      0.00000
    125       1.6357      0.00000
    126       1.8498      0.00000
    127       1.9256      0.00000
    128       2.1022      0.00000
    129       2.1138      0.00000
    130       2.1545      0.00000
    131       2.1904      0.00000
    132       2.2765      0.00000
    133       2.3410      0.00000
    134       2.4743      0.00000
    135       2.5824      0.00000
    136       2.6549      0.00000
    137       2.8507      0.00000
    138       2.8675      0.00000
    139       2.8904      0.00000
    140       3.0066      0.00000
    141       3.0202      0.00000
    142       3.1379      0.00000
    143       3.1853      0.00000
    144       3.2277      0.00000
    145       3.2706      0.00000
    146       3.2815      0.00000
    147       3.2974      0.00000
    148       3.3438      0.00000
    149       3.4220      0.00000
    150       3.4485      0.00000
    151       3.5544      0.00000
    152       3.6234      0.00000
    153       3.7126      0.00000
    154       3.7364      0.00000
    155       3.7701      0.00000
    156       3.8932      0.00000
    157       3.9367      0.00000
    158       4.0026      0.00000
    159       4.1267      0.00000
    160       4.2200      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3162      1.00000
      2     -21.9633      1.00000
      3     -21.8910      1.00000
      4     -21.3837      1.00000
      5     -21.3472      1.00000
      6     -20.8385      1.00000
      7     -20.7720      1.00000
      8     -20.6240      1.00000
      9     -20.0890      1.00000
     10     -20.0602      1.00000
     11     -19.7178      1.00000
     12     -19.6889      1.00000
     13     -19.0095      1.00000
     14     -18.9782      1.00000
     15     -18.6498      1.00000
     16     -18.6168      1.00000
     17     -18.4600      1.00000
     18     -17.6605      1.00000
     19     -17.6462      1.00000
     20     -17.6102      1.00000
     21     -17.5775      1.00000
     22     -17.1376      1.00000
     23     -17.0973      1.00000
     24     -16.9667      1.00000
     25     -16.0092      1.00000
     26     -15.9225      1.00000
     27     -15.5986      1.00000
     28     -15.5750      1.00000
     29     -15.2798      1.00000
     30     -14.8769      1.00000
     31     -14.8298      1.00000
     32     -14.5748      1.00000
     33     -14.5369      1.00000
     34     -14.1645      1.00000
     35     -14.1602      1.00000
     36     -13.1631      1.00000
     37     -13.0953      1.00000
     38     -13.0231      1.00000
     39     -13.0187      1.00000
     40     -12.7182      1.00000
     41     -12.6948      1.00000
     42     -12.3406      1.00000
     43     -12.3134      1.00000
     44     -11.6330      1.00000
     45     -11.6235      1.00000
     46     -11.5699      1.00000
     47     -10.9413      1.00000
     48     -10.9233      1.00000
     49     -10.6699      1.00000
     50     -10.5903      1.00000
     51     -10.5735      1.00000
     52     -10.5019      1.00000
     53     -10.4891      1.00000
     54     -10.4400      1.00000
     55     -10.3557      1.00000
     56     -10.1031      1.00000
     57      -9.8967      1.00000
     58      -9.6084      1.00000
     59      -9.5511      1.00000
     60      -9.4541      1.00000
     61      -9.4201      1.00000
     62      -9.4092      1.00000
     63      -9.3791      1.00000
     64      -9.3722      1.00000
     65      -9.2668      1.00000
     66      -9.1669      1.00000
     67      -9.1429      1.00000
     68      -9.1163      1.00000
     69      -8.8672      1.00000
     70      -8.8611      1.00000
     71      -8.8021      1.00000
     72      -8.5957      1.00000
     73      -8.5266      1.00000
     74      -8.1944      1.00000
     75      -8.1714      1.00000
     76      -8.0757      1.00000
     77      -7.8583      1.00000
     78      -7.8374      1.00000
     79      -7.8242      1.00000
     80      -7.7118      1.00000
     81      -7.6972      1.00000
     82      -7.5969      1.00000
     83      -7.5310      1.00000
     84      -7.3501      1.00000
     85      -7.1682      1.00000
     86      -6.9070      1.00000
     87      -6.8971      1.00000
     88      -6.5929      1.00000
     89      -6.5510      1.00000
     90      -6.4072      1.00000
     91      -6.3027      1.00000
     92      -6.2478      1.00000
     93      -6.2031      1.00000
     94      -6.0040      1.00000
     95      -5.5327      1.00000
     96      -5.4651      1.00000
     97      -5.3147      1.00000
     98      -5.2097      1.00000
     99      -5.0483      1.00000
    100      -4.7250      1.00000
    101      -4.6723      1.00000
    102      -4.4254      1.00000
    103      -4.1965      1.00000
    104      -3.8447      1.00000
    105      -3.6362      1.00000
    106      -3.4176      1.00000
    107      -2.2942      0.00000
    108      -1.5119      0.00000
    109      -1.2719      0.00000
    110      -1.2642      0.00000
    111      -1.0364      0.00000
    112      -0.9789      0.00000
    113      -0.8700      0.00000
    114      -0.8018      0.00000
    115      -0.2620      0.00000
    116       0.2016      0.00000
    117       0.2369      0.00000
    118       0.3593      0.00000
    119       0.6902      0.00000
    120       0.8917      0.00000
    121       0.9218      0.00000
    122       1.0403      0.00000
    123       1.1671      0.00000
    124       1.5090      0.00000
    125       1.5572      0.00000
    126       1.7090      0.00000
    127       1.7762      0.00000
    128       1.8324      0.00000
    129       1.9648      0.00000
    130       1.9825      0.00000
    131       2.1863      0.00000
    132       2.2585      0.00000
    133       2.4122      0.00000
    134       2.4689      0.00000
    135       2.5356      0.00000
    136       2.5968      0.00000
    137       2.6148      0.00000
    138       2.6970      0.00000
    139       2.7517      0.00000
    140       2.8624      0.00000
    141       3.0338      0.00000
    142       3.0757      0.00000
    143       3.1893      0.00000
    144       3.2458      0.00000
    145       3.2643      0.00000
    146       3.2980      0.00000
    147       3.3457      0.00000
    148       3.4517      0.00000
    149       3.5176      0.00000
    150       3.6900      0.00000
    151       3.7130      0.00000
    152       3.7528      0.00000
    153       3.8306      0.00000
    154       3.8907      0.00000
    155       3.9272      0.00000
    156       3.9748      0.00000
    157       4.0043      0.00000
    158       4.0416      0.00000
    159       4.0440      0.00000
    160       4.0937      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3884      1.00000
      2     -21.8297      1.00000
      3     -21.6404      1.00000
      4     -21.6054      1.00000
      5     -21.2779      1.00000
      6     -21.2307      1.00000
      7     -21.0552      1.00000
      8     -20.1706      1.00000
      9     -20.1244      1.00000
     10     -19.6166      1.00000
     11     -19.5906      1.00000
     12     -19.4146      1.00000
     13     -19.0940      1.00000
     14     -19.0555      1.00000
     15     -19.0512      1.00000
     16     -19.0381      1.00000
     17     -18.3666      1.00000
     18     -18.3470      1.00000
     19     -18.0157      1.00000
     20     -17.0720      1.00000
     21     -17.0228      1.00000
     22     -16.9499      1.00000
     23     -16.9362      1.00000
     24     -16.4761      1.00000
     25     -16.4638      1.00000
     26     -15.6094      1.00000
     27     -15.6089      1.00000
     28     -15.2493      1.00000
     29     -15.2374      1.00000
     30     -15.1908      1.00000
     31     -15.1009      1.00000
     32     -15.0681      1.00000
     33     -14.6986      1.00000
     34     -14.6979      1.00000
     35     -13.7255      1.00000
     36     -13.7253      1.00000
     37     -13.2346      1.00000
     38     -12.6247      1.00000
     39     -12.5807      1.00000
     40     -12.4539      1.00000
     41     -12.4486      1.00000
     42     -12.1056      1.00000
     43     -12.1009      1.00000
     44     -11.7227      1.00000
     45     -11.6840      1.00000
     46     -11.2468      1.00000
     47     -11.2262      1.00000
     48     -11.0170      1.00000
     49     -11.0053      1.00000
     50     -10.9282      1.00000
     51     -10.8995      1.00000
     52     -10.6368      1.00000
     53     -10.1724      1.00000
     54     -10.1493      1.00000
     55     -10.0846      1.00000
     56      -9.9917      1.00000
     57      -9.6962      1.00000
     58      -9.6895      1.00000
     59      -9.6696      1.00000
     60      -9.5928      1.00000
     61      -9.5690      1.00000
     62      -9.5532      1.00000
     63      -9.3123      1.00000
     64      -9.2996      1.00000
     65      -9.2827      1.00000
     66      -9.2453      1.00000
     67      -9.1215      1.00000
     68      -9.1123      1.00000
     69      -9.1104      1.00000
     70      -8.9386      1.00000
     71      -8.8776      1.00000
     72      -8.6069      1.00000
     73      -8.5880      1.00000
     74      -8.2714      1.00000
     75      -8.1015      1.00000
     76      -7.8701      1.00000
     77      -7.8430      1.00000
     78      -7.7909      1.00000
     79      -7.7649      1.00000
     80      -7.7560      1.00000
     81      -7.4488      1.00000
     82      -7.3351      1.00000
     83      -7.3238      1.00000
     84      -7.2665      1.00000
     85      -7.1620      1.00000
     86      -7.0177      1.00000
     87      -6.9861      1.00000
     88      -6.7181      1.00000
     89      -6.6903      1.00000
     90      -6.6313      1.00000
     91      -6.5903      1.00000
     92      -6.1181      1.00000
     93      -6.0607      1.00000
     94      -6.0449      1.00000
     95      -6.0305      1.00000
     96      -5.7476      1.00000
     97      -4.9764      1.00000
     98      -4.8408      1.00000
     99      -4.7094      1.00000
    100      -4.6737      1.00000
    101      -4.4852      1.00000
    102      -4.3544      1.00000
    103      -4.1134      1.00000
    104      -4.0569      1.00000
    105      -3.7563      1.00000
    106      -3.4671      1.00000
    107      -1.9528      0.00000
    108      -1.7728      0.00000
    109      -1.4816      0.00000
    110      -1.3576      0.00000
    111      -1.3375      0.00000
    112      -1.2944      0.00000
    113      -0.6797      0.00000
    114      -0.4733      0.00000
    115      -0.2380      0.00000
    116       0.0516      0.00000
    117       0.5870      0.00000
    118       0.6895      0.00000
    119       0.7678      0.00000
    120       1.0213      0.00000
    121       1.0940      0.00000
    122       1.1757      0.00000
    123       1.2503      0.00000
    124       1.3337      0.00000
    125       1.4317      0.00000
    126       1.5964      0.00000
    127       1.7660      0.00000
    128       1.8400      0.00000
    129       1.8575      0.00000
    130       1.8853      0.00000
    131       2.0484      0.00000
    132       2.2160      0.00000
    133       2.2296      0.00000
    134       2.2826      0.00000
    135       2.4780      0.00000
    136       2.6140      0.00000
    137       2.6445      0.00000
    138       2.7481      0.00000
    139       2.7898      0.00000
    140       2.8322      0.00000
    141       2.8441      0.00000
    142       2.8771      0.00000
    143       2.9546      0.00000
    144       3.0799      0.00000
    145       3.3187      0.00000
    146       3.3567      0.00000
    147       3.4079      0.00000
    148       3.4201      0.00000
    149       3.4214      0.00000
    150       3.5928      0.00000
    151       3.6507      0.00000
    152       3.6698      0.00000
    153       3.7261      0.00000
    154       3.8915      0.00000
    155       3.9261      0.00000
    156       3.9568      0.00000
    157       4.1130      0.00000
    158       4.2059      0.00000
    159       4.2481      0.00000
    160       4.2812      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2086      1.00000
      2     -22.1176      1.00000
      3     -21.9554      1.00000
      4     -21.4037      1.00000
      5     -21.0451      1.00000
      6     -21.0166      1.00000
      7     -20.4953      1.00000
      8     -20.4651      1.00000
      9     -20.2850      1.00000
     10     -20.2830      1.00000
     11     -19.9562      1.00000
     12     -19.8930      1.00000
     13     -18.8834      1.00000
     14     -18.8156      1.00000
     15     -18.3368      1.00000
     16     -18.3177      1.00000
     17     -18.1487      1.00000
     18     -18.1412      1.00000
     19     -17.8151      1.00000
     20     -17.7970      1.00000
     21     -17.2587      1.00000
     22     -17.2390      1.00000
     23     -17.1593      1.00000
     24     -17.1361      1.00000
     25     -16.1155      1.00000
     26     -15.8802      1.00000
     27     -15.8690      1.00000
     28     -15.8418      1.00000
     29     -15.2306      1.00000
     30     -14.5517      1.00000
     31     -14.5331      1.00000
     32     -14.2756      1.00000
     33     -13.9746      1.00000
     34     -13.9509      1.00000
     35     -13.8253      1.00000
     36     -13.8030      1.00000
     37     -13.6044      1.00000
     38     -13.5790      1.00000
     39     -13.3689      1.00000
     40     -12.6379      1.00000
     41     -12.1697      1.00000
     42     -12.1432      1.00000
     43     -12.0681      1.00000
     44     -12.0212      1.00000
     45     -11.6646      1.00000
     46     -11.6597      1.00000
     47     -11.1383      1.00000
     48     -11.1272      1.00000
     49     -10.7919      1.00000
     50     -10.7356      1.00000
     51     -10.5359      1.00000
     52     -10.2078      1.00000
     53     -10.2015      1.00000
     54     -10.1692      1.00000
     55     -10.0225      1.00000
     56      -9.9932      1.00000
     57      -9.9900      1.00000
     58      -9.8049      1.00000
     59      -9.7955      1.00000
     60      -9.7658      1.00000
     61      -9.7583      1.00000
     62      -9.4565      1.00000
     63      -9.4170      1.00000
     64      -9.0848      1.00000
     65      -9.0460      1.00000
     66      -9.0251      1.00000
     67      -8.9714      1.00000
     68      -8.8973      1.00000
     69      -8.7080      1.00000
     70      -8.6987      1.00000
     71      -8.5624      1.00000
     72      -8.5513      1.00000
     73      -8.4779      1.00000
     74      -8.4602      1.00000
     75      -8.4569      1.00000
     76      -8.3084      1.00000
     77      -8.0947      1.00000
     78      -8.0884      1.00000
     79      -7.9269      1.00000
     80      -7.8316      1.00000
     81      -7.6009      1.00000
     82      -7.5393      1.00000
     83      -7.4425      1.00000
     84      -7.3169      1.00000
     85      -6.9944      1.00000
     86      -6.9198      1.00000
     87      -6.8827      1.00000
     88      -6.5303      1.00000
     89      -6.5159      1.00000
     90      -6.4826      1.00000
     91      -6.4210      1.00000
     92      -5.9272      1.00000
     93      -5.9052      1.00000
     94      -5.7890      1.00000
     95      -5.7753      1.00000
     96      -5.3698      1.00000
     97      -5.3637      1.00000
     98      -5.2202      1.00000
     99      -5.2160      1.00000
    100      -5.1995      1.00000
    101      -4.7220      1.00000
    102      -4.4441      1.00000
    103      -4.1926      1.00000
    104      -3.8222      1.00000
    105      -3.5676      1.00000
    106      -3.2228      1.00000
    107      -2.5639      0.00000
    108      -1.4659      0.00000
    109      -1.2681      0.00000
    110      -1.1871      0.00000
    111      -1.1857      0.00000
    112      -0.6468      0.00000
    113      -0.5535      0.00000
    114      -0.4171      0.00000
    115      -0.3501      0.00000
    116      -0.0792      0.00000
    117      -0.0652      0.00000
    118       0.1258      0.00000
    119       0.5903      0.00000
    120       0.6247      0.00000
    121       0.8552      0.00000
    122       0.9846      0.00000
    123       1.0037      0.00000
    124       1.4945      0.00000
    125       1.6844      0.00000
    126       1.7607      0.00000
    127       1.8588      0.00000
    128       2.1099      0.00000
    129       2.1502      0.00000
    130       2.1927      0.00000
    131       2.2065      0.00000
    132       2.2547      0.00000
    133       2.3539      0.00000
    134       2.4925      0.00000
    135       2.5196      0.00000
    136       2.6618      0.00000
    137       2.8496      0.00000
    138       2.8566      0.00000
    139       2.9509      0.00000
    140       2.9946      0.00000
    141       3.0345      0.00000
    142       3.1333      0.00000
    143       3.1989      0.00000
    144       3.2410      0.00000
    145       3.2436      0.00000
    146       3.2770      0.00000
    147       3.3006      0.00000
    148       3.3528      0.00000
    149       3.4243      0.00000
    150       3.5488      0.00000
    151       3.5649      0.00000
    152       3.6446      0.00000
    153       3.6644      0.00000
    154       3.7089      0.00000
    155       3.7322      0.00000
    156       3.8944      0.00000
    157       3.9569      0.00000
    158       4.0341      0.00000
    159       4.0716      0.00000
    160       4.1813      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2820      1.00000
      2     -22.0773      1.00000
      3     -21.7193      1.00000
      4     -21.6799      1.00000
      5     -20.9819      1.00000
      6     -20.9340      1.00000
      7     -20.6105      1.00000
      8     -20.5779      1.00000
      9     -20.5646      1.00000
     10     -20.0311      1.00000
     11     -19.5130      1.00000
     12     -19.4831      1.00000
     13     -19.3110      1.00000
     14     -19.2981      1.00000
     15     -18.4489      1.00000
     16     -18.4056      1.00000
     17     -17.9274      1.00000
     18     -17.9072      1.00000
     19     -17.7653      1.00000
     20     -17.7202      1.00000
     21     -17.4416      1.00000
     22     -17.4233      1.00000
     23     -17.3373      1.00000
     24     -16.4721      1.00000
     25     -16.4616      1.00000
     26     -15.9695      1.00000
     27     -15.4111      1.00000
     28     -15.4102      1.00000
     29     -15.0963      1.00000
     30     -15.0931      1.00000
     31     -14.8527      1.00000
     32     -14.8407      1.00000
     33     -14.2976      1.00000
     34     -14.2539      1.00000
     35     -13.4443      1.00000
     36     -13.4005      1.00000
     37     -13.1755      1.00000
     38     -13.1744      1.00000
     39     -12.9844      1.00000
     40     -12.9756      1.00000
     41     -12.6111      1.00000
     42     -12.6093      1.00000
     43     -12.1962      1.00000
     44     -11.5806      1.00000
     45     -11.5393      1.00000
     46     -11.3142      1.00000
     47     -11.2838      1.00000
     48     -11.1417      1.00000
     49     -10.6939      1.00000
     50     -10.6648      1.00000
     51     -10.5472      1.00000
     52     -10.3216      1.00000
     53     -10.3139      1.00000
     54     -10.1747      1.00000
     55     -10.1232      1.00000
     56     -10.1094      1.00000
     57      -9.8110      1.00000
     58      -9.7521      1.00000
     59      -9.7518      1.00000
     60      -9.7017      1.00000
     61      -9.6979      1.00000
     62      -9.6458      1.00000
     63      -9.3525      1.00000
     64      -9.3509      1.00000
     65      -9.3202      1.00000
     66      -9.0277      1.00000
     67      -8.9614      1.00000
     68      -8.9575      1.00000
     69      -8.7746      1.00000
     70      -8.5941      1.00000
     71      -8.5883      1.00000
     72      -8.4231      1.00000
     73      -8.3490      1.00000
     74      -8.3237      1.00000
     75      -8.3022      1.00000
     76      -8.2670      1.00000
     77      -8.2558      1.00000
     78      -8.2414      1.00000
     79      -7.9208      1.00000
     80      -7.7339      1.00000
     81      -7.3799      1.00000
     82      -7.3506      1.00000
     83      -7.3257      1.00000
     84      -7.2176      1.00000
     85      -7.1606      1.00000
     86      -7.0648      1.00000
     87      -6.9610      1.00000
     88      -6.9048      1.00000
     89      -6.6164      1.00000
     90      -6.5569      1.00000
     91      -6.2740      1.00000
     92      -5.9965      1.00000
     93      -5.9593      1.00000
     94      -5.6758      1.00000
     95      -5.6494      1.00000
     96      -5.3878      1.00000
     97      -5.3150      1.00000
     98      -5.2943      1.00000
     99      -5.2124      1.00000
    100      -5.2009      1.00000
    101      -4.5134      1.00000
    102      -4.3410      1.00000
    103      -3.9983      1.00000
    104      -3.8873      1.00000
    105      -3.7944      1.00000
    106      -3.4449      1.00000
    107      -2.0365      0.00000
    108      -1.8649      0.00000
    109      -1.2200      0.00000
    110      -1.1850      0.00000
    111      -1.0381      0.00000
    112      -0.7745      0.00000
    113      -0.6790      0.00000
    114      -0.6623      0.00000
    115      -0.6117      0.00000
    116      -0.1016      0.00000
    117       0.2200      0.00000
    118       0.2391      0.00000
    119       0.7691      0.00000
    120       0.9831      0.00000
    121       1.0726      0.00000
    122       1.2389      0.00000
    123       1.2494      0.00000
    124       1.3417      0.00000
    125       1.5745      0.00000
    126       1.5818      0.00000
    127       1.6982      0.00000
    128       1.7998      0.00000
    129       1.9441      0.00000
    130       1.9574      0.00000
    131       2.0896      0.00000
    132       2.2980      0.00000
    133       2.3406      0.00000
    134       2.4139      0.00000
    135       2.5411      0.00000
    136       2.6265      0.00000
    137       2.7724      0.00000
    138       2.8327      0.00000
    139       2.8409      0.00000
    140       2.8640      0.00000
    141       3.0402      0.00000
    142       3.0980      0.00000
    143       3.1486      0.00000
    144       3.2192      0.00000
    145       3.3745      0.00000
    146       3.4144      0.00000
    147       3.4988      0.00000
    148       3.5403      0.00000
    149       3.5877      0.00000
    150       3.6046      0.00000
    151       3.6455      0.00000
    152       3.7315      0.00000
    153       3.7428      0.00000
    154       3.7773      0.00000
    155       3.8213      0.00000
    156       3.8790      0.00000
    157       4.0273      0.00000
    158       4.0831      0.00000
    159       4.1644      0.00000
    160       4.2088      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4251      1.00000
      2     -21.6024      1.00000
      3     -21.4802      1.00000
      4     -21.4713      1.00000
      5     -21.4396      1.00000
      6     -21.4389      1.00000
      7     -21.4286      1.00000
      8     -19.7070      1.00000
      9     -19.6517      1.00000
     10     -19.6291      1.00000
     11     -19.6172      1.00000
     12     -19.6123      1.00000
     13     -19.6112      1.00000
     14     -18.7895      1.00000
     15     -18.7537      1.00000
     16     -18.7347      1.00000
     17     -18.7252      1.00000
     18     -18.7172      1.00000
     19     -18.7122      1.00000
     20     -16.6361      1.00000
     21     -16.6088      1.00000
     22     -16.5848      1.00000
     23     -16.5821      1.00000
     24     -16.5541      1.00000
     25     -16.5530      1.00000
     26     -15.6140      1.00000
     27     -15.6015      1.00000
     28     -15.5983      1.00000
     29     -15.5643      1.00000
     30     -15.5624      1.00000
     31     -15.5613      1.00000
     32     -14.2595      1.00000
     33     -14.2508      1.00000
     34     -14.2410      1.00000
     35     -14.2360      1.00000
     36     -14.2224      1.00000
     37     -14.2189      1.00000
     38     -11.9065      1.00000
     39     -11.8798      1.00000
     40     -11.8683      1.00000
     41     -11.8670      1.00000
     42     -11.8457      1.00000
     43     -11.8455      1.00000
     44     -11.7706      1.00000
     45     -11.7690      1.00000
     46     -11.7350      1.00000
     47     -11.7287      1.00000
     48     -11.7258      1.00000
     49     -11.7213      1.00000
     50     -10.6757      1.00000
     51     -10.3887      1.00000
     52     -10.3838      1.00000
     53     -10.3769      1.00000
     54     -10.3685      1.00000
     55     -10.3555      1.00000
     56     -10.3535      1.00000
     57      -9.9041      1.00000
     58      -9.4497      1.00000
     59      -9.4046      1.00000
     60      -9.3615      1.00000
     61      -9.3608      1.00000
     62      -9.3529      1.00000
     63      -9.1422      1.00000
     64      -9.1242      1.00000
     65      -9.1214      1.00000
     66      -9.0859      1.00000
     67      -9.0716      1.00000
     68      -9.0713      1.00000
     69      -9.0705      1.00000
     70      -9.0664      1.00000
     71      -9.0645      1.00000
     72      -9.0404      1.00000
     73      -9.0295      1.00000
     74      -9.0264      1.00000
     75      -8.1300      1.00000
     76      -7.7487      1.00000
     77      -7.4705      1.00000
     78      -7.4667      1.00000
     79      -7.4556      1.00000
     80      -7.4353      1.00000
     81      -7.4247      1.00000
     82      -7.4078      1.00000
     83      -7.3129      1.00000
     84      -7.2704      1.00000
     85      -7.2569      1.00000
     86      -7.2484      1.00000
     87      -7.1494      1.00000
     88      -7.0497      1.00000
     89      -6.4461      1.00000
     90      -6.4164      1.00000
     91      -6.4008      1.00000
     92      -6.3632      1.00000
     93      -6.3526      1.00000
     94      -6.3404      1.00000
     95      -5.9614      1.00000
     96      -5.9587      1.00000
     97      -4.8087      1.00000
     98      -4.5460      1.00000
     99      -4.4821      1.00000
    100      -4.4759      1.00000
    101      -4.3827      1.00000
    102      -4.3825      1.00000
    103      -4.2691      1.00000
    104      -4.1887      1.00000
    105      -3.7405      1.00000
    106      -3.4793      1.00000
    107      -1.8644      0.00000
    108      -1.6717      0.00000
    109      -1.6260      0.00000
    110      -1.5933      0.00000
    111      -1.5774      0.00000
    112      -1.5767      0.00000
    113      -0.4295      0.00000
    114       0.1447      0.00000
    115       0.1892      0.00000
    116       0.2529      0.00000
    117       0.2658      0.00000
    118       0.2686      0.00000
    119       0.4772      0.00000
    120       0.5470      0.00000
    121       1.2488      0.00000
    122       1.2906      0.00000
    123       1.5346      0.00000
    124       1.7698      0.00000
    125       1.7727      0.00000
    126       1.7729      0.00000
    127       1.8050      0.00000
    128       1.8265      0.00000
    129       1.9551      0.00000
    130       1.9659      0.00000
    131       1.9708      0.00000
    132       1.9854      0.00000
    133       1.9929      0.00000
    134       2.0771      0.00000
    135       2.2476      0.00000
    136       2.3462      0.00000
    137       2.6052      0.00000
    138       2.6068      0.00000
    139       2.6326      0.00000
    140       2.7061      0.00000
    141       2.9354      0.00000
    142       3.0533      0.00000
    143       3.0700      0.00000
    144       3.1015      0.00000
    145       3.1019      0.00000
    146       3.1055      0.00000
    147       3.1122      0.00000
    148       3.2744      0.00000
    149       3.4532      0.00000
    150       3.5032      0.00000
    151       3.8231      0.00000
    152       3.9467      0.00000
    153       3.9492      0.00000
    154       3.9516      0.00000
    155       3.9554      0.00000
    156       3.9955      0.00000
    157       4.1938      0.00000
    158       4.2613      0.00000
    159       4.2821      0.00000
    160       4.2834      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3884      1.00000
      2     -21.8295      1.00000
      3     -21.6371      1.00000
      4     -21.6092      1.00000
      5     -21.2737      1.00000
      6     -21.2342      1.00000
      7     -21.0559      1.00000
      8     -20.1670      1.00000
      9     -20.1287      1.00000
     10     -19.6077      1.00000
     11     -19.5967      1.00000
     12     -19.4167      1.00000
     13     -19.0894      1.00000
     14     -19.0589      1.00000
     15     -19.0485      1.00000
     16     -19.0409      1.00000
     17     -18.3602      1.00000
     18     -18.3517      1.00000
     19     -18.0192      1.00000
     20     -17.0697      1.00000
     21     -17.0307      1.00000
     22     -16.9448      1.00000
     23     -16.9393      1.00000
     24     -16.4682      1.00000
     25     -16.4626      1.00000
     26     -15.6134      1.00000
     27     -15.6068      1.00000
     28     -15.2526      1.00000
     29     -15.2440      1.00000
     30     -15.1849      1.00000
     31     -15.0980      1.00000
     32     -15.0712      1.00000
     33     -14.6982      1.00000
     34     -14.6963      1.00000
     35     -13.7267      1.00000
     36     -13.7238      1.00000
     37     -13.2366      1.00000
     38     -12.6153      1.00000
     39     -12.5849      1.00000
     40     -12.4543      1.00000
     41     -12.4502      1.00000
     42     -12.1104      1.00000
     43     -12.1053      1.00000
     44     -11.7166      1.00000
     45     -11.6855      1.00000
     46     -11.2357      1.00000
     47     -11.2270      1.00000
     48     -11.0184      1.00000
     49     -11.0102      1.00000
     50     -10.9263      1.00000
     51     -10.9047      1.00000
     52     -10.6307      1.00000
     53     -10.1563      1.00000
     54     -10.1505      1.00000
     55     -10.0933      1.00000
     56      -9.9984      1.00000
     57      -9.7027      1.00000
     58      -9.6961      1.00000
     59      -9.6553      1.00000
     60      -9.5920      1.00000
     61      -9.5768      1.00000
     62      -9.5589      1.00000
     63      -9.3088      1.00000
     64      -9.3036      1.00000
     65      -9.2735      1.00000
     66      -9.2361      1.00000
     67      -9.1359      1.00000
     68      -9.1175      1.00000
     69      -9.1108      1.00000
     70      -8.9390      1.00000
     71      -8.8718      1.00000
     72      -8.6056      1.00000
     73      -8.5918      1.00000
     74      -8.2367      1.00000
     75      -8.1027      1.00000
     76      -7.9138      1.00000
     77      -7.8640      1.00000
     78      -7.7734      1.00000
     79      -7.7580      1.00000
     80      -7.6919      1.00000
     81      -7.5620      1.00000
     82      -7.3406      1.00000
     83      -7.3241      1.00000
     84      -7.2038      1.00000
     85      -7.1235      1.00000
     86      -7.0320      1.00000
     87      -7.0128      1.00000
     88      -6.7045      1.00000
     89      -6.6777      1.00000
     90      -6.6412      1.00000
     91      -6.5975      1.00000
     92      -6.1184      1.00000
     93      -6.0629      1.00000
     94      -6.0320      1.00000
     95      -6.0111      1.00000
     96      -5.7840      1.00000
     97      -4.9763      1.00000
     98      -4.8328      1.00000
     99      -4.7480      1.00000
    100      -4.6804      1.00000
    101      -4.4705      1.00000
    102      -4.2052      1.00000
    103      -4.1728      1.00000
    104      -4.1291      1.00000
    105      -3.7307      1.00000
    106      -3.4896      1.00000
    107      -1.8726      0.00000
    108      -1.8104      0.00000
    109      -1.5267      0.00000
    110      -1.3790      0.00000
    111      -1.3232      0.00000
    112      -1.2901      0.00000
    113      -0.7220      0.00000
    114      -0.3778      0.00000
    115      -0.2513      0.00000
    116       0.0374      0.00000
    117       0.5553      0.00000
    118       0.6967      0.00000
    119       0.7437      0.00000
    120       1.0465      0.00000
    121       1.0970      0.00000
    122       1.1484      0.00000
    123       1.2253      0.00000
    124       1.3772      0.00000
    125       1.5229      0.00000
    126       1.5800      0.00000
    127       1.7142      0.00000
    128       1.8171      0.00000
    129       1.8553      0.00000
    130       1.8789      0.00000
    131       2.0970      0.00000
    132       2.1846      0.00000
    133       2.2403      0.00000
    134       2.3041      0.00000
    135       2.5104      0.00000
    136       2.5850      0.00000
    137       2.6431      0.00000
    138       2.7756      0.00000
    139       2.7923      0.00000
    140       2.8224      0.00000
    141       2.8655      0.00000
    142       2.8967      0.00000
    143       2.9496      0.00000
    144       3.0758      0.00000
    145       3.1504      0.00000
    146       3.3206      0.00000
    147       3.3881      0.00000
    148       3.4346      0.00000
    149       3.4632      0.00000
    150       3.6117      0.00000
    151       3.6451      0.00000
    152       3.6647      0.00000
    153       3.7101      0.00000
    154       3.9068      0.00000
    155       3.9622      0.00000
    156       4.0159      0.00000
    157       4.0720      0.00000
    158       4.2321      0.00000
    159       4.2461      0.00000
    160       4.2796      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2825      1.00000
      2     -22.0768      1.00000
      3     -21.7155      1.00000
      4     -21.6836      1.00000
      5     -20.9786      1.00000
      6     -20.9378      1.00000
      7     -20.6111      1.00000
      8     -20.5744      1.00000
      9     -20.5680      1.00000
     10     -20.0320      1.00000
     11     -19.5025      1.00000
     12     -19.4908      1.00000
     13     -19.3059      1.00000
     14     -19.3008      1.00000
     15     -18.4476      1.00000
     16     -18.4107      1.00000
     17     -17.9222      1.00000
     18     -17.9123      1.00000
     19     -17.7617      1.00000
     20     -17.7258      1.00000
     21     -17.4361      1.00000
     22     -17.4280      1.00000
     23     -17.3416      1.00000
     24     -16.4627      1.00000
     25     -16.4612      1.00000
     26     -15.9666      1.00000
     27     -15.4135      1.00000
     28     -15.4086      1.00000
     29     -15.0958      1.00000
     30     -15.0931      1.00000
     31     -14.8557      1.00000
     32     -14.8484      1.00000
     33     -14.2909      1.00000
     34     -14.2580      1.00000
     35     -13.4376      1.00000
     36     -13.4049      1.00000
     37     -13.1780      1.00000
     38     -13.1741      1.00000
     39     -12.9811      1.00000
     40     -12.9762      1.00000
     41     -12.6140      1.00000
     42     -12.6098      1.00000
     43     -12.1989      1.00000
     44     -11.5759      1.00000
     45     -11.5420      1.00000
     46     -11.3101      1.00000
     47     -11.2871      1.00000
     48     -11.1435      1.00000
     49     -10.6769      1.00000
     50     -10.6614      1.00000
     51     -10.5531      1.00000
     52     -10.3251      1.00000
     53     -10.3175      1.00000
     54     -10.1683      1.00000
     55     -10.1166      1.00000
     56     -10.1128      1.00000
     57      -9.7975      1.00000
     58      -9.7670      1.00000
     59      -9.7513      1.00000
     60      -9.6998      1.00000
     61      -9.6986      1.00000
     62      -9.6611      1.00000
     63      -9.3566      1.00000
     64      -9.3509      1.00000
     65      -9.3149      1.00000
     66      -9.0411      1.00000
     67      -8.9639      1.00000
     68      -8.9496      1.00000
     69      -8.7989      1.00000
     70      -8.5946      1.00000
     71      -8.5574      1.00000
     72      -8.3981      1.00000
     73      -8.3646      1.00000
     74      -8.3256      1.00000
     75      -8.3081      1.00000
     76      -8.2603      1.00000
     77      -8.2580      1.00000
     78      -8.2363      1.00000
     79      -7.9044      1.00000
     80      -7.6516      1.00000
     81      -7.5507      1.00000
     82      -7.3881      1.00000
     83      -7.3509      1.00000
     84      -7.2330      1.00000
     85      -7.0958      1.00000
     86      -7.0386      1.00000
     87      -6.9335      1.00000
     88      -6.8480      1.00000
     89      -6.6133      1.00000
     90      -6.5611      1.00000
     91      -6.2706      1.00000
     92      -6.0444      1.00000
     93      -5.9519      1.00000
     94      -5.6635      1.00000
     95      -5.6225      1.00000
     96      -5.4644      1.00000
     97      -5.3211      1.00000
     98      -5.2793      1.00000
     99      -5.2149      1.00000
    100      -5.1938      1.00000
    101      -4.5103      1.00000
    102      -4.2095      1.00000
    103      -4.0607      1.00000
    104      -3.9901      1.00000
    105      -3.6953      1.00000
    106      -3.4998      1.00000
    107      -1.9486      0.00000
    108      -1.8978      0.00000
    109      -1.3416      0.00000
    110      -1.0868      0.00000
    111      -1.0595      0.00000
    112      -0.8024      0.00000
    113      -0.6789      0.00000
    114      -0.6491      0.00000
    115      -0.6096      0.00000
    116      -0.1083      0.00000
    117       0.2127      0.00000
    118       0.3287      0.00000
    119       0.6937      0.00000
    120       0.8880      0.00000
    121       1.1254      0.00000
    122       1.1963      0.00000
    123       1.3260      0.00000
    124       1.4198      0.00000
    125       1.5513      0.00000
    126       1.5730      0.00000
    127       1.6766      0.00000
    128       1.8092      0.00000
    129       1.8815      0.00000
    130       2.0531      0.00000
    131       2.1269      0.00000
    132       2.3284      0.00000
    133       2.3600      0.00000
    134       2.3933      0.00000
    135       2.5436      0.00000
    136       2.6289      0.00000
    137       2.7269      0.00000
    138       2.7636      0.00000
    139       2.8298      0.00000
    140       2.8782      0.00000
    141       3.0425      0.00000
    142       3.0530      0.00000
    143       3.1607      0.00000
    144       3.2623      0.00000
    145       3.3585      0.00000
    146       3.4132      0.00000
    147       3.4314      0.00000
    148       3.5611      0.00000
    149       3.5783      0.00000
    150       3.5951      0.00000
    151       3.6564      0.00000
    152       3.6748      0.00000
    153       3.7785      0.00000
    154       3.7985      0.00000
    155       3.8113      0.00000
    156       3.8967      0.00000
    157       3.9179      0.00000
    158       4.0007      0.00000
    159       4.2109      0.00000
    160       4.2281      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3164      1.00000
      2     -21.9618      1.00000
      3     -21.8925      1.00000
      4     -21.3799      1.00000
      5     -21.3504      1.00000
      6     -20.8391      1.00000
      7     -20.7736      1.00000
      8     -20.6235      1.00000
      9     -20.0766      1.00000
     10     -20.0709      1.00000
     11     -19.7164      1.00000
     12     -19.6917      1.00000
     13     -18.9959      1.00000
     14     -18.9899      1.00000
     15     -18.6397      1.00000
     16     -18.6237      1.00000
     17     -18.4624      1.00000
     18     -17.6761      1.00000
     19     -17.6253      1.00000
     20     -17.6226      1.00000
     21     -17.5807      1.00000
     22     -17.1263      1.00000
     23     -17.1048      1.00000
     24     -16.9613      1.00000
     25     -16.0012      1.00000
     26     -15.9287      1.00000
     27     -15.5856      1.00000
     28     -15.5853      1.00000
     29     -15.2875      1.00000
     30     -14.8640      1.00000
     31     -14.8367      1.00000
     32     -14.5801      1.00000
     33     -14.5382      1.00000
     34     -14.1680      1.00000
     35     -14.1544      1.00000
     36     -13.1485      1.00000
     37     -13.1007      1.00000
     38     -13.0309      1.00000
     39     -13.0209      1.00000
     40     -12.7103      1.00000
     41     -12.7061      1.00000
     42     -12.3406      1.00000
     43     -12.3093      1.00000
     44     -11.6360      1.00000
     45     -11.6222      1.00000
     46     -11.5716      1.00000
     47     -10.9492      1.00000
     48     -10.9160      1.00000
     49     -10.6336      1.00000
     50     -10.6261      1.00000
     51     -10.5477      1.00000
     52     -10.4990      1.00000
     53     -10.4987      1.00000
     54     -10.4410      1.00000
     55     -10.3624      1.00000
     56     -10.0987      1.00000
     57      -9.9024      1.00000
     58      -9.6109      1.00000
     59      -9.5585      1.00000
     60      -9.4522      1.00000
     61      -9.4118      1.00000
     62      -9.4054      1.00000
     63      -9.3786      1.00000
     64      -9.3785      1.00000
     65      -9.2865      1.00000
     66      -9.1689      1.00000
     67      -9.1434      1.00000
     68      -9.1150      1.00000
     69      -8.8645      1.00000
     70      -8.8568      1.00000
     71      -8.8151      1.00000
     72      -8.5965      1.00000
     73      -8.4798      1.00000
     74      -8.1990      1.00000
     75      -8.1635      1.00000
     76      -8.0085      1.00000
     77      -7.9650      1.00000
     78      -7.8529      1.00000
     79      -7.8427      1.00000
     80      -7.7060      1.00000
     81      -7.6990      1.00000
     82      -7.6214      1.00000
     83      -7.4494      1.00000
     84      -7.2999      1.00000
     85      -7.2543      1.00000
     86      -6.9072      1.00000
     87      -6.8934      1.00000
     88      -6.5885      1.00000
     89      -6.5512      1.00000
     90      -6.4092      1.00000
     91      -6.2529      1.00000
     92      -6.2324      1.00000
     93      -6.2058      1.00000
     94      -6.0238      1.00000
     95      -5.5511      1.00000
     96      -5.4899      1.00000
     97      -5.3516      1.00000
     98      -5.2207      1.00000
     99      -4.9795      1.00000
    100      -4.7337      1.00000
    101      -4.6789      1.00000
    102      -4.3887      1.00000
    103      -4.2048      1.00000
    104      -3.8727      1.00000
    105      -3.5469      1.00000
    106      -3.5120      1.00000
    107      -2.2579      0.00000
    108      -1.4595      0.00000
    109      -1.3724      0.00000
    110      -1.2437      0.00000
    111      -1.1002      0.00000
    112      -0.9472      0.00000
    113      -0.8658      0.00000
    114      -0.8053      0.00000
    115      -0.1391      0.00000
    116       0.1098      0.00000
    117       0.2391      0.00000
    118       0.3766      0.00000
    119       0.6511      0.00000
    120       0.8336      0.00000
    121       0.9338      0.00000
    122       1.0635      0.00000
    123       1.2320      0.00000
    124       1.4488      0.00000
    125       1.5477      0.00000
    126       1.7629      0.00000
    127       1.7906      0.00000
    128       1.8748      0.00000
    129       1.9662      0.00000
    130       2.0462      0.00000
    131       2.1729      0.00000
    132       2.1947      0.00000
    133       2.4087      0.00000
    134       2.4641      0.00000
    135       2.5340      0.00000
    136       2.6010      0.00000
    137       2.6376      0.00000
    138       2.6936      0.00000
    139       2.7713      0.00000
    140       2.8330      0.00000
    141       2.9464      0.00000
    142       3.0771      0.00000
    143       3.1987      0.00000
    144       3.2137      0.00000
    145       3.2611      0.00000
    146       3.3195      0.00000
    147       3.3269      0.00000
    148       3.4669      0.00000
    149       3.4954      0.00000
    150       3.6957      0.00000
    151       3.7105      0.00000
    152       3.7302      0.00000
    153       3.8553      0.00000
    154       3.9154      0.00000
    155       3.9398      0.00000
    156       3.9748      0.00000
    157       4.0143      0.00000
    158       4.0329      0.00000
    159       4.0473      0.00000
    160       4.0639      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2095      1.00000
      2     -22.1163      1.00000
      3     -21.9557      1.00000
      4     -21.4034      1.00000
      5     -21.0490      1.00000
      6     -21.0130      1.00000
      7     -20.5000      1.00000
      8     -20.4604      1.00000
      9     -20.2944      1.00000
     10     -20.2749      1.00000
     11     -19.9568      1.00000
     12     -19.8909      1.00000
     13     -18.8819      1.00000
     14     -18.8131      1.00000
     15     -18.3530      1.00000
     16     -18.3066      1.00000
     17     -18.1529      1.00000
     18     -18.1355      1.00000
     19     -17.8269      1.00000
     20     -17.7891      1.00000
     21     -17.2525      1.00000
     22     -17.2411      1.00000
     23     -17.1658      1.00000
     24     -17.1325      1.00000
     25     -16.1094      1.00000
     26     -15.8849      1.00000
     27     -15.8697      1.00000
     28     -15.8343      1.00000
     29     -15.2376      1.00000
     30     -14.5550      1.00000
     31     -14.5271      1.00000
     32     -14.2814      1.00000
     33     -13.9647      1.00000
     34     -13.9570      1.00000
     35     -13.8214      1.00000
     36     -13.8052      1.00000
     37     -13.6153      1.00000
     38     -13.5712      1.00000
     39     -13.3690      1.00000
     40     -12.6341      1.00000
     41     -12.1818      1.00000
     42     -12.1335      1.00000
     43     -12.0716      1.00000
     44     -12.0192      1.00000
     45     -11.6712      1.00000
     46     -11.6576      1.00000
     47     -11.1396      1.00000
     48     -11.1190      1.00000
     49     -10.7945      1.00000
     50     -10.7307      1.00000
     51     -10.5291      1.00000
     52     -10.2108      1.00000
     53     -10.2055      1.00000
     54     -10.1635      1.00000
     55     -10.0188      1.00000
     56     -10.0038      1.00000
     57      -9.9907      1.00000
     58      -9.8022      1.00000
     59      -9.7986      1.00000
     60      -9.7635      1.00000
     61      -9.7588      1.00000
     62      -9.4543      1.00000
     63      -9.4169      1.00000
     64      -9.0804      1.00000
     65      -9.0741      1.00000
     66      -9.0414      1.00000
     67      -8.9565      1.00000
     68      -8.8767      1.00000
     69      -8.7136      1.00000
     70      -8.7012      1.00000
     71      -8.5661      1.00000
     72      -8.5431      1.00000
     73      -8.4993      1.00000
     74      -8.4642      1.00000
     75      -8.4537      1.00000
     76      -8.2601      1.00000
     77      -8.1254      1.00000
     78      -8.0431      1.00000
     79      -7.9171      1.00000
     80      -7.8634      1.00000
     81      -7.6148      1.00000
     82      -7.5492      1.00000
     83      -7.4897      1.00000
     84      -7.2695      1.00000
     85      -6.9977      1.00000
     86      -6.9252      1.00000
     87      -6.8840      1.00000
     88      -6.5336      1.00000
     89      -6.4881      1.00000
     90      -6.4613      1.00000
     91      -6.4099      1.00000
     92      -5.9846      1.00000
     93      -5.8980      1.00000
     94      -5.7853      1.00000
     95      -5.7594      1.00000
     96      -5.4332      1.00000
     97      -5.3300      1.00000
     98      -5.2310      1.00000
     99      -5.2188      1.00000
    100      -5.1883      1.00000
    101      -4.6931      1.00000
    102      -4.4229      1.00000
    103      -4.2114      1.00000
    104      -3.8360      1.00000
    105      -3.5312      1.00000
    106      -3.2750      1.00000
    107      -2.5328      0.00000
    108      -1.4607      0.00000
    109      -1.2682      0.00000
    110      -1.2046      0.00000
    111      -1.1742      0.00000
    112      -0.7218      0.00000
    113      -0.5058      0.00000
    114      -0.4139      0.00000
    115      -0.3414      0.00000
    116      -0.1478      0.00000
    117      -0.0055      0.00000
    118       0.1940      0.00000
    119       0.5603      0.00000
    120       0.6099      0.00000
    121       0.7956      0.00000
    122       0.9070      0.00000
    123       1.1321      0.00000
    124       1.4920      0.00000
    125       1.6357      0.00000
    126       1.8499      0.00000
    127       1.9256      0.00000
    128       2.1022      0.00000
    129       2.1138      0.00000
    130       2.1545      0.00000
    131       2.1904      0.00000
    132       2.2765      0.00000
    133       2.3410      0.00000
    134       2.4743      0.00000
    135       2.5824      0.00000
    136       2.6550      0.00000
    137       2.8507      0.00000
    138       2.8675      0.00000
    139       2.8904      0.00000
    140       3.0066      0.00000
    141       3.0202      0.00000
    142       3.1379      0.00000
    143       3.1854      0.00000
    144       3.2277      0.00000
    145       3.2706      0.00000
    146       3.2815      0.00000
    147       3.2974      0.00000
    148       3.3438      0.00000
    149       3.4220      0.00000
    150       3.4486      0.00000
    151       3.5544      0.00000
    152       3.6235      0.00000
    153       3.7126      0.00000
    154       3.7364      0.00000
    155       3.7702      0.00000
    156       3.8932      0.00000
    157       3.9367      0.00000
    158       4.0027      0.00000
    159       4.1267      0.00000
    160       4.2200      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3162      1.00000
      2     -21.9633      1.00000
      3     -21.8910      1.00000
      4     -21.3837      1.00000
      5     -21.3472      1.00000
      6     -20.8385      1.00000
      7     -20.7720      1.00000
      8     -20.6240      1.00000
      9     -20.0890      1.00000
     10     -20.0602      1.00000
     11     -19.7178      1.00000
     12     -19.6889      1.00000
     13     -19.0095      1.00000
     14     -18.9782      1.00000
     15     -18.6498      1.00000
     16     -18.6168      1.00000
     17     -18.4600      1.00000
     18     -17.6605      1.00000
     19     -17.6462      1.00000
     20     -17.6102      1.00000
     21     -17.5775      1.00000
     22     -17.1376      1.00000
     23     -17.0973      1.00000
     24     -16.9667      1.00000
     25     -16.0092      1.00000
     26     -15.9225      1.00000
     27     -15.5986      1.00000
     28     -15.5750      1.00000
     29     -15.2798      1.00000
     30     -14.8769      1.00000
     31     -14.8298      1.00000
     32     -14.5748      1.00000
     33     -14.5369      1.00000
     34     -14.1645      1.00000
     35     -14.1602      1.00000
     36     -13.1631      1.00000
     37     -13.0953      1.00000
     38     -13.0231      1.00000
     39     -13.0187      1.00000
     40     -12.7182      1.00000
     41     -12.6948      1.00000
     42     -12.3406      1.00000
     43     -12.3134      1.00000
     44     -11.6330      1.00000
     45     -11.6235      1.00000
     46     -11.5699      1.00000
     47     -10.9413      1.00000
     48     -10.9233      1.00000
     49     -10.6699      1.00000
     50     -10.5903      1.00000
     51     -10.5735      1.00000
     52     -10.5019      1.00000
     53     -10.4891      1.00000
     54     -10.4400      1.00000
     55     -10.3557      1.00000
     56     -10.1031      1.00000
     57      -9.8967      1.00000
     58      -9.6084      1.00000
     59      -9.5511      1.00000
     60      -9.4541      1.00000
     61      -9.4201      1.00000
     62      -9.4092      1.00000
     63      -9.3791      1.00000
     64      -9.3722      1.00000
     65      -9.2668      1.00000
     66      -9.1669      1.00000
     67      -9.1429      1.00000
     68      -9.1163      1.00000
     69      -8.8672      1.00000
     70      -8.8611      1.00000
     71      -8.8021      1.00000
     72      -8.5957      1.00000
     73      -8.5266      1.00000
     74      -8.1944      1.00000
     75      -8.1714      1.00000
     76      -8.0757      1.00000
     77      -7.8583      1.00000
     78      -7.8374      1.00000
     79      -7.8242      1.00000
     80      -7.7118      1.00000
     81      -7.6972      1.00000
     82      -7.5969      1.00000
     83      -7.5310      1.00000
     84      -7.3501      1.00000
     85      -7.1682      1.00000
     86      -6.9070      1.00000
     87      -6.8971      1.00000
     88      -6.5929      1.00000
     89      -6.5510      1.00000
     90      -6.4072      1.00000
     91      -6.3027      1.00000
     92      -6.2478      1.00000
     93      -6.2031      1.00000
     94      -6.0040      1.00000
     95      -5.5327      1.00000
     96      -5.4651      1.00000
     97      -5.3147      1.00000
     98      -5.2097      1.00000
     99      -5.0483      1.00000
    100      -4.7250      1.00000
    101      -4.6723      1.00000
    102      -4.4254      1.00000
    103      -4.1965      1.00000
    104      -3.8447      1.00000
    105      -3.6362      1.00000
    106      -3.4176      1.00000
    107      -2.2942      0.00000
    108      -1.5119      0.00000
    109      -1.2719      0.00000
    110      -1.2642      0.00000
    111      -1.0364      0.00000
    112      -0.9789      0.00000
    113      -0.8700      0.00000
    114      -0.8018      0.00000
    115      -0.2620      0.00000
    116       0.2016      0.00000
    117       0.2369      0.00000
    118       0.3594      0.00000
    119       0.6902      0.00000
    120       0.8917      0.00000
    121       0.9218      0.00000
    122       1.0403      0.00000
    123       1.1671      0.00000
    124       1.5090      0.00000
    125       1.5572      0.00000
    126       1.7090      0.00000
    127       1.7762      0.00000
    128       1.8324      0.00000
    129       1.9648      0.00000
    130       1.9825      0.00000
    131       2.1863      0.00000
    132       2.2585      0.00000
    133       2.4123      0.00000
    134       2.4690      0.00000
    135       2.5356      0.00000
    136       2.5968      0.00000
    137       2.6148      0.00000
    138       2.6970      0.00000
    139       2.7518      0.00000
    140       2.8625      0.00000
    141       3.0338      0.00000
    142       3.0758      0.00000
    143       3.1893      0.00000
    144       3.2458      0.00000
    145       3.2643      0.00000
    146       3.2981      0.00000
    147       3.3457      0.00000
    148       3.4517      0.00000
    149       3.5176      0.00000
    150       3.6900      0.00000
    151       3.7130      0.00000
    152       3.7528      0.00000
    153       3.8306      0.00000
    154       3.8907      0.00000
    155       3.9273      0.00000
    156       3.9748      0.00000
    157       4.0043      0.00000
    158       4.0417      0.00000
    159       4.0440      0.00000
    160       4.0937      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3884      1.00000
      2     -21.8297      1.00000
      3     -21.6404      1.00000
      4     -21.6054      1.00000
      5     -21.2779      1.00000
      6     -21.2307      1.00000
      7     -21.0552      1.00000
      8     -20.1706      1.00000
      9     -20.1244      1.00000
     10     -19.6166      1.00000
     11     -19.5906      1.00000
     12     -19.4146      1.00000
     13     -19.0940      1.00000
     14     -19.0555      1.00000
     15     -19.0512      1.00000
     16     -19.0381      1.00000
     17     -18.3666      1.00000
     18     -18.3470      1.00000
     19     -18.0157      1.00000
     20     -17.0720      1.00000
     21     -17.0228      1.00000
     22     -16.9499      1.00000
     23     -16.9362      1.00000
     24     -16.4761      1.00000
     25     -16.4638      1.00000
     26     -15.6094      1.00000
     27     -15.6089      1.00000
     28     -15.2493      1.00000
     29     -15.2374      1.00000
     30     -15.1908      1.00000
     31     -15.1009      1.00000
     32     -15.0681      1.00000
     33     -14.6986      1.00000
     34     -14.6979      1.00000
     35     -13.7255      1.00000
     36     -13.7253      1.00000
     37     -13.2346      1.00000
     38     -12.6247      1.00000
     39     -12.5807      1.00000
     40     -12.4539      1.00000
     41     -12.4486      1.00000
     42     -12.1056      1.00000
     43     -12.1009      1.00000
     44     -11.7227      1.00000
     45     -11.6840      1.00000
     46     -11.2468      1.00000
     47     -11.2262      1.00000
     48     -11.0170      1.00000
     49     -11.0053      1.00000
     50     -10.9282      1.00000
     51     -10.8995      1.00000
     52     -10.6368      1.00000
     53     -10.1724      1.00000
     54     -10.1493      1.00000
     55     -10.0846      1.00000
     56      -9.9917      1.00000
     57      -9.6962      1.00000
     58      -9.6895      1.00000
     59      -9.6696      1.00000
     60      -9.5928      1.00000
     61      -9.5690      1.00000
     62      -9.5532      1.00000
     63      -9.3123      1.00000
     64      -9.2996      1.00000
     65      -9.2827      1.00000
     66      -9.2453      1.00000
     67      -9.1215      1.00000
     68      -9.1123      1.00000
     69      -9.1104      1.00000
     70      -8.9386      1.00000
     71      -8.8776      1.00000
     72      -8.6069      1.00000
     73      -8.5880      1.00000
     74      -8.2714      1.00000
     75      -8.1015      1.00000
     76      -7.8701      1.00000
     77      -7.8430      1.00000
     78      -7.7909      1.00000
     79      -7.7649      1.00000
     80      -7.7560      1.00000
     81      -7.4488      1.00000
     82      -7.3351      1.00000
     83      -7.3238      1.00000
     84      -7.2665      1.00000
     85      -7.1620      1.00000
     86      -7.0177      1.00000
     87      -6.9861      1.00000
     88      -6.7181      1.00000
     89      -6.6903      1.00000
     90      -6.6313      1.00000
     91      -6.5903      1.00000
     92      -6.1181      1.00000
     93      -6.0607      1.00000
     94      -6.0449      1.00000
     95      -6.0305      1.00000
     96      -5.7476      1.00000
     97      -4.9764      1.00000
     98      -4.8408      1.00000
     99      -4.7094      1.00000
    100      -4.6737      1.00000
    101      -4.4852      1.00000
    102      -4.3544      1.00000
    103      -4.1134      1.00000
    104      -4.0569      1.00000
    105      -3.7563      1.00000
    106      -3.4671      1.00000
    107      -1.9528      0.00000
    108      -1.7728      0.00000
    109      -1.4816      0.00000
    110      -1.3576      0.00000
    111      -1.3375      0.00000
    112      -1.2944      0.00000
    113      -0.6797      0.00000
    114      -0.4733      0.00000
    115      -0.2380      0.00000
    116       0.0516      0.00000
    117       0.5870      0.00000
    118       0.6895      0.00000
    119       0.7678      0.00000
    120       1.0213      0.00000
    121       1.0940      0.00000
    122       1.1757      0.00000
    123       1.2503      0.00000
    124       1.3337      0.00000
    125       1.4317      0.00000
    126       1.5964      0.00000
    127       1.7660      0.00000
    128       1.8400      0.00000
    129       1.8575      0.00000
    130       1.8853      0.00000
    131       2.0484      0.00000
    132       2.2160      0.00000
    133       2.2296      0.00000
    134       2.2826      0.00000
    135       2.4781      0.00000
    136       2.6140      0.00000
    137       2.6446      0.00000
    138       2.7481      0.00000
    139       2.7899      0.00000
    140       2.8322      0.00000
    141       2.8441      0.00000
    142       2.8771      0.00000
    143       2.9546      0.00000
    144       3.0799      0.00000
    145       3.3187      0.00000
    146       3.3568      0.00000
    147       3.4080      0.00000
    148       3.4201      0.00000
    149       3.4214      0.00000
    150       3.5929      0.00000
    151       3.6508      0.00000
    152       3.6699      0.00000
    153       3.7261      0.00000
    154       3.8915      0.00000
    155       3.9261      0.00000
    156       3.9569      0.00000
    157       4.1130      0.00000
    158       4.2059      0.00000
    159       4.2481      0.00000
    160       4.2812      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2086      1.00000
      2     -22.1176      1.00000
      3     -21.9554      1.00000
      4     -21.4037      1.00000
      5     -21.0451      1.00000
      6     -21.0166      1.00000
      7     -20.4953      1.00000
      8     -20.4651      1.00000
      9     -20.2850      1.00000
     10     -20.2830      1.00000
     11     -19.9562      1.00000
     12     -19.8930      1.00000
     13     -18.8834      1.00000
     14     -18.8156      1.00000
     15     -18.3368      1.00000
     16     -18.3177      1.00000
     17     -18.1487      1.00000
     18     -18.1412      1.00000
     19     -17.8151      1.00000
     20     -17.7970      1.00000
     21     -17.2587      1.00000
     22     -17.2390      1.00000
     23     -17.1593      1.00000
     24     -17.1361      1.00000
     25     -16.1155      1.00000
     26     -15.8802      1.00000
     27     -15.8690      1.00000
     28     -15.8418      1.00000
     29     -15.2306      1.00000
     30     -14.5517      1.00000
     31     -14.5331      1.00000
     32     -14.2756      1.00000
     33     -13.9746      1.00000
     34     -13.9509      1.00000
     35     -13.8253      1.00000
     36     -13.8030      1.00000
     37     -13.6044      1.00000
     38     -13.5790      1.00000
     39     -13.3689      1.00000
     40     -12.6379      1.00000
     41     -12.1697      1.00000
     42     -12.1432      1.00000
     43     -12.0681      1.00000
     44     -12.0212      1.00000
     45     -11.6646      1.00000
     46     -11.6597      1.00000
     47     -11.1383      1.00000
     48     -11.1272      1.00000
     49     -10.7919      1.00000
     50     -10.7356      1.00000
     51     -10.5359      1.00000
     52     -10.2078      1.00000
     53     -10.2015      1.00000
     54     -10.1692      1.00000
     55     -10.0225      1.00000
     56      -9.9932      1.00000
     57      -9.9900      1.00000
     58      -9.8049      1.00000
     59      -9.7955      1.00000
     60      -9.7658      1.00000
     61      -9.7583      1.00000
     62      -9.4565      1.00000
     63      -9.4170      1.00000
     64      -9.0848      1.00000
     65      -9.0460      1.00000
     66      -9.0251      1.00000
     67      -8.9714      1.00000
     68      -8.8973      1.00000
     69      -8.7080      1.00000
     70      -8.6987      1.00000
     71      -8.5624      1.00000
     72      -8.5513      1.00000
     73      -8.4779      1.00000
     74      -8.4602      1.00000
     75      -8.4569      1.00000
     76      -8.3084      1.00000
     77      -8.0947      1.00000
     78      -8.0884      1.00000
     79      -7.9269      1.00000
     80      -7.8316      1.00000
     81      -7.6009      1.00000
     82      -7.5393      1.00000
     83      -7.4425      1.00000
     84      -7.3169      1.00000
     85      -6.9944      1.00000
     86      -6.9198      1.00000
     87      -6.8827      1.00000
     88      -6.5303      1.00000
     89      -6.5159      1.00000
     90      -6.4826      1.00000
     91      -6.4210      1.00000
     92      -5.9272      1.00000
     93      -5.9052      1.00000
     94      -5.7890      1.00000
     95      -5.7753      1.00000
     96      -5.3698      1.00000
     97      -5.3637      1.00000
     98      -5.2202      1.00000
     99      -5.2160      1.00000
    100      -5.1995      1.00000
    101      -4.7220      1.00000
    102      -4.4441      1.00000
    103      -4.1926      1.00000
    104      -3.8222      1.00000
    105      -3.5676      1.00000
    106      -3.2228      1.00000
    107      -2.5639      0.00000
    108      -1.4659      0.00000
    109      -1.2681      0.00000
    110      -1.1871      0.00000
    111      -1.1857      0.00000
    112      -0.6468      0.00000
    113      -0.5535      0.00000
    114      -0.4171      0.00000
    115      -0.3501      0.00000
    116      -0.0791      0.00000
    117      -0.0652      0.00000
    118       0.1258      0.00000
    119       0.5903      0.00000
    120       0.6247      0.00000
    121       0.8552      0.00000
    122       0.9846      0.00000
    123       1.0038      0.00000
    124       1.4945      0.00000
    125       1.6844      0.00000
    126       1.7607      0.00000
    127       1.8588      0.00000
    128       2.1099      0.00000
    129       2.1503      0.00000
    130       2.1927      0.00000
    131       2.2065      0.00000
    132       2.2547      0.00000
    133       2.3539      0.00000
    134       2.4925      0.00000
    135       2.5196      0.00000
    136       2.6619      0.00000
    137       2.8496      0.00000
    138       2.8566      0.00000
    139       2.9509      0.00000
    140       2.9947      0.00000
    141       3.0345      0.00000
    142       3.1333      0.00000
    143       3.1989      0.00000
    144       3.2411      0.00000
    145       3.2436      0.00000
    146       3.2770      0.00000
    147       3.3006      0.00000
    148       3.3529      0.00000
    149       3.4244      0.00000
    150       3.5488      0.00000
    151       3.5649      0.00000
    152       3.6446      0.00000
    153       3.6644      0.00000
    154       3.7089      0.00000
    155       3.7322      0.00000
    156       3.8944      0.00000
    157       3.9569      0.00000
    158       4.0341      0.00000
    159       4.0716      0.00000
    160       4.1813      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2820      1.00000
      2     -22.0773      1.00000
      3     -21.7193      1.00000
      4     -21.6799      1.00000
      5     -20.9819      1.00000
      6     -20.9340      1.00000
      7     -20.6105      1.00000
      8     -20.5779      1.00000
      9     -20.5646      1.00000
     10     -20.0311      1.00000
     11     -19.5130      1.00000
     12     -19.4831      1.00000
     13     -19.3110      1.00000
     14     -19.2981      1.00000
     15     -18.4489      1.00000
     16     -18.4056      1.00000
     17     -17.9274      1.00000
     18     -17.9072      1.00000
     19     -17.7653      1.00000
     20     -17.7202      1.00000
     21     -17.4416      1.00000
     22     -17.4233      1.00000
     23     -17.3373      1.00000
     24     -16.4721      1.00000
     25     -16.4616      1.00000
     26     -15.9695      1.00000
     27     -15.4111      1.00000
     28     -15.4102      1.00000
     29     -15.0963      1.00000
     30     -15.0931      1.00000
     31     -14.8527      1.00000
     32     -14.8407      1.00000
     33     -14.2976      1.00000
     34     -14.2539      1.00000
     35     -13.4443      1.00000
     36     -13.4005      1.00000
     37     -13.1755      1.00000
     38     -13.1744      1.00000
     39     -12.9844      1.00000
     40     -12.9756      1.00000
     41     -12.6111      1.00000
     42     -12.6093      1.00000
     43     -12.1962      1.00000
     44     -11.5806      1.00000
     45     -11.5393      1.00000
     46     -11.3142      1.00000
     47     -11.2838      1.00000
     48     -11.1417      1.00000
     49     -10.6939      1.00000
     50     -10.6648      1.00000
     51     -10.5472      1.00000
     52     -10.3216      1.00000
     53     -10.3139      1.00000
     54     -10.1747      1.00000
     55     -10.1232      1.00000
     56     -10.1094      1.00000
     57      -9.8110      1.00000
     58      -9.7521      1.00000
     59      -9.7518      1.00000
     60      -9.7017      1.00000
     61      -9.6979      1.00000
     62      -9.6458      1.00000
     63      -9.3525      1.00000
     64      -9.3509      1.00000
     65      -9.3202      1.00000
     66      -9.0277      1.00000
     67      -8.9614      1.00000
     68      -8.9575      1.00000
     69      -8.7746      1.00000
     70      -8.5941      1.00000
     71      -8.5883      1.00000
     72      -8.4231      1.00000
     73      -8.3490      1.00000
     74      -8.3237      1.00000
     75      -8.3022      1.00000
     76      -8.2670      1.00000
     77      -8.2558      1.00000
     78      -8.2414      1.00000
     79      -7.9208      1.00000
     80      -7.7339      1.00000
     81      -7.3799      1.00000
     82      -7.3506      1.00000
     83      -7.3257      1.00000
     84      -7.2176      1.00000
     85      -7.1606      1.00000
     86      -7.0648      1.00000
     87      -6.9610      1.00000
     88      -6.9048      1.00000
     89      -6.6164      1.00000
     90      -6.5569      1.00000
     91      -6.2740      1.00000
     92      -5.9965      1.00000
     93      -5.9593      1.00000
     94      -5.6758      1.00000
     95      -5.6494      1.00000
     96      -5.3878      1.00000
     97      -5.3150      1.00000
     98      -5.2943      1.00000
     99      -5.2124      1.00000
    100      -5.2009      1.00000
    101      -4.5134      1.00000
    102      -4.3410      1.00000
    103      -3.9983      1.00000
    104      -3.8873      1.00000
    105      -3.7944      1.00000
    106      -3.4449      1.00000
    107      -2.0365      0.00000
    108      -1.8649      0.00000
    109      -1.2200      0.00000
    110      -1.1850      0.00000
    111      -1.0381      0.00000
    112      -0.7745      0.00000
    113      -0.6790      0.00000
    114      -0.6623      0.00000
    115      -0.6117      0.00000
    116      -0.1016      0.00000
    117       0.2200      0.00000
    118       0.2391      0.00000
    119       0.7691      0.00000
    120       0.9831      0.00000
    121       1.0726      0.00000
    122       1.2389      0.00000
    123       1.2494      0.00000
    124       1.3417      0.00000
    125       1.5745      0.00000
    126       1.5818      0.00000
    127       1.6982      0.00000
    128       1.7998      0.00000
    129       1.9441      0.00000
    130       1.9574      0.00000
    131       2.0897      0.00000
    132       2.2980      0.00000
    133       2.3406      0.00000
    134       2.4139      0.00000
    135       2.5412      0.00000
    136       2.6265      0.00000
    137       2.7724      0.00000
    138       2.8328      0.00000
    139       2.8409      0.00000
    140       2.8640      0.00000
    141       3.0403      0.00000
    142       3.0980      0.00000
    143       3.1486      0.00000
    144       3.2192      0.00000
    145       3.3745      0.00000
    146       3.4144      0.00000
    147       3.4988      0.00000
    148       3.5404      0.00000
    149       3.5877      0.00000
    150       3.6046      0.00000
    151       3.6455      0.00000
    152       3.7315      0.00000
    153       3.7428      0.00000
    154       3.7773      0.00000
    155       3.8213      0.00000
    156       3.8790      0.00000
    157       4.0273      0.00000
    158       4.0831      0.00000
    159       4.1645      0.00000
    160       4.2088      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0439   -7.3899    4.1987   -1.2764   -0.2389   17.5987    0.1473   -0.5323    0.6339   -0.4650
x    -3.0913   -0.0374   -0.0633    0.0617   -0.0091   -2.9778   -0.0111   -0.0070    0.0049    0.0016
x    -0.0966    0.0016   -0.0013    0.0004    0.0003   -0.0237   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0439    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0941   -0.0087    0.0375    0.0376
y    -0.0459   -3.2464   -0.5383   -0.1636   -1.1804   -0.6055
z   204.0439    1.1255   -0.2801    0.0409    0.0091    0.0617    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0775    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1375
z    -0.2841    0.1863   -0.0386    0.0473   -0.1052    0.0013
 total charge-density along one line
x   212.0000  -10.2200    6.1467   -2.0863   -0.4746   19.5157   -0.9961    0.4746   -0.0451   -0.1260
x    -2.6443   -0.0277   -0.0611    0.0846   -0.0533   -2.2247   -0.0251   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0355   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2200    6.1467   -2.0863   -0.4746   19.5157   -0.9961    0.4746   -0.0451   -0.1260
y    -2.6443   -0.0277   -0.0611    0.0846   -0.0533   -2.2247   -0.0251   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0355   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4935  189.2927 -170.3601  153.6268 -139.3957  125.3799 -110.0619   93.9162  -78.3061
z    64.1025  -51.4567   40.3967  -31.1933   24.0964  -18.9136   15.0032  -11.6962    8.6984   -6.1085
z     4.1205   -2.7499    1.8140   -1.1053    0.5355   -0.1235   -0.1143    0.2302   -0.3107    0.4005
z    -0.4768    0.4936   -0.4407    0.3556   -0.2864    0.2511   -0.2331    0.2085   -0.1709    0.1317
z    -0.1036    0.0879   -0.0767    0.0637   -0.0491    0.0374   -0.0309    0.0276   -0.0243    0.0198
z    -0.0151    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.842   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.103   0.000   0.030   0.007   0.000   0.220
  0.000   0.131   0.000 -11.157   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.836  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.220   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.842   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.103   0.000   0.030   0.007   0.000   0.220
  0.000   0.131   0.000 -11.157   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.836  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.220   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.312   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.031   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.312   0.000   0.630   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.312   0.000   0.000   0.158   0.000  -0.192   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.415   0.000   0.077   0.585  -0.239   0.000   0.057   0.000   0.000
  0.000  -0.312   0.000   0.630   0.000   0.000  -0.192   0.000   0.379   0.000   0.000   0.000  -0.051   0.000   0.069   0.006
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.041   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.369  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.031   0.000   0.010   0.082   0.000  -0.239   0.000  -0.047  -0.420   0.176   0.000  -0.033   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.057   0.000   0.053   0.283  -0.033   0.000   0.264   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.645   0.262   8.029   8.936
  2        0.521   0.027   0.000   0.549
  3        0.521   0.027   0.000   0.549
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.647
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.864   1.783   0.000   2.646
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.783   0.000   2.647
 15        0.864   1.784   0.000   2.647
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.648
 19        0.864   1.782   0.000   2.646
 20        0.864   1.783   0.000   2.646
 21        0.864   1.781   0.000   2.645
 22        0.864   1.770   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.782   0.000   2.646
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.782   0.000   2.646
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.781   0.000   2.645
 33        0.864   1.781   0.000   2.645
 34        0.864   1.782   0.000   2.646
 35        0.864   1.781   0.000   2.645
 36        0.864   1.770   0.000   2.634
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.646
 39        0.864   1.783   0.000   2.647
 40        0.863   1.785   0.000   2.648
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.647
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.646
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.646
 48        0.864   1.784   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.647
------------------------------------------------
tot       44.864  89.411   8.029 142.304
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  112.36: CPU time   56.71
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  436.28: CPU time  219.31
    STRESS:  VPU time 1312.79: CPU time  660.52
    FORCOR:  VPU time    8.67: CPU time    8.67
    FORHAR:  VPU time    2.28: CPU time    2.28
    MIXING:  VPU time    0.18: CPU time    0.17
 d Force = 0.3012526E-06[ 0.237E-06, 0.365E-06]  d Energy = 0.1964017E-05-0.166E-05
 d Force = 0.2542617E-01[ 0.254E-01, 0.254E-01]  d Ewald  =-0.6983081E+00 0.724E+00


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726323 eV

  energy  without entropy=     -471.726323  energy(sigma->0) =     -471.726323
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40820.21  40774.87 -47517.86    -39.26      0.00      0.00
  Hartree  40245.49  40226.39 -39504.06    -16.54      0.00      0.00
  E(xc)     -779.39   -779.68   -807.32     -0.25      0.00      0.00
  Local   -83349.91 -83294.44  84336.87     48.03      0.00      0.00
  n-local   -216.73   -215.59   -203.31      0.72      0.00      0.00
  augment     20.07     22.06     17.82      1.72      0.00      0.00
  Kinetic   3162.10   3175.58   3583.79      3.32      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.49     -0.61     -0.14     -0.10      0.00      0.00
  in kB       -0.30     -0.37     -0.09     -0.06      0.00      0.00
  external pressure =       -0.25 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.346794953  0.001481287  0.000000000     0.080987071  0.046745020  0.000000000
    -6.172121287 10.693374807  0.000000000    -0.000011219  0.093509371  0.000000000
     0.000000000  0.000000000 19.979557692     0.000000000  0.000000000  0.050051158

  length of vectors
    12.346795042 12.346794966 19.979557692     0.093509372  0.093509372  0.050051158


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.464E-05 -.490E-04 -.951E+03   0.451E-05 -.279E-04 0.960E+03   0.678E-20 0.339E-20 -.869E+01   -.350E-07 0.202E-07 0.168E-02
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.155E+01 -.892E+00 -.253E+01   0.483E-04 -.286E-04 0.209E-03
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.155E+01 0.892E+00 -.253E+01   -.483E-04 0.286E-04 0.209E-03
   -.203E+01 0.117E+01 0.163E+02   0.203E+01 -.117E+01 -.163E+02   -.166E-02 0.956E-03 -.235E-01   -.383E-03 0.218E-03 -.290E-04
   0.618E+01 0.686E+01 0.194E+02   -.617E+01 -.688E+01 -.193E+02   0.177E-02 0.192E-01 -.275E-01   -.241E-03 0.723E-04 -.106E-04
   0.112E+02 0.508E+01 0.161E+02   -.112E+02 -.509E+01 -.161E+02   0.218E-01 0.757E-02 -.488E-01   -.270E-03 0.200E-03 -.118E-06
   0.474E+01 -.894E+00 0.125E+02   -.475E+01 0.902E+00 -.125E+02   0.161E-01 -.831E-02 -.190E-01   -.327E-03 0.150E-03 0.846E-05
   -.307E+01 -.254E+01 0.126E+02   0.307E+01 0.254E+01 -.126E+02   -.494E-03 0.204E-02 -.126E-01   -.353E-03 0.212E-03 -.164E-04
   0.665E+00 0.393E+01 0.126E+02   -.665E+00 -.393E+01 -.126E+02   -.201E-02 -.590E-03 -.126E-01   -.366E-03 0.194E-03 -.197E-04
   0.242E+01 0.188E+02 0.240E+02   -.242E+01 -.189E+02 -.240E+02   -.585E-03 0.104E+00 -.474E-01   -.277E-03 0.321E-03 0.114E-05
   0.227E+02 0.214E+02 0.422E+02   -.228E+02 -.216E+02 -.422E+02   0.772E-01 0.263E+00 -.607E-01   -.437E-03 0.144E-03 0.490E-04
   0.268E+02 -.344E+01 0.257E+02   -.271E+02 0.355E+01 -.256E+02   0.271E+00 -.110E+00 -.330E-01   -.286E-03 0.619E-04 -.859E-04
   0.916E+01 -.529E+01 0.136E+02   -.920E+01 0.531E+01 -.136E+02   0.426E-01 -.246E-01 -.120E-01   -.322E-03 0.179E-03 -.543E-04
   0.314E+01 -.366E+01 0.125E+02   -.316E+01 0.367E+01 -.125E+02   0.152E-01 -.974E-02 -.190E-01   -.295E-03 0.204E-03 0.879E-06
   -.590E+01 0.136E+02 0.162E+02   0.590E+01 -.137E+02 -.161E+02   -.104E-02 0.710E-01 -.507E-01   -.396E-03 0.106E-03 -.309E-04
   -.118E+02 0.363E+02 0.478E+02   0.119E+02 -.369E+02 -.481E+02   -.296E-01 0.613E+00 0.295E+00   -.422E-03 0.764E-04 -.217E-04
   0.237E+02 -.137E+02 0.942E+02   -.244E+02 0.141E+02 -.962E+02   0.641E+00 -.370E+00 0.206E+01   -.165E-03 0.925E-04 -.154E-04
   0.164E+02 -.215E+02 0.257E+02   -.166E+02 0.217E+02 -.256E+02   0.230E+00 -.180E+00 -.330E-01   -.199E-03 0.209E-03 -.903E-04
   0.120E+01 -.122E+02 0.161E+02   -.121E+01 0.123E+02 -.161E+02   0.432E-02 -.226E-01 -.488E-01   -.305E-03 0.132E-03 -.507E-05
   -.413E+01 0.191E+01 0.116E+02   0.413E+01 -.192E+01 -.116E+02   0.940E-03 0.874E-02 -.436E-01   -.295E-03 0.148E-03 -.223E-04
   -.193E+02 0.111E+02 0.218E+02   0.193E+02 -.112E+02 -.218E+02   -.488E-01 0.282E-01 -.420E-01   -.265E-03 0.157E-03 -.117E-03
   -.374E+02 -.789E+01 0.478E+02   0.379E+02 0.817E+01 -.481E+02   -.546E+00 -.281E+00 0.295E+00   -.274E-03 0.327E-03 -.189E-04
   -.715E+01 -.304E+02 0.422E+02   0.734E+01 0.306E+02 -.422E+02   -.189E+00 -.198E+00 -.607E-01   -.340E-03 0.302E-03 0.473E-04
   -.285E+01 -.878E+01 0.194E+02   0.287E+01 0.879E+01 -.193E+02   -.158E-01 -.112E-01 -.275E-01   -.181E-03 0.170E-03 -.113E-04
   0.141E+01 -.812E+00 0.135E+02   -.141E+01 0.813E+00 -.134E+02   0.419E-03 -.242E-03 -.180E-01   -.315E-03 0.184E-03 -.185E-04
   -.372E+01 0.262E+01 0.116E+02   0.373E+01 -.262E+01 -.116E+02   -.710E-02 -.518E-02 -.436E-01   -.274E-03 0.186E-03 -.180E-04
   -.148E+02 -.171E+01 0.162E+02   0.148E+02 0.174E+01 -.161E+02   -.620E-01 -.346E-01 -.507E-01   -.287E-03 0.288E-03 -.240E-04
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.906E-01 -.516E-01 -.474E-01   -.415E-03 0.741E-04 0.374E-05
   0.285E+01 0.878E+01 0.194E+02   -.287E+01 -.879E+01 -.193E+02   0.158E-01 0.112E-01 -.275E-01   0.181E-03 -.170E-03 -.113E-04
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.906E-01 0.516E-01 -.474E-01   0.415E-03 -.741E-04 0.374E-05
   0.148E+02 0.171E+01 0.162E+02   -.148E+02 -.174E+01 -.161E+02   0.620E-01 0.346E-01 -.507E-01   0.287E-03 -.288E-03 -.240E-04
   0.372E+01 -.262E+01 0.116E+02   -.373E+01 0.262E+01 -.116E+02   0.710E-02 0.518E-02 -.436E-01   0.274E-03 -.186E-03 -.180E-04
   -.141E+01 0.812E+00 0.135E+02   0.141E+01 -.813E+00 -.134E+02   -.419E-03 0.242E-03 -.180E-01   0.315E-03 -.184E-03 -.185E-04
   -.120E+01 0.122E+02 0.161E+02   0.121E+01 -.123E+02 -.161E+02   -.432E-02 0.226E-01 -.488E-01   0.305E-03 -.132E-03 -.507E-05
   0.715E+01 0.304E+02 0.422E+02   -.734E+01 -.306E+02 -.422E+02   0.189E+00 0.198E+00 -.607E-01   0.340E-03 -.302E-03 0.473E-04
   0.374E+02 0.789E+01 0.478E+02   -.379E+02 -.817E+01 -.481E+02   0.546E+00 0.281E+00 0.295E+00   0.274E-03 -.327E-03 -.189E-04
   0.193E+02 -.111E+02 0.218E+02   -.193E+02 0.112E+02 -.218E+02   0.488E-01 -.282E-01 -.420E-01   0.265E-03 -.157E-03 -.117E-03
   0.413E+01 -.191E+01 0.116E+02   -.413E+01 0.192E+01 -.116E+02   -.940E-03 -.874E-02 -.436E-01   0.295E-03 -.148E-03 -.223E-04
   -.314E+01 0.366E+01 0.125E+02   0.316E+01 -.367E+01 -.125E+02   -.152E-01 0.974E-02 -.190E-01   0.295E-03 -.204E-03 0.880E-06
   -.164E+02 0.215E+02 0.257E+02   0.166E+02 -.217E+02 -.256E+02   -.230E+00 0.180E+00 -.330E-01   0.199E-03 -.209E-03 -.903E-04
   -.237E+02 0.137E+02 0.942E+02   0.244E+02 -.141E+02 -.962E+02   -.641E+00 0.370E+00 0.206E+01   0.165E-03 -.925E-04 -.154E-04
   0.118E+02 -.363E+02 0.478E+02   -.119E+02 0.369E+02 -.481E+02   0.296E-01 -.613E+00 0.295E+00   0.422E-03 -.764E-04 -.217E-04
   0.590E+01 -.136E+02 0.162E+02   -.590E+01 0.137E+02 -.161E+02   0.104E-02 -.710E-01 -.507E-01   0.396E-03 -.106E-03 -.309E-04
   -.666E+00 -.393E+01 0.126E+02   0.665E+00 0.393E+01 -.126E+02   0.201E-02 0.590E-03 -.126E-01   0.366E-03 -.194E-03 -.197E-04
   -.916E+01 0.529E+01 0.136E+02   0.920E+01 -.531E+01 -.136E+02   -.426E-01 0.246E-01 -.120E-01   0.322E-03 -.179E-03 -.543E-04
   -.268E+02 0.344E+01 0.257E+02   0.271E+02 -.355E+01 -.256E+02   -.271E+00 0.110E+00 -.330E-01   0.286E-03 -.619E-04 -.859E-04
   -.227E+02 -.214E+02 0.422E+02   0.228E+02 0.216E+02 -.422E+02   -.772E-01 -.263E+00 -.607E-01   0.437E-03 -.144E-03 0.490E-04
   -.242E+01 -.188E+02 0.240E+02   0.242E+01 0.189E+02 -.240E+02   0.585E-03 -.104E+00 -.474E-01   0.277E-03 -.321E-03 0.114E-05
   0.203E+01 -.117E+01 0.163E+02   -.203E+01 0.117E+01 -.163E+02   0.166E-02 -.956E-03 -.235E-01   0.383E-03 -.218E-03 -.290E-04
   0.307E+01 0.254E+01 0.126E+02   -.307E+01 -.254E+01 -.126E+02   0.494E-03 -.204E-02 -.126E-01   0.353E-03 -.212E-03 -.164E-04
   -.474E+01 0.894E+00 0.125E+02   0.475E+01 -.903E+00 -.125E+02   -.161E-01 0.831E-02 -.190E-01   0.327E-03 -.150E-03 0.846E-05
   -.112E+02 -.508E+01 0.161E+02   0.112E+02 0.509E+01 -.161E+02   -.218E-01 -.757E-02 -.488E-01   0.270E-03 -.200E-03 -.119E-06
   -.618E+01 -.686E+01 0.194E+02   0.617E+01 0.688E+01 -.193E+02   -.177E-02 -.192E-01 -.275E-01   0.241E-03 -.723E-04 -.106E-04
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.291E-03 0.100E+02   -.184E-12 -.378E-12 0.139E-12   0.150E-15 -.486E-16 -.100E+02   -.351E-07 0.202E-07 0.110E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85274      6.06022     12.25923         0.000000      0.000000      0.006839
      1.07552      6.50895     13.51829        -0.001103      0.000637      0.016363
      2.62996      5.61149     13.51829         0.001103     -0.000637      0.016363
      0.00011     -0.00007      9.90737         0.000038     -0.000022      0.000688
     -1.23480      2.13726      9.90609         0.002259     -0.004466     -0.000034
     -2.47009      4.27709      9.92612         0.000534      0.001267     -0.000668
     -3.70376      6.41613      9.93394         0.000590     -0.000127     -0.001929
     -4.93746      8.55469      9.92435        -0.001496      0.001286      0.000078
      2.46949      0.00010      9.92435        -0.001861      0.000652      0.000078
      1.23416      2.13708      9.91567         0.002227      0.004122     -0.000258
     -0.00240      4.27154      9.92834        -0.005217      0.002262     -0.002256
     -1.23812      6.41687      9.95026         0.003099     -0.000586     -0.000421
     -2.46866      8.55518      9.93558         0.000837     -0.000483      0.000737
      4.93838      0.00096      9.93394         0.000405     -0.000447     -0.001929
      3.70472      2.13737      9.93710        -0.000749     -0.001900     -0.000195
      2.47037      4.26945      9.96500         0.000625     -0.001030     -0.003679
      1.22957      6.42001      9.97117         0.001061     -0.000613     -0.003537
     -0.00156      8.55866      9.95026         0.002057     -0.002391     -0.000421
      7.40769      0.00209      9.92612        -0.000830     -0.001095     -0.000668
      6.17333      2.13967      9.93242        -0.000088     -0.000232     -0.000251
      4.93975      4.27794      9.94502         0.003431     -0.001981      0.001140
      3.71241      6.42073      9.96500         0.001204     -0.000027     -0.003679
      2.47421      8.56116      9.92834        -0.004568      0.003387     -0.002256
      9.87847      0.00222      9.90609         0.004998      0.000277     -0.000034
      8.64288      2.13994      9.91724        -0.001880      0.001085      0.000415
      7.40834      4.27876      9.93242         0.000157      0.000192     -0.000251
      6.17602      6.41779      9.93710         0.001271      0.001598     -0.000195
      4.94099      8.55750      9.91567        -0.002456     -0.003990     -0.000258
     -0.00087      1.42484      9.90609        -0.004998     -0.000277     -0.000034
     -1.23551      3.56294      9.91567         0.002456      0.003990     -0.000258
     -2.47053      5.70265      9.93710        -0.001271     -0.001598     -0.000195
     -3.70285      7.84168      9.93242        -0.000157     -0.000192     -0.000251
     -4.93739      9.98050      9.91724         0.001880     -0.001085      0.000415
      2.46992      1.42497      9.92612         0.000830      0.001095     -0.000668
      1.23127      3.55928      9.92834         0.004568     -0.003387     -0.002256
     -0.00692      5.69972      9.96500        -0.001204      0.000027     -0.003679
     -1.23427      7.84251      9.94502        -0.003431      0.001981      0.001140
     -2.46785      9.98077      9.93242         0.000088      0.000232     -0.000251
      4.93922      1.42611      9.93394        -0.000405      0.000447     -0.001929
      3.70704      3.56178      9.95026        -0.002057      0.002391     -0.000421
      2.47591      5.70043      9.97117        -0.001061      0.000613     -0.003537
      1.23511      7.85099      9.96500        -0.000625      0.001030     -0.003679
      0.00077      9.98307      9.93710         0.000749      0.001900     -0.000195
      7.40812      1.42697      9.92435         0.001861     -0.000652      0.000078
      6.17414      3.56526      9.93558        -0.000837      0.000483      0.000737
      4.94361      5.70357      9.95026        -0.003099      0.000586     -0.000421
      3.70788      7.84890      9.92834         0.005217     -0.002262     -0.002256
      2.47132      9.98336      9.91567        -0.002227     -0.004122     -0.000258
      9.87749      1.42713      9.90737        -0.000038      0.000022      0.000688
      8.64294      3.56576      9.92435         0.001496     -0.001286      0.000078
      7.40924      5.70431      9.93394        -0.000590      0.000127     -0.001929
      6.17557      7.84336      9.92612        -0.000534     -0.001267     -0.000668
      4.94029      9.98318      9.90609        -0.002259      0.004466     -0.000034
 -----------------------------------------------------------------------------------
    total drift:                               -0.001805      0.000291      0.007203


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.95: CPU time    1.96
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.35
    ORTHCH:  VPU time  180.77: CPU time   90.51
     LOOP+:  VPU time 4916.72: CPU time 2531.76


----------------------------------------- Iteration   12(   1)  ---------------------------------------


    POTLOK:  VPU time    9.20: CPU time    9.08
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1365.33: CPU time  707.02
 BZINTS: Fermi energy: -3.210644;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  112.51: CPU time   57.03
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1487.62: CPU time  773.65

 eigenvalue-minimisations  :  4064
 total energy-change (2. order) :-0.4717263E+03  (-0.6462621E-06)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9561756 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.16466E-03    rms(broyden)= 0.16463E-03
  rms(prec ) = 0.18337E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34077.55380246
  -1/2 Hartree   DENC   =    -40968.01564412
  -V(xc)+E(xc)   XCENC  =       726.53050719
  PAW double counting   =      4092.66007948    -4131.00527842
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.88964372
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72632353 eV

  energy without entropy =     -471.72632353  energy(sigma->0) =     -471.72632353


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(   2)  ---------------------------------------


    POTLOK:  VPU time    9.06: CPU time    9.06
    SETDIJ:  VPU time    0.33: CPU time    0.34
    EDDAV :  VPU time 1349.45: CPU time  696.61
 BZINTS: Fermi energy: -3.210667;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1358.90: CPU time  706.05

 eigenvalue-minimisations  :  3976
 total energy-change (2. order) : 0.3740934E-06  (-0.2088653E-06)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9561756 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34077.55380246
  -1/2 Hartree   DENC   =    -40968.03273838
  -V(xc)+E(xc)   XCENC  =       726.53098184
  PAW double counting   =      4092.67146282    -4131.01669172
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.87299378
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72632316 eV

  energy without entropy =     -471.72632316  energy(sigma->0) =     -471.72632316


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2205       2 -39.5369       3 -39.5369       4 -58.3161       5 -58.3200
       6 -58.3224       7 -58.3170       8 -58.3173       9 -58.3173      10 -58.3238
      11 -58.3901      12 -58.3539      13 -58.3253      14 -58.3170      15 -58.3269
      16 -58.5454      17 -58.7324      18 -58.3539      19 -58.3224      20 -58.3222
      21 -58.3601      22 -58.5454      23 -58.3901      24 -58.3200      25 -58.3252
      26 -58.3222      27 -58.3269      28 -58.3239      29 -58.3199      30 -58.3237
      31 -58.3268      32 -58.3221      33 -58.3251      34 -58.3223      35 -58.3900
      36 -58.5453      37 -58.3600      38 -58.3221      39 -58.3169      40 -58.3538
      41 -58.7322      42 -58.5453      43 -58.3268      44 -58.3172      45 -58.3252
      46 -58.3538      47 -58.3900      48 -58.3238      49 -58.3159      50 -58.3172
      51 -58.3169      52 -58.3224      53 -58.3199
 
 
 
 E-fermi :  -3.2107     XC(G=0):  -2.3424     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4250      1.00000
      2     -21.6024      1.00000
      3     -21.4802      1.00000
      4     -21.4713      1.00000
      5     -21.4395      1.00000
      6     -21.4389      1.00000
      7     -21.4286      1.00000
      8     -19.7070      1.00000
      9     -19.6517      1.00000
     10     -19.6290      1.00000
     11     -19.6171      1.00000
     12     -19.6122      1.00000
     13     -19.6111      1.00000
     14     -18.7894      1.00000
     15     -18.7537      1.00000
     16     -18.7346      1.00000
     17     -18.7252      1.00000
     18     -18.7171      1.00000
     19     -18.7121      1.00000
     20     -16.6361      1.00000
     21     -16.6087      1.00000
     22     -16.5847      1.00000
     23     -16.5820      1.00000
     24     -16.5540      1.00000
     25     -16.5530      1.00000
     26     -15.6140      1.00000
     27     -15.6014      1.00000
     28     -15.5982      1.00000
     29     -15.5643      1.00000
     30     -15.5623      1.00000
     31     -15.5612      1.00000
     32     -14.2594      1.00000
     33     -14.2507      1.00000
     34     -14.2410      1.00000
     35     -14.2359      1.00000
     36     -14.2223      1.00000
     37     -14.2188      1.00000
     38     -11.9064      1.00000
     39     -11.8797      1.00000
     40     -11.8682      1.00000
     41     -11.8669      1.00000
     42     -11.8456      1.00000
     43     -11.8454      1.00000
     44     -11.7705      1.00000
     45     -11.7690      1.00000
     46     -11.7348      1.00000
     47     -11.7286      1.00000
     48     -11.7259      1.00000
     49     -11.7212      1.00000
     50     -10.6757      1.00000
     51     -10.3886      1.00000
     52     -10.3838      1.00000
     53     -10.3768      1.00000
     54     -10.3684      1.00000
     55     -10.3555      1.00000
     56     -10.3534      1.00000
     57      -9.9041      1.00000
     58      -9.4497      1.00000
     59      -9.4046      1.00000
     60      -9.3614      1.00000
     61      -9.3607      1.00000
     62      -9.3529      1.00000
     63      -9.1421      1.00000
     64      -9.1243      1.00000
     65      -9.1213      1.00000
     66      -9.0859      1.00000
     67      -9.0714      1.00000
     68      -9.0712      1.00000
     69      -9.0704      1.00000
     70      -9.0665      1.00000
     71      -9.0644      1.00000
     72      -9.0404      1.00000
     73      -9.0294      1.00000
     74      -9.0263      1.00000
     75      -8.1300      1.00000
     76      -7.7486      1.00000
     77      -7.4705      1.00000
     78      -7.4665      1.00000
     79      -7.4556      1.00000
     80      -7.4352      1.00000
     81      -7.4245      1.00000
     82      -7.4077      1.00000
     83      -7.3129      1.00000
     84      -7.2704      1.00000
     85      -7.2569      1.00000
     86      -7.2484      1.00000
     87      -7.1494      1.00000
     88      -7.0497      1.00000
     89      -6.4460      1.00000
     90      -6.4164      1.00000
     91      -6.4008      1.00000
     92      -6.3631      1.00000
     93      -6.3526      1.00000
     94      -6.3404      1.00000
     95      -5.9614      1.00000
     96      -5.9585      1.00000
     97      -4.8087      1.00000
     98      -4.5460      1.00000
     99      -4.4820      1.00000
    100      -4.4759      1.00000
    101      -4.3826      1.00000
    102      -4.3825      1.00000
    103      -4.2691      1.00000
    104      -4.1887      1.00000
    105      -3.7405      1.00000
    106      -3.4794      1.00000
    107      -1.8643      0.00000
    108      -1.6716      0.00000
    109      -1.6259      0.00000
    110      -1.5933      0.00000
    111      -1.5773      0.00000
    112      -1.5767      0.00000
    113      -0.4295      0.00000
    114       0.1448      0.00000
    115       0.1892      0.00000
    116       0.2530      0.00000
    117       0.2659      0.00000
    118       0.2686      0.00000
    119       0.4772      0.00000
    120       0.5467      0.00000
    121       1.2487      0.00000
    122       1.2905      0.00000
    123       1.5350      0.00000
    124       1.7695      0.00000
    125       1.7724      0.00000
    126       1.7726      0.00000
    127       1.8092      0.00000
    128       1.8265      0.00000
    129       1.9552      0.00000
    130       1.9660      0.00000
    131       1.9709      0.00000
    132       1.9855      0.00000
    133       1.9930      0.00000
    134       2.0768      0.00000
    135       2.2471      0.00000
    136       2.3479      0.00000
    137       2.6049      0.00000
    138       2.6066      0.00000
    139       2.6323      0.00000
    140       2.7098      0.00000
    141       2.9354      0.00000
    142       3.0569      0.00000
    143       3.0741      0.00000
    144       3.1077      0.00000
    145       3.1079      0.00000
    146       3.1131      0.00000
    147       3.1147      0.00000
    148       3.2758      0.00000
    149       3.4561      0.00000
    150       3.5042      0.00000
    151       3.8262      0.00000
    152       3.9523      0.00000
    153       3.9550      0.00000
    154       3.9579      0.00000
    155       3.9584      0.00000
    156       3.9967      0.00000
    157       4.1943      0.00000
    158       4.2612      0.00000
    159       4.2824      0.00000
    160       4.2833      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3884      1.00000
      2     -21.8295      1.00000
      3     -21.6371      1.00000
      4     -21.6091      1.00000
      5     -21.2736      1.00000
      6     -21.2341      1.00000
      7     -21.0559      1.00000
      8     -20.1670      1.00000
      9     -20.1286      1.00000
     10     -19.6076      1.00000
     11     -19.5966      1.00000
     12     -19.4167      1.00000
     13     -19.0893      1.00000
     14     -19.0589      1.00000
     15     -19.0485      1.00000
     16     -19.0408      1.00000
     17     -18.3602      1.00000
     18     -18.3516      1.00000
     19     -18.0191      1.00000
     20     -17.0697      1.00000
     21     -17.0307      1.00000
     22     -16.9447      1.00000
     23     -16.9392      1.00000
     24     -16.4682      1.00000
     25     -16.4625      1.00000
     26     -15.6133      1.00000
     27     -15.6067      1.00000
     28     -15.2525      1.00000
     29     -15.2439      1.00000
     30     -15.1849      1.00000
     31     -15.0980      1.00000
     32     -15.0711      1.00000
     33     -14.6981      1.00000
     34     -14.6961      1.00000
     35     -13.7267      1.00000
     36     -13.7237      1.00000
     37     -13.2366      1.00000
     38     -12.6152      1.00000
     39     -12.5849      1.00000
     40     -12.4543      1.00000
     41     -12.4501      1.00000
     42     -12.1103      1.00000
     43     -12.1051      1.00000
     44     -11.7164      1.00000
     45     -11.6854      1.00000
     46     -11.2356      1.00000
     47     -11.2269      1.00000
     48     -11.0184      1.00000
     49     -11.0101      1.00000
     50     -10.9262      1.00000
     51     -10.9046      1.00000
     52     -10.6307      1.00000
     53     -10.1563      1.00000
     54     -10.1504      1.00000
     55     -10.0932      1.00000
     56      -9.9984      1.00000
     57      -9.7026      1.00000
     58      -9.6961      1.00000
     59      -9.6552      1.00000
     60      -9.5920      1.00000
     61      -9.5766      1.00000
     62      -9.5588      1.00000
     63      -9.3088      1.00000
     64      -9.3035      1.00000
     65      -9.2734      1.00000
     66      -9.2359      1.00000
     67      -9.1359      1.00000
     68      -9.1175      1.00000
     69      -9.1107      1.00000
     70      -8.9389      1.00000
     71      -8.8716      1.00000
     72      -8.6055      1.00000
     73      -8.5916      1.00000
     74      -8.2367      1.00000
     75      -8.1027      1.00000
     76      -7.9137      1.00000
     77      -7.8638      1.00000
     78      -7.7733      1.00000
     79      -7.7579      1.00000
     80      -7.6919      1.00000
     81      -7.5619      1.00000
     82      -7.3406      1.00000
     83      -7.3240      1.00000
     84      -7.2037      1.00000
     85      -7.1234      1.00000
     86      -7.0320      1.00000
     87      -7.0126      1.00000
     88      -6.7045      1.00000
     89      -6.6776      1.00000
     90      -6.6411      1.00000
     91      -6.5974      1.00000
     92      -6.1184      1.00000
     93      -6.0629      1.00000
     94      -6.0319      1.00000
     95      -6.0110      1.00000
     96      -5.7840      1.00000
     97      -4.9763      1.00000
     98      -4.8327      1.00000
     99      -4.7479      1.00000
    100      -4.6803      1.00000
    101      -4.4705      1.00000
    102      -4.2052      1.00000
    103      -4.1727      1.00000
    104      -4.1290      1.00000
    105      -3.7307      1.00000
    106      -3.4896      1.00000
    107      -1.8726      0.00000
    108      -1.8103      0.00000
    109      -1.5266      0.00000
    110      -1.3789      0.00000
    111      -1.3232      0.00000
    112      -1.2900      0.00000
    113      -0.7220      0.00000
    114      -0.3777      0.00000
    115      -0.2512      0.00000
    116       0.0374      0.00000
    117       0.5550      0.00000
    118       0.6968      0.00000
    119       0.7437      0.00000
    120       1.0465      0.00000
    121       1.0971      0.00000
    122       1.1482      0.00000
    123       1.2253      0.00000
    124       1.3770      0.00000
    125       1.5229      0.00000
    126       1.5799      0.00000
    127       1.7143      0.00000
    128       1.8196      0.00000
    129       1.8560      0.00000
    130       1.8790      0.00000
    131       2.0976      0.00000
    132       2.1843      0.00000
    133       2.2405      0.00000
    134       2.3047      0.00000
    135       2.5108      0.00000
    136       2.5850      0.00000
    137       2.6487      0.00000
    138       2.7764      0.00000
    139       2.7947      0.00000
    140       2.8235      0.00000
    141       2.8702      0.00000
    142       2.8980      0.00000
    143       2.9523      0.00000
    144       3.0760      0.00000
    145       3.1507      0.00000
    146       3.3225      0.00000
    147       3.3932      0.00000
    148       3.4391      0.00000
    149       3.4658      0.00000
    150       3.6155      0.00000
    151       3.6469      0.00000
    152       3.6699      0.00000
    153       3.7134      0.00000
    154       3.9090      0.00000
    155       3.9635      0.00000
    156       4.0165      0.00000
    157       4.0730      0.00000
    158       4.2355      0.00000
    159       4.2484      0.00000
    160       4.2802      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2824      1.00000
      2     -22.0768      1.00000
      3     -21.7155      1.00000
      4     -21.6836      1.00000
      5     -20.9785      1.00000
      6     -20.9378      1.00000
      7     -20.6110      1.00000
      8     -20.5744      1.00000
      9     -20.5680      1.00000
     10     -20.0320      1.00000
     11     -19.5025      1.00000
     12     -19.4908      1.00000
     13     -19.3059      1.00000
     14     -19.3008      1.00000
     15     -18.4475      1.00000
     16     -18.4107      1.00000
     17     -17.9222      1.00000
     18     -17.9123      1.00000
     19     -17.7617      1.00000
     20     -17.7258      1.00000
     21     -17.4361      1.00000
     22     -17.4279      1.00000
     23     -17.3415      1.00000
     24     -16.4626      1.00000
     25     -16.4611      1.00000
     26     -15.9665      1.00000
     27     -15.4134      1.00000
     28     -15.4085      1.00000
     29     -15.0957      1.00000
     30     -15.0930      1.00000
     31     -14.8556      1.00000
     32     -14.8483      1.00000
     33     -14.2909      1.00000
     34     -14.2579      1.00000
     35     -13.4375      1.00000
     36     -13.4049      1.00000
     37     -13.1780      1.00000
     38     -13.1740      1.00000
     39     -12.9811      1.00000
     40     -12.9762      1.00000
     41     -12.6140      1.00000
     42     -12.6097      1.00000
     43     -12.1989      1.00000
     44     -11.5758      1.00000
     45     -11.5419      1.00000
     46     -11.3100      1.00000
     47     -11.2870      1.00000
     48     -11.1434      1.00000
     49     -10.6768      1.00000
     50     -10.6613      1.00000
     51     -10.5531      1.00000
     52     -10.3252      1.00000
     53     -10.3174      1.00000
     54     -10.1683      1.00000
     55     -10.1165      1.00000
     56     -10.1126      1.00000
     57      -9.7975      1.00000
     58      -9.7671      1.00000
     59      -9.7512      1.00000
     60      -9.6997      1.00000
     61      -9.6985      1.00000
     62      -9.6610      1.00000
     63      -9.3567      1.00000
     64      -9.3507      1.00000
     65      -9.3148      1.00000
     66      -9.0411      1.00000
     67      -8.9639      1.00000
     68      -8.9495      1.00000
     69      -8.7989      1.00000
     70      -8.5945      1.00000
     71      -8.5574      1.00000
     72      -8.3981      1.00000
     73      -8.3646      1.00000
     74      -8.3255      1.00000
     75      -8.3080      1.00000
     76      -8.2602      1.00000
     77      -8.2578      1.00000
     78      -8.2362      1.00000
     79      -7.9044      1.00000
     80      -7.6516      1.00000
     81      -7.5507      1.00000
     82      -7.3881      1.00000
     83      -7.3508      1.00000
     84      -7.2330      1.00000
     85      -7.0957      1.00000
     86      -7.0385      1.00000
     87      -6.9335      1.00000
     88      -6.8480      1.00000
     89      -6.6131      1.00000
     90      -6.5611      1.00000
     91      -6.2704      1.00000
     92      -6.0444      1.00000
     93      -5.9519      1.00000
     94      -5.6635      1.00000
     95      -5.6224      1.00000
     96      -5.4643      1.00000
     97      -5.3211      1.00000
     98      -5.2793      1.00000
     99      -5.2149      1.00000
    100      -5.1937      1.00000
    101      -4.5103      1.00000
    102      -4.2095      1.00000
    103      -4.0607      1.00000
    104      -3.9901      1.00000
    105      -3.6952      1.00000
    106      -3.4998      1.00000
    107      -1.9485      0.00000
    108      -1.8978      0.00000
    109      -1.3416      0.00000
    110      -1.0867      0.00000
    111      -1.0594      0.00000
    112      -0.8024      0.00000
    113      -0.6788      0.00000
    114      -0.6490      0.00000
    115      -0.6096      0.00000
    116      -0.1082      0.00000
    117       0.2127      0.00000
    118       0.3287      0.00000
    119       0.6934      0.00000
    120       0.8877      0.00000
    121       1.1255      0.00000
    122       1.1963      0.00000
    123       1.3258      0.00000
    124       1.4195      0.00000
    125       1.5513      0.00000
    126       1.5730      0.00000
    127       1.6764      0.00000
    128       1.8095      0.00000
    129       1.8827      0.00000
    130       2.0535      0.00000
    131       2.1314      0.00000
    132       2.3304      0.00000
    133       2.3623      0.00000
    134       2.3930      0.00000
    135       2.5437      0.00000
    136       2.6295      0.00000
    137       2.7271      0.00000
    138       2.7687      0.00000
    139       2.8356      0.00000
    140       2.8801      0.00000
    141       3.0448      0.00000
    142       3.0541      0.00000
    143       3.1610      0.00000
    144       3.2631      0.00000
    145       3.3586      0.00000
    146       3.4135      0.00000
    147       3.4325      0.00000
    148       3.5630      0.00000
    149       3.5807      0.00000
    150       3.5970      0.00000
    151       3.6569      0.00000
    152       3.6752      0.00000
    153       3.7794      0.00000
    154       3.8013      0.00000
    155       3.8167      0.00000
    156       3.8985      0.00000
    157       3.9182      0.00000
    158       4.0013      0.00000
    159       4.2116      0.00000
    160       4.2292      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3164      1.00000
      2     -21.9618      1.00000
      3     -21.8924      1.00000
      4     -21.3799      1.00000
      5     -21.3504      1.00000
      6     -20.8390      1.00000
      7     -20.7736      1.00000
      8     -20.6235      1.00000
      9     -20.0766      1.00000
     10     -20.0708      1.00000
     11     -19.7163      1.00000
     12     -19.6916      1.00000
     13     -18.9959      1.00000
     14     -18.9899      1.00000
     15     -18.6396      1.00000
     16     -18.6236      1.00000
     17     -18.4624      1.00000
     18     -17.6761      1.00000
     19     -17.6252      1.00000
     20     -17.6226      1.00000
     21     -17.5807      1.00000
     22     -17.1262      1.00000
     23     -17.1047      1.00000
     24     -16.9611      1.00000
     25     -16.0011      1.00000
     26     -15.9286      1.00000
     27     -15.5856      1.00000
     28     -15.5852      1.00000
     29     -15.2875      1.00000
     30     -14.8640      1.00000
     31     -14.8366      1.00000
     32     -14.5801      1.00000
     33     -14.5382      1.00000
     34     -14.1678      1.00000
     35     -14.1542      1.00000
     36     -13.1484      1.00000
     37     -13.1007      1.00000
     38     -13.0309      1.00000
     39     -13.0209      1.00000
     40     -12.7103      1.00000
     41     -12.7061      1.00000
     42     -12.3405      1.00000
     43     -12.3092      1.00000
     44     -11.6358      1.00000
     45     -11.6220      1.00000
     46     -11.5715      1.00000
     47     -10.9490      1.00000
     48     -10.9158      1.00000
     49     -10.6335      1.00000
     50     -10.6261      1.00000
     51     -10.5477      1.00000
     52     -10.4988      1.00000
     53     -10.4986      1.00000
     54     -10.4409      1.00000
     55     -10.3625      1.00000
     56     -10.0987      1.00000
     57      -9.9024      1.00000
     58      -9.6109      1.00000
     59      -9.5586      1.00000
     60      -9.4521      1.00000
     61      -9.4116      1.00000
     62      -9.4053      1.00000
     63      -9.3786      1.00000
     64      -9.3785      1.00000
     65      -9.2865      1.00000
     66      -9.1687      1.00000
     67      -9.1432      1.00000
     68      -9.1149      1.00000
     69      -8.8643      1.00000
     70      -8.8567      1.00000
     71      -8.8150      1.00000
     72      -8.5965      1.00000
     73      -8.4797      1.00000
     74      -8.1989      1.00000
     75      -8.1633      1.00000
     76      -8.0085      1.00000
     77      -7.9649      1.00000
     78      -7.8529      1.00000
     79      -7.8427      1.00000
     80      -7.7059      1.00000
     81      -7.6989      1.00000
     82      -7.6214      1.00000
     83      -7.4494      1.00000
     84      -7.2999      1.00000
     85      -7.2542      1.00000
     86      -6.9071      1.00000
     87      -6.8932      1.00000
     88      -6.5885      1.00000
     89      -6.5512      1.00000
     90      -6.4092      1.00000
     91      -6.2529      1.00000
     92      -6.2323      1.00000
     93      -6.2056      1.00000
     94      -6.0238      1.00000
     95      -5.5511      1.00000
     96      -5.4899      1.00000
     97      -5.3516      1.00000
     98      -5.2207      1.00000
     99      -4.9794      1.00000
    100      -4.7337      1.00000
    101      -4.6788      1.00000
    102      -4.3887      1.00000
    103      -4.2049      1.00000
    104      -3.8727      1.00000
    105      -3.5468      1.00000
    106      -3.5120      1.00000
    107      -2.2579      0.00000
    108      -1.4594      0.00000
    109      -1.3723      0.00000
    110      -1.2437      0.00000
    111      -1.1002      0.00000
    112      -0.9471      0.00000
    113      -0.8657      0.00000
    114      -0.8053      0.00000
    115      -0.1391      0.00000
    116       0.1099      0.00000
    117       0.2392      0.00000
    118       0.3766      0.00000
    119       0.6507      0.00000
    120       0.8336      0.00000
    121       0.9339      0.00000
    122       1.0632      0.00000
    123       1.2317      0.00000
    124       1.4487      0.00000
    125       1.5475      0.00000
    126       1.7629      0.00000
    127       1.7909      0.00000
    128       1.8768      0.00000
    129       1.9659      0.00000
    130       2.0475      0.00000
    131       2.1727      0.00000
    132       2.1969      0.00000
    133       2.4086      0.00000
    134       2.4702      0.00000
    135       2.5374      0.00000
    136       2.6011      0.00000
    137       2.6385      0.00000
    138       2.6933      0.00000
    139       2.7742      0.00000
    140       2.8332      0.00000
    141       2.9463      0.00000
    142       3.0794      0.00000
    143       3.1988      0.00000
    144       3.2181      0.00000
    145       3.2654      0.00000
    146       3.3255      0.00000
    147       3.3290      0.00000
    148       3.4679      0.00000
    149       3.4953      0.00000
    150       3.6958      0.00000
    151       3.7102      0.00000
    152       3.7307      0.00000
    153       3.8553      0.00000
    154       3.9175      0.00000
    155       3.9421      0.00000
    156       3.9752      0.00000
    157       4.0184      0.00000
    158       4.0313      0.00000
    159       4.0476      0.00000
    160       4.0698      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2095      1.00000
      2     -22.1163      1.00000
      3     -21.9556      1.00000
      4     -21.4033      1.00000
      5     -21.0490      1.00000
      6     -21.0129      1.00000
      7     -20.4999      1.00000
      8     -20.4604      1.00000
      9     -20.2943      1.00000
     10     -20.2749      1.00000
     11     -19.9567      1.00000
     12     -19.8909      1.00000
     13     -18.8819      1.00000
     14     -18.8130      1.00000
     15     -18.3529      1.00000
     16     -18.3065      1.00000
     17     -18.1529      1.00000
     18     -18.1354      1.00000
     19     -17.8269      1.00000
     20     -17.7891      1.00000
     21     -17.2525      1.00000
     22     -17.2410      1.00000
     23     -17.1658      1.00000
     24     -17.1324      1.00000
     25     -16.1094      1.00000
     26     -15.8848      1.00000
     27     -15.8696      1.00000
     28     -15.8342      1.00000
     29     -15.2376      1.00000
     30     -14.5549      1.00000
     31     -14.5270      1.00000
     32     -14.2813      1.00000
     33     -13.9647      1.00000
     34     -13.9570      1.00000
     35     -13.8213      1.00000
     36     -13.8051      1.00000
     37     -13.6152      1.00000
     38     -13.5711      1.00000
     39     -13.3690      1.00000
     40     -12.6340      1.00000
     41     -12.1817      1.00000
     42     -12.1335      1.00000
     43     -12.0715      1.00000
     44     -12.0191      1.00000
     45     -11.6712      1.00000
     46     -11.6575      1.00000
     47     -11.1395      1.00000
     48     -11.1189      1.00000
     49     -10.7944      1.00000
     50     -10.7306      1.00000
     51     -10.5290      1.00000
     52     -10.2109      1.00000
     53     -10.2054      1.00000
     54     -10.1635      1.00000
     55     -10.0188      1.00000
     56     -10.0038      1.00000
     57      -9.9906      1.00000
     58      -9.8022      1.00000
     59      -9.7986      1.00000
     60      -9.7634      1.00000
     61      -9.7587      1.00000
     62      -9.4541      1.00000
     63      -9.4169      1.00000
     64      -9.0803      1.00000
     65      -9.0741      1.00000
     66      -9.0413      1.00000
     67      -8.9564      1.00000
     68      -8.8766      1.00000
     69      -8.7136      1.00000
     70      -8.7012      1.00000
     71      -8.5659      1.00000
     72      -8.5430      1.00000
     73      -8.4993      1.00000
     74      -8.4642      1.00000
     75      -8.4535      1.00000
     76      -8.2601      1.00000
     77      -8.1253      1.00000
     78      -8.0431      1.00000
     79      -7.9170      1.00000
     80      -7.8633      1.00000
     81      -7.6148      1.00000
     82      -7.5491      1.00000
     83      -7.4896      1.00000
     84      -7.2694      1.00000
     85      -6.9977      1.00000
     86      -6.9252      1.00000
     87      -6.8839      1.00000
     88      -6.5335      1.00000
     89      -6.4879      1.00000
     90      -6.4612      1.00000
     91      -6.4098      1.00000
     92      -5.9846      1.00000
     93      -5.8979      1.00000
     94      -5.7853      1.00000
     95      -5.7593      1.00000
     96      -5.4332      1.00000
     97      -5.3300      1.00000
     98      -5.2310      1.00000
     99      -5.2187      1.00000
    100      -5.1882      1.00000
    101      -4.6930      1.00000
    102      -4.4229      1.00000
    103      -4.2114      1.00000
    104      -3.8359      1.00000
    105      -3.5312      1.00000
    106      -3.2749      1.00000
    107      -2.5327      0.00000
    108      -1.4607      0.00000
    109      -1.2682      0.00000
    110      -1.2045      0.00000
    111      -1.1742      0.00000
    112      -0.7217      0.00000
    113      -0.5058      0.00000
    114      -0.4138      0.00000
    115      -0.3413      0.00000
    116      -0.1477      0.00000
    117      -0.0055      0.00000
    118       0.1940      0.00000
    119       0.5604      0.00000
    120       0.6100      0.00000
    121       0.7954      0.00000
    122       0.9067      0.00000
    123       1.1318      0.00000
    124       1.4917      0.00000
    125       1.6356      0.00000
    126       1.8499      0.00000
    127       1.9257      0.00000
    128       2.1022      0.00000
    129       2.1136      0.00000
    130       2.1610      0.00000
    131       2.1927      0.00000
    132       2.2765      0.00000
    133       2.3448      0.00000
    134       2.4759      0.00000
    135       2.5838      0.00000
    136       2.6556      0.00000
    137       2.8506      0.00000
    138       2.8675      0.00000
    139       2.8904      0.00000
    140       3.0117      0.00000
    141       3.0228      0.00000
    142       3.1377      0.00000
    143       3.1901      0.00000
    144       3.2305      0.00000
    145       3.2721      0.00000
    146       3.2814      0.00000
    147       3.2974      0.00000
    148       3.3437      0.00000
    149       3.4220      0.00000
    150       3.4492      0.00000
    151       3.5549      0.00000
    152       3.6251      0.00000
    153       3.7177      0.00000
    154       3.7403      0.00000
    155       3.7699      0.00000
    156       3.8930      0.00000
    157       3.9397      0.00000
    158       4.0038      0.00000
    159       4.1266      0.00000
    160       4.2206      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3162      1.00000
      2     -21.9633      1.00000
      3     -21.8910      1.00000
      4     -21.3837      1.00000
      5     -21.3472      1.00000
      6     -20.8385      1.00000
      7     -20.7720      1.00000
      8     -20.6240      1.00000
      9     -20.0890      1.00000
     10     -20.0601      1.00000
     11     -19.7177      1.00000
     12     -19.6888      1.00000
     13     -19.0095      1.00000
     14     -18.9782      1.00000
     15     -18.6497      1.00000
     16     -18.6168      1.00000
     17     -18.4599      1.00000
     18     -17.6604      1.00000
     19     -17.6461      1.00000
     20     -17.6102      1.00000
     21     -17.5774      1.00000
     22     -17.1375      1.00000
     23     -17.0973      1.00000
     24     -16.9667      1.00000
     25     -16.0092      1.00000
     26     -15.9224      1.00000
     27     -15.5985      1.00000
     28     -15.5749      1.00000
     29     -15.2797      1.00000
     30     -14.8769      1.00000
     31     -14.8297      1.00000
     32     -14.5747      1.00000
     33     -14.5368      1.00000
     34     -14.1645      1.00000
     35     -14.1602      1.00000
     36     -13.1630      1.00000
     37     -13.0952      1.00000
     38     -13.0230      1.00000
     39     -13.0186      1.00000
     40     -12.7181      1.00000
     41     -12.6947      1.00000
     42     -12.3406      1.00000
     43     -12.3134      1.00000
     44     -11.6330      1.00000
     45     -11.6234      1.00000
     46     -11.5699      1.00000
     47     -10.9413      1.00000
     48     -10.9232      1.00000
     49     -10.6698      1.00000
     50     -10.5902      1.00000
     51     -10.5735      1.00000
     52     -10.5020      1.00000
     53     -10.4890      1.00000
     54     -10.4399      1.00000
     55     -10.3556      1.00000
     56     -10.1031      1.00000
     57      -9.8966      1.00000
     58      -9.6083      1.00000
     59      -9.5509      1.00000
     60      -9.4541      1.00000
     61      -9.4201      1.00000
     62      -9.4090      1.00000
     63      -9.3790      1.00000
     64      -9.3721      1.00000
     65      -9.2668      1.00000
     66      -9.1668      1.00000
     67      -9.1428      1.00000
     68      -9.1163      1.00000
     69      -8.8672      1.00000
     70      -8.8610      1.00000
     71      -8.8020      1.00000
     72      -8.5957      1.00000
     73      -8.5265      1.00000
     74      -8.1944      1.00000
     75      -8.1714      1.00000
     76      -8.0757      1.00000
     77      -7.8582      1.00000
     78      -7.8373      1.00000
     79      -7.8241      1.00000
     80      -7.7117      1.00000
     81      -7.6971      1.00000
     82      -7.5968      1.00000
     83      -7.5309      1.00000
     84      -7.3501      1.00000
     85      -7.1682      1.00000
     86      -6.9070      1.00000
     87      -6.8970      1.00000
     88      -6.5928      1.00000
     89      -6.5509      1.00000
     90      -6.4070      1.00000
     91      -6.3027      1.00000
     92      -6.2478      1.00000
     93      -6.2030      1.00000
     94      -6.0039      1.00000
     95      -5.5327      1.00000
     96      -5.4650      1.00000
     97      -5.3146      1.00000
     98      -5.2096      1.00000
     99      -5.0483      1.00000
    100      -4.7250      1.00000
    101      -4.6722      1.00000
    102      -4.4254      1.00000
    103      -4.1965      1.00000
    104      -3.8447      1.00000
    105      -3.6362      1.00000
    106      -3.4176      1.00000
    107      -2.2941      0.00000
    108      -1.5118      0.00000
    109      -1.2718      0.00000
    110      -1.2641      0.00000
    111      -1.0364      0.00000
    112      -0.9788      0.00000
    113      -0.8699      0.00000
    114      -0.8017      0.00000
    115      -0.2620      0.00000
    116       0.2017      0.00000
    117       0.2369      0.00000
    118       0.3594      0.00000
    119       0.6899      0.00000
    120       0.8918      0.00000
    121       0.9218      0.00000
    122       1.0401      0.00000
    123       1.1669      0.00000
    124       1.5088      0.00000
    125       1.5570      0.00000
    126       1.7093      0.00000
    127       1.7764      0.00000
    128       1.8333      0.00000
    129       1.9662      0.00000
    130       1.9831      0.00000
    131       2.1888      0.00000
    132       2.2584      0.00000
    133       2.4121      0.00000
    134       2.4754      0.00000
    135       2.5392      0.00000
    136       2.5968      0.00000
    137       2.6149      0.00000
    138       2.6967      0.00000
    139       2.7547      0.00000
    140       2.8628      0.00000
    141       3.0337      0.00000
    142       3.0779      0.00000
    143       3.1910      0.00000
    144       3.2500      0.00000
    145       3.2685      0.00000
    146       3.3009      0.00000
    147       3.3501      0.00000
    148       3.4524      0.00000
    149       3.5176      0.00000
    150       3.6898      0.00000
    151       3.7131      0.00000
    152       3.7535      0.00000
    153       3.8309      0.00000
    154       3.8930      0.00000
    155       3.9289      0.00000
    156       3.9758      0.00000
    157       4.0051      0.00000
    158       4.0447      0.00000
    159       4.0492      0.00000
    160       4.0950      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3883      1.00000
      2     -21.8296      1.00000
      3     -21.6404      1.00000
      4     -21.6053      1.00000
      5     -21.2778      1.00000
      6     -21.2307      1.00000
      7     -21.0552      1.00000
      8     -20.1706      1.00000
      9     -20.1243      1.00000
     10     -19.6165      1.00000
     11     -19.5905      1.00000
     12     -19.4145      1.00000
     13     -19.0940      1.00000
     14     -19.0554      1.00000
     15     -19.0512      1.00000
     16     -19.0380      1.00000
     17     -18.3665      1.00000
     18     -18.3469      1.00000
     19     -18.0156      1.00000
     20     -17.0719      1.00000
     21     -17.0227      1.00000
     22     -16.9498      1.00000
     23     -16.9362      1.00000
     24     -16.4761      1.00000
     25     -16.4638      1.00000
     26     -15.6094      1.00000
     27     -15.6089      1.00000
     28     -15.2492      1.00000
     29     -15.2373      1.00000
     30     -15.1907      1.00000
     31     -15.1008      1.00000
     32     -15.0680      1.00000
     33     -14.6986      1.00000
     34     -14.6978      1.00000
     35     -13.7255      1.00000
     36     -13.7253      1.00000
     37     -13.2345      1.00000
     38     -12.6246      1.00000
     39     -12.5805      1.00000
     40     -12.4538      1.00000
     41     -12.4485      1.00000
     42     -12.1055      1.00000
     43     -12.1009      1.00000
     44     -11.7228      1.00000
     45     -11.6840      1.00000
     46     -11.2467      1.00000
     47     -11.2262      1.00000
     48     -11.0168      1.00000
     49     -11.0052      1.00000
     50     -10.9282      1.00000
     51     -10.8995      1.00000
     52     -10.6367      1.00000
     53     -10.1723      1.00000
     54     -10.1492      1.00000
     55     -10.0844      1.00000
     56      -9.9917      1.00000
     57      -9.6961      1.00000
     58      -9.6894      1.00000
     59      -9.6695      1.00000
     60      -9.5928      1.00000
     61      -9.5690      1.00000
     62      -9.5532      1.00000
     63      -9.3122      1.00000
     64      -9.2994      1.00000
     65      -9.2827      1.00000
     66      -9.2454      1.00000
     67      -9.1214      1.00000
     68      -9.1122      1.00000
     69      -9.1103      1.00000
     70      -8.9386      1.00000
     71      -8.8777      1.00000
     72      -8.6069      1.00000
     73      -8.5880      1.00000
     74      -8.2714      1.00000
     75      -8.1013      1.00000
     76      -7.8701      1.00000
     77      -7.8429      1.00000
     78      -7.7909      1.00000
     79      -7.7648      1.00000
     80      -7.7558      1.00000
     81      -7.4488      1.00000
     82      -7.3349      1.00000
     83      -7.3236      1.00000
     84      -7.2664      1.00000
     85      -7.1620      1.00000
     86      -7.0177      1.00000
     87      -6.9860      1.00000
     88      -6.7181      1.00000
     89      -6.6903      1.00000
     90      -6.6313      1.00000
     91      -6.5902      1.00000
     92      -6.1179      1.00000
     93      -6.0607      1.00000
     94      -6.0449      1.00000
     95      -6.0306      1.00000
     96      -5.7475      1.00000
     97      -4.9763      1.00000
     98      -4.8408      1.00000
     99      -4.7093      1.00000
    100      -4.6736      1.00000
    101      -4.4852      1.00000
    102      -4.3544      1.00000
    103      -4.1134      1.00000
    104      -4.0569      1.00000
    105      -3.7563      1.00000
    106      -3.4671      1.00000
    107      -1.9527      0.00000
    108      -1.7728      0.00000
    109      -1.4816      0.00000
    110      -1.3576      0.00000
    111      -1.3375      0.00000
    112      -1.2943      0.00000
    113      -0.6796      0.00000
    114      -0.4733      0.00000
    115      -0.2380      0.00000
    116       0.0516      0.00000
    117       0.5867      0.00000
    118       0.6896      0.00000
    119       0.7679      0.00000
    120       1.0214      0.00000
    121       1.0941      0.00000
    122       1.1757      0.00000
    123       1.2501      0.00000
    124       1.3336      0.00000
    125       1.4314      0.00000
    126       1.5965      0.00000
    127       1.7684      0.00000
    128       1.8399      0.00000
    129       1.8581      0.00000
    130       1.8852      0.00000
    131       2.0498      0.00000
    132       2.2161      0.00000
    133       2.2292      0.00000
    134       2.2829      0.00000
    135       2.4788      0.00000
    136       2.6155      0.00000
    137       2.6490      0.00000
    138       2.7479      0.00000
    139       2.7944      0.00000
    140       2.8323      0.00000
    141       2.8446      0.00000
    142       2.8822      0.00000
    143       2.9578      0.00000
    144       3.0798      0.00000
    145       3.3203      0.00000
    146       3.3581      0.00000
    147       3.4121      0.00000
    148       3.4244      0.00000
    149       3.4244      0.00000
    150       3.5976      0.00000
    151       3.6559      0.00000
    152       3.6728      0.00000
    153       3.7275      0.00000
    154       3.8927      0.00000
    155       3.9269      0.00000
    156       3.9591      0.00000
    157       4.1138      0.00000
    158       4.2076      0.00000
    159       4.2518      0.00000
    160       4.2825      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2086      1.00000
      2     -22.1176      1.00000
      3     -21.9554      1.00000
      4     -21.4037      1.00000
      5     -21.0451      1.00000
      6     -21.0165      1.00000
      7     -20.4952      1.00000
      8     -20.4650      1.00000
      9     -20.2849      1.00000
     10     -20.2830      1.00000
     11     -19.9562      1.00000
     12     -19.8929      1.00000
     13     -18.8834      1.00000
     14     -18.8156      1.00000
     15     -18.3367      1.00000
     16     -18.3177      1.00000
     17     -18.1487      1.00000
     18     -18.1412      1.00000
     19     -17.8150      1.00000
     20     -17.7969      1.00000
     21     -17.2587      1.00000
     22     -17.2389      1.00000
     23     -17.1592      1.00000
     24     -17.1361      1.00000
     25     -16.1154      1.00000
     26     -15.8802      1.00000
     27     -15.8690      1.00000
     28     -15.8418      1.00000
     29     -15.2305      1.00000
     30     -14.5517      1.00000
     31     -14.5331      1.00000
     32     -14.2756      1.00000
     33     -13.9744      1.00000
     34     -13.9507      1.00000
     35     -13.8252      1.00000
     36     -13.8029      1.00000
     37     -13.6043      1.00000
     38     -13.5789      1.00000
     39     -13.3688      1.00000
     40     -12.6378      1.00000
     41     -12.1697      1.00000
     42     -12.1432      1.00000
     43     -12.0681      1.00000
     44     -12.0212      1.00000
     45     -11.6644      1.00000
     46     -11.6595      1.00000
     47     -11.1383      1.00000
     48     -11.1272      1.00000
     49     -10.7919      1.00000
     50     -10.7356      1.00000
     51     -10.5359      1.00000
     52     -10.2077      1.00000
     53     -10.2014      1.00000
     54     -10.1691      1.00000
     55     -10.0224      1.00000
     56      -9.9932      1.00000
     57      -9.9898      1.00000
     58      -9.8048      1.00000
     59      -9.7953      1.00000
     60      -9.7657      1.00000
     61      -9.7582      1.00000
     62      -9.4566      1.00000
     63      -9.4170      1.00000
     64      -9.0847      1.00000
     65      -9.0458      1.00000
     66      -9.0251      1.00000
     67      -8.9713      1.00000
     68      -8.8973      1.00000
     69      -8.7078      1.00000
     70      -8.6986      1.00000
     71      -8.5625      1.00000
     72      -8.5514      1.00000
     73      -8.4779      1.00000
     74      -8.4601      1.00000
     75      -8.4568      1.00000
     76      -8.3084      1.00000
     77      -8.0946      1.00000
     78      -8.0884      1.00000
     79      -7.9268      1.00000
     80      -7.8315      1.00000
     81      -7.6009      1.00000
     82      -7.5394      1.00000
     83      -7.4425      1.00000
     84      -7.3168      1.00000
     85      -6.9942      1.00000
     86      -6.9196      1.00000
     87      -6.8825      1.00000
     88      -6.5303      1.00000
     89      -6.5159      1.00000
     90      -6.4827      1.00000
     91      -6.4210      1.00000
     92      -5.9271      1.00000
     93      -5.9051      1.00000
     94      -5.7889      1.00000
     95      -5.7752      1.00000
     96      -5.3698      1.00000
     97      -5.3636      1.00000
     98      -5.2201      1.00000
     99      -5.2160      1.00000
    100      -5.1995      1.00000
    101      -4.7220      1.00000
    102      -4.4440      1.00000
    103      -4.1926      1.00000
    104      -3.8222      1.00000
    105      -3.5676      1.00000
    106      -3.2228      1.00000
    107      -2.5638      0.00000
    108      -1.4658      0.00000
    109      -1.2680      0.00000
    110      -1.1870      0.00000
    111      -1.1857      0.00000
    112      -0.6467      0.00000
    113      -0.5534      0.00000
    114      -0.4170      0.00000
    115      -0.3501      0.00000
    116      -0.0791      0.00000
    117      -0.0651      0.00000
    118       0.1259      0.00000
    119       0.5903      0.00000
    120       0.6247      0.00000
    121       0.8549      0.00000
    122       0.9843      0.00000
    123       1.0035      0.00000
    124       1.4943      0.00000
    125       1.6842      0.00000
    126       1.7605      0.00000
    127       1.8589      0.00000
    128       2.1102      0.00000
    129       2.1565      0.00000
    130       2.1942      0.00000
    131       2.2065      0.00000
    132       2.2560      0.00000
    133       2.3575      0.00000
    134       2.4922      0.00000
    135       2.5225      0.00000
    136       2.6623      0.00000
    137       2.8497      0.00000
    138       2.8567      0.00000
    139       2.9514      0.00000
    140       2.9999      0.00000
    141       3.0370      0.00000
    142       3.1330      0.00000
    143       3.2037      0.00000
    144       3.2410      0.00000
    145       3.2472      0.00000
    146       3.2776      0.00000
    147       3.3006      0.00000
    148       3.3527      0.00000
    149       3.4250      0.00000
    150       3.5492      0.00000
    151       3.5652      0.00000
    152       3.6446      0.00000
    153       3.6658      0.00000
    154       3.7137      0.00000
    155       3.7367      0.00000
    156       3.8942      0.00000
    157       3.9600      0.00000
    158       4.0350      0.00000
    159       4.0714      0.00000
    160       4.1816      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2820      1.00000
      2     -22.0773      1.00000
      3     -21.7192      1.00000
      4     -21.6799      1.00000
      5     -20.9818      1.00000
      6     -20.9340      1.00000
      7     -20.6104      1.00000
      8     -20.5778      1.00000
      9     -20.5645      1.00000
     10     -20.0310      1.00000
     11     -19.5130      1.00000
     12     -19.4831      1.00000
     13     -19.3110      1.00000
     14     -19.2981      1.00000
     15     -18.4488      1.00000
     16     -18.4055      1.00000
     17     -17.9274      1.00000
     18     -17.9071      1.00000
     19     -17.7652      1.00000
     20     -17.7201      1.00000
     21     -17.4416      1.00000
     22     -17.4233      1.00000
     23     -17.3371      1.00000
     24     -16.4721      1.00000
     25     -16.4616      1.00000
     26     -15.9693      1.00000
     27     -15.4111      1.00000
     28     -15.4102      1.00000
     29     -15.0963      1.00000
     30     -15.0931      1.00000
     31     -14.8526      1.00000
     32     -14.8406      1.00000
     33     -14.2975      1.00000
     34     -14.2538      1.00000
     35     -13.4442      1.00000
     36     -13.4004      1.00000
     37     -13.1755      1.00000
     38     -13.1744      1.00000
     39     -12.9843      1.00000
     40     -12.9755      1.00000
     41     -12.6111      1.00000
     42     -12.6093      1.00000
     43     -12.1961      1.00000
     44     -11.5807      1.00000
     45     -11.5393      1.00000
     46     -11.3143      1.00000
     47     -11.2839      1.00000
     48     -11.1415      1.00000
     49     -10.6939      1.00000
     50     -10.6648      1.00000
     51     -10.5472      1.00000
     52     -10.3215      1.00000
     53     -10.3138      1.00000
     54     -10.1747      1.00000
     55     -10.1232      1.00000
     56     -10.1094      1.00000
     57      -9.8109      1.00000
     58      -9.7520      1.00000
     59      -9.7516      1.00000
     60      -9.7016      1.00000
     61      -9.6978      1.00000
     62      -9.6458      1.00000
     63      -9.3524      1.00000
     64      -9.3508      1.00000
     65      -9.3203      1.00000
     66      -9.0277      1.00000
     67      -8.9613      1.00000
     68      -8.9574      1.00000
     69      -8.7745      1.00000
     70      -8.5941      1.00000
     71      -8.5883      1.00000
     72      -8.4230      1.00000
     73      -8.3489      1.00000
     74      -8.3236      1.00000
     75      -8.3021      1.00000
     76      -8.2669      1.00000
     77      -8.2558      1.00000
     78      -8.2414      1.00000
     79      -7.9208      1.00000
     80      -7.7339      1.00000
     81      -7.3797      1.00000
     82      -7.3505      1.00000
     83      -7.3257      1.00000
     84      -7.2174      1.00000
     85      -7.1606      1.00000
     86      -7.0648      1.00000
     87      -6.9610      1.00000
     88      -6.9048      1.00000
     89      -6.6164      1.00000
     90      -6.5567      1.00000
     91      -6.2741      1.00000
     92      -5.9965      1.00000
     93      -5.9592      1.00000
     94      -5.6758      1.00000
     95      -5.6494      1.00000
     96      -5.3877      1.00000
     97      -5.3150      1.00000
     98      -5.2942      1.00000
     99      -5.2123      1.00000
    100      -5.2009      1.00000
    101      -4.5134      1.00000
    102      -4.3410      1.00000
    103      -3.9983      1.00000
    104      -3.8873      1.00000
    105      -3.7944      1.00000
    106      -3.4449      1.00000
    107      -2.0364      0.00000
    108      -1.8649      0.00000
    109      -1.2200      0.00000
    110      -1.1849      0.00000
    111      -1.0380      0.00000
    112      -0.7745      0.00000
    113      -0.6789      0.00000
    114      -0.6623      0.00000
    115      -0.6116      0.00000
    116      -0.1016      0.00000
    117       0.2201      0.00000
    118       0.2392      0.00000
    119       0.7687      0.00000
    120       0.9828      0.00000
    121       1.0725      0.00000
    122       1.2389      0.00000
    123       1.2493      0.00000
    124       1.3414      0.00000
    125       1.5745      0.00000
    126       1.5818      0.00000
    127       1.6980      0.00000
    128       1.8008      0.00000
    129       1.9438      0.00000
    130       1.9571      0.00000
    131       2.0947      0.00000
    132       2.3018      0.00000
    133       2.3417      0.00000
    134       2.4136      0.00000
    135       2.5417      0.00000
    136       2.6271      0.00000
    137       2.7776      0.00000
    138       2.8385      0.00000
    139       2.8407      0.00000
    140       2.8660      0.00000
    141       3.0439      0.00000
    142       3.0979      0.00000
    143       3.1484      0.00000
    144       3.2205      0.00000
    145       3.3749      0.00000
    146       3.4151      0.00000
    147       3.5000      0.00000
    148       3.5433      0.00000
    149       3.5879      0.00000
    150       3.6067      0.00000
    151       3.6466      0.00000
    152       3.7318      0.00000
    153       3.7430      0.00000
    154       3.7804      0.00000
    155       3.8268      0.00000
    156       3.8811      0.00000
    157       4.0279      0.00000
    158       4.0833      0.00000
    159       4.1650      0.00000
    160       4.2092      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4250      1.00000
      2     -21.6024      1.00000
      3     -21.4802      1.00000
      4     -21.4713      1.00000
      5     -21.4395      1.00000
      6     -21.4389      1.00000
      7     -21.4286      1.00000
      8     -19.7070      1.00000
      9     -19.6517      1.00000
     10     -19.6290      1.00000
     11     -19.6171      1.00000
     12     -19.6122      1.00000
     13     -19.6111      1.00000
     14     -18.7894      1.00000
     15     -18.7537      1.00000
     16     -18.7346      1.00000
     17     -18.7252      1.00000
     18     -18.7171      1.00000
     19     -18.7121      1.00000
     20     -16.6361      1.00000
     21     -16.6087      1.00000
     22     -16.5847      1.00000
     23     -16.5820      1.00000
     24     -16.5540      1.00000
     25     -16.5530      1.00000
     26     -15.6140      1.00000
     27     -15.6014      1.00000
     28     -15.5982      1.00000
     29     -15.5643      1.00000
     30     -15.5623      1.00000
     31     -15.5612      1.00000
     32     -14.2594      1.00000
     33     -14.2507      1.00000
     34     -14.2410      1.00000
     35     -14.2359      1.00000
     36     -14.2223      1.00000
     37     -14.2188      1.00000
     38     -11.9064      1.00000
     39     -11.8797      1.00000
     40     -11.8682      1.00000
     41     -11.8669      1.00000
     42     -11.8456      1.00000
     43     -11.8454      1.00000
     44     -11.7705      1.00000
     45     -11.7690      1.00000
     46     -11.7348      1.00000
     47     -11.7286      1.00000
     48     -11.7259      1.00000
     49     -11.7212      1.00000
     50     -10.6757      1.00000
     51     -10.3886      1.00000
     52     -10.3838      1.00000
     53     -10.3768      1.00000
     54     -10.3684      1.00000
     55     -10.3555      1.00000
     56     -10.3534      1.00000
     57      -9.9041      1.00000
     58      -9.4497      1.00000
     59      -9.4046      1.00000
     60      -9.3614      1.00000
     61      -9.3607      1.00000
     62      -9.3529      1.00000
     63      -9.1421      1.00000
     64      -9.1243      1.00000
     65      -9.1213      1.00000
     66      -9.0859      1.00000
     67      -9.0714      1.00000
     68      -9.0712      1.00000
     69      -9.0704      1.00000
     70      -9.0665      1.00000
     71      -9.0644      1.00000
     72      -9.0404      1.00000
     73      -9.0294      1.00000
     74      -9.0263      1.00000
     75      -8.1300      1.00000
     76      -7.7486      1.00000
     77      -7.4705      1.00000
     78      -7.4665      1.00000
     79      -7.4556      1.00000
     80      -7.4352      1.00000
     81      -7.4245      1.00000
     82      -7.4077      1.00000
     83      -7.3129      1.00000
     84      -7.2704      1.00000
     85      -7.2569      1.00000
     86      -7.2484      1.00000
     87      -7.1494      1.00000
     88      -7.0497      1.00000
     89      -6.4460      1.00000
     90      -6.4164      1.00000
     91      -6.4008      1.00000
     92      -6.3631      1.00000
     93      -6.3526      1.00000
     94      -6.3404      1.00000
     95      -5.9614      1.00000
     96      -5.9585      1.00000
     97      -4.8087      1.00000
     98      -4.5460      1.00000
     99      -4.4820      1.00000
    100      -4.4759      1.00000
    101      -4.3826      1.00000
    102      -4.3825      1.00000
    103      -4.2691      1.00000
    104      -4.1887      1.00000
    105      -3.7405      1.00000
    106      -3.4794      1.00000
    107      -1.8643      0.00000
    108      -1.6716      0.00000
    109      -1.6259      0.00000
    110      -1.5933      0.00000
    111      -1.5773      0.00000
    112      -1.5767      0.00000
    113      -0.4295      0.00000
    114       0.1448      0.00000
    115       0.1892      0.00000
    116       0.2530      0.00000
    117       0.2659      0.00000
    118       0.2686      0.00000
    119       0.4772      0.00000
    120       0.5467      0.00000
    121       1.2487      0.00000
    122       1.2905      0.00000
    123       1.5350      0.00000
    124       1.7695      0.00000
    125       1.7724      0.00000
    126       1.7726      0.00000
    127       1.8091      0.00000
    128       1.8265      0.00000
    129       1.9552      0.00000
    130       1.9660      0.00000
    131       1.9709      0.00000
    132       1.9855      0.00000
    133       1.9930      0.00000
    134       2.0768      0.00000
    135       2.2471      0.00000
    136       2.3479      0.00000
    137       2.6049      0.00000
    138       2.6066      0.00000
    139       2.6323      0.00000
    140       2.7098      0.00000
    141       2.9354      0.00000
    142       3.0569      0.00000
    143       3.0740      0.00000
    144       3.1077      0.00000
    145       3.1079      0.00000
    146       3.1131      0.00000
    147       3.1147      0.00000
    148       3.2759      0.00000
    149       3.4562      0.00000
    150       3.5042      0.00000
    151       3.8262      0.00000
    152       3.9523      0.00000
    153       3.9550      0.00000
    154       3.9579      0.00000
    155       3.9584      0.00000
    156       3.9967      0.00000
    157       4.1943      0.00000
    158       4.2613      0.00000
    159       4.2823      0.00000
    160       4.2833      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3884      1.00000
      2     -21.8295      1.00000
      3     -21.6371      1.00000
      4     -21.6091      1.00000
      5     -21.2736      1.00000
      6     -21.2341      1.00000
      7     -21.0559      1.00000
      8     -20.1670      1.00000
      9     -20.1286      1.00000
     10     -19.6076      1.00000
     11     -19.5966      1.00000
     12     -19.4167      1.00000
     13     -19.0893      1.00000
     14     -19.0589      1.00000
     15     -19.0485      1.00000
     16     -19.0408      1.00000
     17     -18.3602      1.00000
     18     -18.3516      1.00000
     19     -18.0191      1.00000
     20     -17.0697      1.00000
     21     -17.0307      1.00000
     22     -16.9447      1.00000
     23     -16.9392      1.00000
     24     -16.4682      1.00000
     25     -16.4625      1.00000
     26     -15.6133      1.00000
     27     -15.6067      1.00000
     28     -15.2525      1.00000
     29     -15.2439      1.00000
     30     -15.1849      1.00000
     31     -15.0980      1.00000
     32     -15.0711      1.00000
     33     -14.6981      1.00000
     34     -14.6961      1.00000
     35     -13.7267      1.00000
     36     -13.7237      1.00000
     37     -13.2366      1.00000
     38     -12.6152      1.00000
     39     -12.5849      1.00000
     40     -12.4543      1.00000
     41     -12.4501      1.00000
     42     -12.1103      1.00000
     43     -12.1051      1.00000
     44     -11.7164      1.00000
     45     -11.6854      1.00000
     46     -11.2356      1.00000
     47     -11.2269      1.00000
     48     -11.0184      1.00000
     49     -11.0101      1.00000
     50     -10.9262      1.00000
     51     -10.9046      1.00000
     52     -10.6307      1.00000
     53     -10.1563      1.00000
     54     -10.1504      1.00000
     55     -10.0932      1.00000
     56      -9.9984      1.00000
     57      -9.7026      1.00000
     58      -9.6961      1.00000
     59      -9.6552      1.00000
     60      -9.5920      1.00000
     61      -9.5766      1.00000
     62      -9.5588      1.00000
     63      -9.3088      1.00000
     64      -9.3035      1.00000
     65      -9.2734      1.00000
     66      -9.2359      1.00000
     67      -9.1359      1.00000
     68      -9.1175      1.00000
     69      -9.1107      1.00000
     70      -8.9389      1.00000
     71      -8.8716      1.00000
     72      -8.6055      1.00000
     73      -8.5916      1.00000
     74      -8.2367      1.00000
     75      -8.1027      1.00000
     76      -7.9137      1.00000
     77      -7.8638      1.00000
     78      -7.7733      1.00000
     79      -7.7579      1.00000
     80      -7.6919      1.00000
     81      -7.5619      1.00000
     82      -7.3406      1.00000
     83      -7.3240      1.00000
     84      -7.2037      1.00000
     85      -7.1234      1.00000
     86      -7.0320      1.00000
     87      -7.0126      1.00000
     88      -6.7045      1.00000
     89      -6.6776      1.00000
     90      -6.6411      1.00000
     91      -6.5974      1.00000
     92      -6.1184      1.00000
     93      -6.0629      1.00000
     94      -6.0319      1.00000
     95      -6.0110      1.00000
     96      -5.7840      1.00000
     97      -4.9763      1.00000
     98      -4.8327      1.00000
     99      -4.7479      1.00000
    100      -4.6803      1.00000
    101      -4.4705      1.00000
    102      -4.2052      1.00000
    103      -4.1727      1.00000
    104      -4.1290      1.00000
    105      -3.7307      1.00000
    106      -3.4896      1.00000
    107      -1.8726      0.00000
    108      -1.8103      0.00000
    109      -1.5266      0.00000
    110      -1.3789      0.00000
    111      -1.3232      0.00000
    112      -1.2900      0.00000
    113      -0.7220      0.00000
    114      -0.3777      0.00000
    115      -0.2512      0.00000
    116       0.0374      0.00000
    117       0.5550      0.00000
    118       0.6968      0.00000
    119       0.7438      0.00000
    120       1.0465      0.00000
    121       1.0971      0.00000
    122       1.1483      0.00000
    123       1.2253      0.00000
    124       1.3770      0.00000
    125       1.5229      0.00000
    126       1.5799      0.00000
    127       1.7143      0.00000
    128       1.8196      0.00000
    129       1.8560      0.00000
    130       1.8790      0.00000
    131       2.0976      0.00000
    132       2.1843      0.00000
    133       2.2405      0.00000
    134       2.3047      0.00000
    135       2.5108      0.00000
    136       2.5851      0.00000
    137       2.6487      0.00000
    138       2.7764      0.00000
    139       2.7947      0.00000
    140       2.8235      0.00000
    141       2.8701      0.00000
    142       2.8980      0.00000
    143       2.9523      0.00000
    144       3.0760      0.00000
    145       3.1507      0.00000
    146       3.3225      0.00000
    147       3.3931      0.00000
    148       3.4391      0.00000
    149       3.4658      0.00000
    150       3.6155      0.00000
    151       3.6469      0.00000
    152       3.6699      0.00000
    153       3.7134      0.00000
    154       3.9090      0.00000
    155       3.9635      0.00000
    156       4.0165      0.00000
    157       4.0730      0.00000
    158       4.2355      0.00000
    159       4.2484      0.00000
    160       4.2802      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2824      1.00000
      2     -22.0768      1.00000
      3     -21.7155      1.00000
      4     -21.6836      1.00000
      5     -20.9785      1.00000
      6     -20.9378      1.00000
      7     -20.6110      1.00000
      8     -20.5744      1.00000
      9     -20.5680      1.00000
     10     -20.0320      1.00000
     11     -19.5025      1.00000
     12     -19.4908      1.00000
     13     -19.3059      1.00000
     14     -19.3008      1.00000
     15     -18.4475      1.00000
     16     -18.4107      1.00000
     17     -17.9222      1.00000
     18     -17.9123      1.00000
     19     -17.7617      1.00000
     20     -17.7258      1.00000
     21     -17.4361      1.00000
     22     -17.4279      1.00000
     23     -17.3415      1.00000
     24     -16.4626      1.00000
     25     -16.4611      1.00000
     26     -15.9665      1.00000
     27     -15.4134      1.00000
     28     -15.4085      1.00000
     29     -15.0957      1.00000
     30     -15.0930      1.00000
     31     -14.8556      1.00000
     32     -14.8483      1.00000
     33     -14.2909      1.00000
     34     -14.2579      1.00000
     35     -13.4375      1.00000
     36     -13.4049      1.00000
     37     -13.1780      1.00000
     38     -13.1740      1.00000
     39     -12.9811      1.00000
     40     -12.9762      1.00000
     41     -12.6140      1.00000
     42     -12.6097      1.00000
     43     -12.1989      1.00000
     44     -11.5758      1.00000
     45     -11.5419      1.00000
     46     -11.3100      1.00000
     47     -11.2870      1.00000
     48     -11.1434      1.00000
     49     -10.6768      1.00000
     50     -10.6613      1.00000
     51     -10.5531      1.00000
     52     -10.3252      1.00000
     53     -10.3174      1.00000
     54     -10.1683      1.00000
     55     -10.1165      1.00000
     56     -10.1126      1.00000
     57      -9.7975      1.00000
     58      -9.7671      1.00000
     59      -9.7512      1.00000
     60      -9.6997      1.00000
     61      -9.6985      1.00000
     62      -9.6610      1.00000
     63      -9.3567      1.00000
     64      -9.3507      1.00000
     65      -9.3148      1.00000
     66      -9.0411      1.00000
     67      -8.9639      1.00000
     68      -8.9495      1.00000
     69      -8.7989      1.00000
     70      -8.5945      1.00000
     71      -8.5574      1.00000
     72      -8.3981      1.00000
     73      -8.3646      1.00000
     74      -8.3255      1.00000
     75      -8.3080      1.00000
     76      -8.2602      1.00000
     77      -8.2578      1.00000
     78      -8.2362      1.00000
     79      -7.9044      1.00000
     80      -7.6516      1.00000
     81      -7.5507      1.00000
     82      -7.3881      1.00000
     83      -7.3508      1.00000
     84      -7.2330      1.00000
     85      -7.0957      1.00000
     86      -7.0385      1.00000
     87      -6.9335      1.00000
     88      -6.8480      1.00000
     89      -6.6131      1.00000
     90      -6.5611      1.00000
     91      -6.2704      1.00000
     92      -6.0444      1.00000
     93      -5.9519      1.00000
     94      -5.6635      1.00000
     95      -5.6224      1.00000
     96      -5.4643      1.00000
     97      -5.3211      1.00000
     98      -5.2793      1.00000
     99      -5.2149      1.00000
    100      -5.1937      1.00000
    101      -4.5103      1.00000
    102      -4.2095      1.00000
    103      -4.0607      1.00000
    104      -3.9901      1.00000
    105      -3.6952      1.00000
    106      -3.4998      1.00000
    107      -1.9485      0.00000
    108      -1.8978      0.00000
    109      -1.3416      0.00000
    110      -1.0867      0.00000
    111      -1.0594      0.00000
    112      -0.8024      0.00000
    113      -0.6788      0.00000
    114      -0.6490      0.00000
    115      -0.6096      0.00000
    116      -0.1082      0.00000
    117       0.2127      0.00000
    118       0.3287      0.00000
    119       0.6934      0.00000
    120       0.8877      0.00000
    121       1.1255      0.00000
    122       1.1963      0.00000
    123       1.3258      0.00000
    124       1.4196      0.00000
    125       1.5513      0.00000
    126       1.5730      0.00000
    127       1.6764      0.00000
    128       1.8095      0.00000
    129       1.8827      0.00000
    130       2.0535      0.00000
    131       2.1314      0.00000
    132       2.3304      0.00000
    133       2.3623      0.00000
    134       2.3930      0.00000
    135       2.5437      0.00000
    136       2.6295      0.00000
    137       2.7271      0.00000
    138       2.7687      0.00000
    139       2.8356      0.00000
    140       2.8801      0.00000
    141       3.0448      0.00000
    142       3.0541      0.00000
    143       3.1610      0.00000
    144       3.2631      0.00000
    145       3.3586      0.00000
    146       3.4135      0.00000
    147       3.4325      0.00000
    148       3.5630      0.00000
    149       3.5807      0.00000
    150       3.5970      0.00000
    151       3.6569      0.00000
    152       3.6752      0.00000
    153       3.7794      0.00000
    154       3.8013      0.00000
    155       3.8167      0.00000
    156       3.8985      0.00000
    157       3.9182      0.00000
    158       4.0013      0.00000
    159       4.2117      0.00000
    160       4.2292      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3164      1.00000
      2     -21.9618      1.00000
      3     -21.8924      1.00000
      4     -21.3799      1.00000
      5     -21.3504      1.00000
      6     -20.8390      1.00000
      7     -20.7736      1.00000
      8     -20.6235      1.00000
      9     -20.0766      1.00000
     10     -20.0708      1.00000
     11     -19.7163      1.00000
     12     -19.6916      1.00000
     13     -18.9959      1.00000
     14     -18.9899      1.00000
     15     -18.6396      1.00000
     16     -18.6236      1.00000
     17     -18.4624      1.00000
     18     -17.6761      1.00000
     19     -17.6252      1.00000
     20     -17.6226      1.00000
     21     -17.5807      1.00000
     22     -17.1262      1.00000
     23     -17.1047      1.00000
     24     -16.9611      1.00000
     25     -16.0011      1.00000
     26     -15.9286      1.00000
     27     -15.5856      1.00000
     28     -15.5852      1.00000
     29     -15.2875      1.00000
     30     -14.8640      1.00000
     31     -14.8366      1.00000
     32     -14.5801      1.00000
     33     -14.5382      1.00000
     34     -14.1678      1.00000
     35     -14.1542      1.00000
     36     -13.1484      1.00000
     37     -13.1007      1.00000
     38     -13.0309      1.00000
     39     -13.0209      1.00000
     40     -12.7103      1.00000
     41     -12.7061      1.00000
     42     -12.3405      1.00000
     43     -12.3092      1.00000
     44     -11.6358      1.00000
     45     -11.6220      1.00000
     46     -11.5715      1.00000
     47     -10.9490      1.00000
     48     -10.9158      1.00000
     49     -10.6335      1.00000
     50     -10.6261      1.00000
     51     -10.5477      1.00000
     52     -10.4988      1.00000
     53     -10.4986      1.00000
     54     -10.4409      1.00000
     55     -10.3625      1.00000
     56     -10.0987      1.00000
     57      -9.9024      1.00000
     58      -9.6109      1.00000
     59      -9.5586      1.00000
     60      -9.4521      1.00000
     61      -9.4116      1.00000
     62      -9.4053      1.00000
     63      -9.3786      1.00000
     64      -9.3785      1.00000
     65      -9.2865      1.00000
     66      -9.1687      1.00000
     67      -9.1432      1.00000
     68      -9.1149      1.00000
     69      -8.8643      1.00000
     70      -8.8567      1.00000
     71      -8.8150      1.00000
     72      -8.5965      1.00000
     73      -8.4797      1.00000
     74      -8.1989      1.00000
     75      -8.1633      1.00000
     76      -8.0085      1.00000
     77      -7.9649      1.00000
     78      -7.8529      1.00000
     79      -7.8427      1.00000
     80      -7.7059      1.00000
     81      -7.6989      1.00000
     82      -7.6214      1.00000
     83      -7.4494      1.00000
     84      -7.2999      1.00000
     85      -7.2542      1.00000
     86      -6.9071      1.00000
     87      -6.8932      1.00000
     88      -6.5885      1.00000
     89      -6.5512      1.00000
     90      -6.4092      1.00000
     91      -6.2529      1.00000
     92      -6.2323      1.00000
     93      -6.2056      1.00000
     94      -6.0238      1.00000
     95      -5.5511      1.00000
     96      -5.4899      1.00000
     97      -5.3516      1.00000
     98      -5.2207      1.00000
     99      -4.9794      1.00000
    100      -4.7337      1.00000
    101      -4.6788      1.00000
    102      -4.3887      1.00000
    103      -4.2049      1.00000
    104      -3.8727      1.00000
    105      -3.5468      1.00000
    106      -3.5120      1.00000
    107      -2.2579      0.00000
    108      -1.4594      0.00000
    109      -1.3723      0.00000
    110      -1.2437      0.00000
    111      -1.1002      0.00000
    112      -0.9471      0.00000
    113      -0.8657      0.00000
    114      -0.8053      0.00000
    115      -0.1391      0.00000
    116       0.1099      0.00000
    117       0.2392      0.00000
    118       0.3766      0.00000
    119       0.6507      0.00000
    120       0.8336      0.00000
    121       0.9339      0.00000
    122       1.0633      0.00000
    123       1.2317      0.00000
    124       1.4487      0.00000
    125       1.5475      0.00000
    126       1.7629      0.00000
    127       1.7909      0.00000
    128       1.8768      0.00000
    129       1.9659      0.00000
    130       2.0475      0.00000
    131       2.1727      0.00000
    132       2.1969      0.00000
    133       2.4086      0.00000
    134       2.4702      0.00000
    135       2.5373      0.00000
    136       2.6011      0.00000
    137       2.6385      0.00000
    138       2.6933      0.00000
    139       2.7742      0.00000
    140       2.8332      0.00000
    141       2.9463      0.00000
    142       3.0794      0.00000
    143       3.1988      0.00000
    144       3.2182      0.00000
    145       3.2654      0.00000
    146       3.3255      0.00000
    147       3.3290      0.00000
    148       3.4679      0.00000
    149       3.4953      0.00000
    150       3.6958      0.00000
    151       3.7102      0.00000
    152       3.7307      0.00000
    153       3.8553      0.00000
    154       3.9174      0.00000
    155       3.9421      0.00000
    156       3.9752      0.00000
    157       4.0185      0.00000
    158       4.0312      0.00000
    159       4.0475      0.00000
    160       4.0698      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2095      1.00000
      2     -22.1163      1.00000
      3     -21.9556      1.00000
      4     -21.4033      1.00000
      5     -21.0490      1.00000
      6     -21.0129      1.00000
      7     -20.4999      1.00000
      8     -20.4604      1.00000
      9     -20.2943      1.00000
     10     -20.2749      1.00000
     11     -19.9567      1.00000
     12     -19.8909      1.00000
     13     -18.8819      1.00000
     14     -18.8130      1.00000
     15     -18.3529      1.00000
     16     -18.3065      1.00000
     17     -18.1529      1.00000
     18     -18.1354      1.00000
     19     -17.8269      1.00000
     20     -17.7891      1.00000
     21     -17.2525      1.00000
     22     -17.2410      1.00000
     23     -17.1658      1.00000
     24     -17.1324      1.00000
     25     -16.1094      1.00000
     26     -15.8848      1.00000
     27     -15.8696      1.00000
     28     -15.8342      1.00000
     29     -15.2376      1.00000
     30     -14.5549      1.00000
     31     -14.5270      1.00000
     32     -14.2813      1.00000
     33     -13.9647      1.00000
     34     -13.9570      1.00000
     35     -13.8213      1.00000
     36     -13.8051      1.00000
     37     -13.6152      1.00000
     38     -13.5711      1.00000
     39     -13.3690      1.00000
     40     -12.6340      1.00000
     41     -12.1817      1.00000
     42     -12.1335      1.00000
     43     -12.0715      1.00000
     44     -12.0191      1.00000
     45     -11.6712      1.00000
     46     -11.6575      1.00000
     47     -11.1395      1.00000
     48     -11.1189      1.00000
     49     -10.7944      1.00000
     50     -10.7306      1.00000
     51     -10.5290      1.00000
     52     -10.2109      1.00000
     53     -10.2054      1.00000
     54     -10.1635      1.00000
     55     -10.0188      1.00000
     56     -10.0038      1.00000
     57      -9.9906      1.00000
     58      -9.8022      1.00000
     59      -9.7986      1.00000
     60      -9.7634      1.00000
     61      -9.7587      1.00000
     62      -9.4541      1.00000
     63      -9.4169      1.00000
     64      -9.0803      1.00000
     65      -9.0741      1.00000
     66      -9.0413      1.00000
     67      -8.9564      1.00000
     68      -8.8766      1.00000
     69      -8.7136      1.00000
     70      -8.7012      1.00000
     71      -8.5659      1.00000
     72      -8.5430      1.00000
     73      -8.4993      1.00000
     74      -8.4642      1.00000
     75      -8.4535      1.00000
     76      -8.2601      1.00000
     77      -8.1253      1.00000
     78      -8.0431      1.00000
     79      -7.9170      1.00000
     80      -7.8633      1.00000
     81      -7.6148      1.00000
     82      -7.5491      1.00000
     83      -7.4896      1.00000
     84      -7.2694      1.00000
     85      -6.9977      1.00000
     86      -6.9252      1.00000
     87      -6.8839      1.00000
     88      -6.5335      1.00000
     89      -6.4879      1.00000
     90      -6.4612      1.00000
     91      -6.4098      1.00000
     92      -5.9846      1.00000
     93      -5.8979      1.00000
     94      -5.7853      1.00000
     95      -5.7593      1.00000
     96      -5.4332      1.00000
     97      -5.3300      1.00000
     98      -5.2310      1.00000
     99      -5.2187      1.00000
    100      -5.1882      1.00000
    101      -4.6930      1.00000
    102      -4.4229      1.00000
    103      -4.2114      1.00000
    104      -3.8359      1.00000
    105      -3.5312      1.00000
    106      -3.2749      1.00000
    107      -2.5327      0.00000
    108      -1.4607      0.00000
    109      -1.2682      0.00000
    110      -1.2045      0.00000
    111      -1.1742      0.00000
    112      -0.7217      0.00000
    113      -0.5058      0.00000
    114      -0.4138      0.00000
    115      -0.3413      0.00000
    116      -0.1477      0.00000
    117      -0.0055      0.00000
    118       0.1940      0.00000
    119       0.5604      0.00000
    120       0.6100      0.00000
    121       0.7954      0.00000
    122       0.9067      0.00000
    123       1.1318      0.00000
    124       1.4917      0.00000
    125       1.6356      0.00000
    126       1.8499      0.00000
    127       1.9257      0.00000
    128       2.1022      0.00000
    129       2.1136      0.00000
    130       2.1610      0.00000
    131       2.1926      0.00000
    132       2.2765      0.00000
    133       2.3448      0.00000
    134       2.4759      0.00000
    135       2.5838      0.00000
    136       2.6556      0.00000
    137       2.8506      0.00000
    138       2.8675      0.00000
    139       2.8904      0.00000
    140       3.0117      0.00000
    141       3.0228      0.00000
    142       3.1378      0.00000
    143       3.1901      0.00000
    144       3.2306      0.00000
    145       3.2721      0.00000
    146       3.2814      0.00000
    147       3.2974      0.00000
    148       3.3437      0.00000
    149       3.4220      0.00000
    150       3.4492      0.00000
    151       3.5549      0.00000
    152       3.6251      0.00000
    153       3.7176      0.00000
    154       3.7403      0.00000
    155       3.7699      0.00000
    156       3.8930      0.00000
    157       3.9398      0.00000
    158       4.0038      0.00000
    159       4.1266      0.00000
    160       4.2206      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3162      1.00000
      2     -21.9633      1.00000
      3     -21.8910      1.00000
      4     -21.3837      1.00000
      5     -21.3472      1.00000
      6     -20.8385      1.00000
      7     -20.7720      1.00000
      8     -20.6240      1.00000
      9     -20.0890      1.00000
     10     -20.0601      1.00000
     11     -19.7177      1.00000
     12     -19.6888      1.00000
     13     -19.0095      1.00000
     14     -18.9782      1.00000
     15     -18.6497      1.00000
     16     -18.6168      1.00000
     17     -18.4599      1.00000
     18     -17.6604      1.00000
     19     -17.6461      1.00000
     20     -17.6102      1.00000
     21     -17.5774      1.00000
     22     -17.1375      1.00000
     23     -17.0973      1.00000
     24     -16.9667      1.00000
     25     -16.0092      1.00000
     26     -15.9224      1.00000
     27     -15.5985      1.00000
     28     -15.5749      1.00000
     29     -15.2797      1.00000
     30     -14.8769      1.00000
     31     -14.8297      1.00000
     32     -14.5747      1.00000
     33     -14.5368      1.00000
     34     -14.1645      1.00000
     35     -14.1602      1.00000
     36     -13.1630      1.00000
     37     -13.0952      1.00000
     38     -13.0230      1.00000
     39     -13.0186      1.00000
     40     -12.7181      1.00000
     41     -12.6947      1.00000
     42     -12.3406      1.00000
     43     -12.3134      1.00000
     44     -11.6330      1.00000
     45     -11.6234      1.00000
     46     -11.5699      1.00000
     47     -10.9413      1.00000
     48     -10.9232      1.00000
     49     -10.6698      1.00000
     50     -10.5902      1.00000
     51     -10.5735      1.00000
     52     -10.5020      1.00000
     53     -10.4890      1.00000
     54     -10.4399      1.00000
     55     -10.3556      1.00000
     56     -10.1031      1.00000
     57      -9.8966      1.00000
     58      -9.6083      1.00000
     59      -9.5509      1.00000
     60      -9.4541      1.00000
     61      -9.4201      1.00000
     62      -9.4090      1.00000
     63      -9.3790      1.00000
     64      -9.3721      1.00000
     65      -9.2668      1.00000
     66      -9.1668      1.00000
     67      -9.1428      1.00000
     68      -9.1163      1.00000
     69      -8.8672      1.00000
     70      -8.8610      1.00000
     71      -8.8021      1.00000
     72      -8.5957      1.00000
     73      -8.5265      1.00000
     74      -8.1944      1.00000
     75      -8.1714      1.00000
     76      -8.0757      1.00000
     77      -7.8582      1.00000
     78      -7.8373      1.00000
     79      -7.8241      1.00000
     80      -7.7117      1.00000
     81      -7.6971      1.00000
     82      -7.5968      1.00000
     83      -7.5309      1.00000
     84      -7.3501      1.00000
     85      -7.1682      1.00000
     86      -6.9070      1.00000
     87      -6.8970      1.00000
     88      -6.5928      1.00000
     89      -6.5509      1.00000
     90      -6.4070      1.00000
     91      -6.3027      1.00000
     92      -6.2478      1.00000
     93      -6.2030      1.00000
     94      -6.0039      1.00000
     95      -5.5327      1.00000
     96      -5.4650      1.00000
     97      -5.3146      1.00000
     98      -5.2096      1.00000
     99      -5.0483      1.00000
    100      -4.7250      1.00000
    101      -4.6722      1.00000
    102      -4.4254      1.00000
    103      -4.1965      1.00000
    104      -3.8447      1.00000
    105      -3.6362      1.00000
    106      -3.4176      1.00000
    107      -2.2941      0.00000
    108      -1.5118      0.00000
    109      -1.2718      0.00000
    110      -1.2641      0.00000
    111      -1.0364      0.00000
    112      -0.9788      0.00000
    113      -0.8699      0.00000
    114      -0.8017      0.00000
    115      -0.2620      0.00000
    116       0.2017      0.00000
    117       0.2369      0.00000
    118       0.3594      0.00000
    119       0.6899      0.00000
    120       0.8918      0.00000
    121       0.9218      0.00000
    122       1.0401      0.00000
    123       1.1669      0.00000
    124       1.5089      0.00000
    125       1.5570      0.00000
    126       1.7093      0.00000
    127       1.7764      0.00000
    128       1.8333      0.00000
    129       1.9662      0.00000
    130       1.9831      0.00000
    131       2.1888      0.00000
    132       2.2584      0.00000
    133       2.4121      0.00000
    134       2.4754      0.00000
    135       2.5392      0.00000
    136       2.5968      0.00000
    137       2.6149      0.00000
    138       2.6967      0.00000
    139       2.7548      0.00000
    140       2.8628      0.00000
    141       3.0337      0.00000
    142       3.0779      0.00000
    143       3.1910      0.00000
    144       3.2500      0.00000
    145       3.2684      0.00000
    146       3.3010      0.00000
    147       3.3501      0.00000
    148       3.4524      0.00000
    149       3.5176      0.00000
    150       3.6898      0.00000
    151       3.7131      0.00000
    152       3.7535      0.00000
    153       3.8309      0.00000
    154       3.8930      0.00000
    155       3.9289      0.00000
    156       3.9758      0.00000
    157       4.0052      0.00000
    158       4.0447      0.00000
    159       4.0492      0.00000
    160       4.0951      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3883      1.00000
      2     -21.8296      1.00000
      3     -21.6404      1.00000
      4     -21.6053      1.00000
      5     -21.2778      1.00000
      6     -21.2307      1.00000
      7     -21.0552      1.00000
      8     -20.1706      1.00000
      9     -20.1243      1.00000
     10     -19.6165      1.00000
     11     -19.5905      1.00000
     12     -19.4145      1.00000
     13     -19.0940      1.00000
     14     -19.0554      1.00000
     15     -19.0512      1.00000
     16     -19.0380      1.00000
     17     -18.3665      1.00000
     18     -18.3469      1.00000
     19     -18.0156      1.00000
     20     -17.0719      1.00000
     21     -17.0227      1.00000
     22     -16.9498      1.00000
     23     -16.9362      1.00000
     24     -16.4761      1.00000
     25     -16.4638      1.00000
     26     -15.6094      1.00000
     27     -15.6089      1.00000
     28     -15.2492      1.00000
     29     -15.2373      1.00000
     30     -15.1907      1.00000
     31     -15.1008      1.00000
     32     -15.0680      1.00000
     33     -14.6986      1.00000
     34     -14.6978      1.00000
     35     -13.7255      1.00000
     36     -13.7253      1.00000
     37     -13.2345      1.00000
     38     -12.6246      1.00000
     39     -12.5805      1.00000
     40     -12.4538      1.00000
     41     -12.4485      1.00000
     42     -12.1055      1.00000
     43     -12.1009      1.00000
     44     -11.7228      1.00000
     45     -11.6840      1.00000
     46     -11.2467      1.00000
     47     -11.2262      1.00000
     48     -11.0168      1.00000
     49     -11.0052      1.00000
     50     -10.9282      1.00000
     51     -10.8995      1.00000
     52     -10.6367      1.00000
     53     -10.1723      1.00000
     54     -10.1492      1.00000
     55     -10.0844      1.00000
     56      -9.9917      1.00000
     57      -9.6961      1.00000
     58      -9.6894      1.00000
     59      -9.6695      1.00000
     60      -9.5928      1.00000
     61      -9.5690      1.00000
     62      -9.5532      1.00000
     63      -9.3122      1.00000
     64      -9.2994      1.00000
     65      -9.2827      1.00000
     66      -9.2454      1.00000
     67      -9.1214      1.00000
     68      -9.1122      1.00000
     69      -9.1103      1.00000
     70      -8.9386      1.00000
     71      -8.8777      1.00000
     72      -8.6069      1.00000
     73      -8.5880      1.00000
     74      -8.2714      1.00000
     75      -8.1013      1.00000
     76      -7.8701      1.00000
     77      -7.8429      1.00000
     78      -7.7909      1.00000
     79      -7.7648      1.00000
     80      -7.7558      1.00000
     81      -7.4488      1.00000
     82      -7.3349      1.00000
     83      -7.3236      1.00000
     84      -7.2664      1.00000
     85      -7.1620      1.00000
     86      -7.0177      1.00000
     87      -6.9860      1.00000
     88      -6.7181      1.00000
     89      -6.6903      1.00000
     90      -6.6313      1.00000
     91      -6.5902      1.00000
     92      -6.1179      1.00000
     93      -6.0607      1.00000
     94      -6.0449      1.00000
     95      -6.0306      1.00000
     96      -5.7475      1.00000
     97      -4.9763      1.00000
     98      -4.8408      1.00000
     99      -4.7093      1.00000
    100      -4.6736      1.00000
    101      -4.4852      1.00000
    102      -4.3544      1.00000
    103      -4.1134      1.00000
    104      -4.0569      1.00000
    105      -3.7563      1.00000
    106      -3.4671      1.00000
    107      -1.9527      0.00000
    108      -1.7728      0.00000
    109      -1.4816      0.00000
    110      -1.3576      0.00000
    111      -1.3375      0.00000
    112      -1.2943      0.00000
    113      -0.6796      0.00000
    114      -0.4733      0.00000
    115      -0.2380      0.00000
    116       0.0517      0.00000
    117       0.5867      0.00000
    118       0.6896      0.00000
    119       0.7679      0.00000
    120       1.0214      0.00000
    121       1.0941      0.00000
    122       1.1757      0.00000
    123       1.2501      0.00000
    124       1.3336      0.00000
    125       1.4314      0.00000
    126       1.5965      0.00000
    127       1.7684      0.00000
    128       1.8399      0.00000
    129       1.8581      0.00000
    130       1.8852      0.00000
    131       2.0498      0.00000
    132       2.2161      0.00000
    133       2.2292      0.00000
    134       2.2829      0.00000
    135       2.4788      0.00000
    136       2.6155      0.00000
    137       2.6490      0.00000
    138       2.7479      0.00000
    139       2.7944      0.00000
    140       2.8323      0.00000
    141       2.8446      0.00000
    142       2.8822      0.00000
    143       2.9578      0.00000
    144       3.0798      0.00000
    145       3.3203      0.00000
    146       3.3581      0.00000
    147       3.4121      0.00000
    148       3.4243      0.00000
    149       3.4244      0.00000
    150       3.5976      0.00000
    151       3.6559      0.00000
    152       3.6728      0.00000
    153       3.7275      0.00000
    154       3.8927      0.00000
    155       3.9270      0.00000
    156       3.9591      0.00000
    157       4.1138      0.00000
    158       4.2076      0.00000
    159       4.2518      0.00000
    160       4.2825      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2086      1.00000
      2     -22.1176      1.00000
      3     -21.9554      1.00000
      4     -21.4037      1.00000
      5     -21.0451      1.00000
      6     -21.0165      1.00000
      7     -20.4952      1.00000
      8     -20.4650      1.00000
      9     -20.2849      1.00000
     10     -20.2830      1.00000
     11     -19.9562      1.00000
     12     -19.8929      1.00000
     13     -18.8834      1.00000
     14     -18.8156      1.00000
     15     -18.3367      1.00000
     16     -18.3177      1.00000
     17     -18.1487      1.00000
     18     -18.1412      1.00000
     19     -17.8150      1.00000
     20     -17.7969      1.00000
     21     -17.2587      1.00000
     22     -17.2389      1.00000
     23     -17.1592      1.00000
     24     -17.1361      1.00000
     25     -16.1154      1.00000
     26     -15.8802      1.00000
     27     -15.8690      1.00000
     28     -15.8418      1.00000
     29     -15.2305      1.00000
     30     -14.5517      1.00000
     31     -14.5331      1.00000
     32     -14.2756      1.00000
     33     -13.9744      1.00000
     34     -13.9507      1.00000
     35     -13.8252      1.00000
     36     -13.8029      1.00000
     37     -13.6043      1.00000
     38     -13.5789      1.00000
     39     -13.3688      1.00000
     40     -12.6378      1.00000
     41     -12.1697      1.00000
     42     -12.1432      1.00000
     43     -12.0681      1.00000
     44     -12.0212      1.00000
     45     -11.6644      1.00000
     46     -11.6595      1.00000
     47     -11.1383      1.00000
     48     -11.1272      1.00000
     49     -10.7919      1.00000
     50     -10.7356      1.00000
     51     -10.5359      1.00000
     52     -10.2077      1.00000
     53     -10.2014      1.00000
     54     -10.1691      1.00000
     55     -10.0224      1.00000
     56      -9.9932      1.00000
     57      -9.9898      1.00000
     58      -9.8048      1.00000
     59      -9.7953      1.00000
     60      -9.7657      1.00000
     61      -9.7582      1.00000
     62      -9.4566      1.00000
     63      -9.4170      1.00000
     64      -9.0847      1.00000
     65      -9.0458      1.00000
     66      -9.0251      1.00000
     67      -8.9713      1.00000
     68      -8.8973      1.00000
     69      -8.7078      1.00000
     70      -8.6986      1.00000
     71      -8.5625      1.00000
     72      -8.5514      1.00000
     73      -8.4779      1.00000
     74      -8.4601      1.00000
     75      -8.4568      1.00000
     76      -8.3084      1.00000
     77      -8.0946      1.00000
     78      -8.0884      1.00000
     79      -7.9268      1.00000
     80      -7.8315      1.00000
     81      -7.6009      1.00000
     82      -7.5394      1.00000
     83      -7.4425      1.00000
     84      -7.3168      1.00000
     85      -6.9942      1.00000
     86      -6.9196      1.00000
     87      -6.8825      1.00000
     88      -6.5303      1.00000
     89      -6.5159      1.00000
     90      -6.4827      1.00000
     91      -6.4210      1.00000
     92      -5.9271      1.00000
     93      -5.9051      1.00000
     94      -5.7889      1.00000
     95      -5.7752      1.00000
     96      -5.3698      1.00000
     97      -5.3636      1.00000
     98      -5.2201      1.00000
     99      -5.2160      1.00000
    100      -5.1995      1.00000
    101      -4.7220      1.00000
    102      -4.4440      1.00000
    103      -4.1926      1.00000
    104      -3.8222      1.00000
    105      -3.5676      1.00000
    106      -3.2228      1.00000
    107      -2.5638      0.00000
    108      -1.4658      0.00000
    109      -1.2680      0.00000
    110      -1.1870      0.00000
    111      -1.1857      0.00000
    112      -0.6467      0.00000
    113      -0.5534      0.00000
    114      -0.4170      0.00000
    115      -0.3501      0.00000
    116      -0.0791      0.00000
    117      -0.0651      0.00000
    118       0.1259      0.00000
    119       0.5903      0.00000
    120       0.6247      0.00000
    121       0.8549      0.00000
    122       0.9843      0.00000
    123       1.0035      0.00000
    124       1.4943      0.00000
    125       1.6842      0.00000
    126       1.7605      0.00000
    127       1.8589      0.00000
    128       2.1102      0.00000
    129       2.1565      0.00000
    130       2.1941      0.00000
    131       2.2065      0.00000
    132       2.2560      0.00000
    133       2.3575      0.00000
    134       2.4923      0.00000
    135       2.5225      0.00000
    136       2.6624      0.00000
    137       2.8497      0.00000
    138       2.8567      0.00000
    139       2.9514      0.00000
    140       2.9999      0.00000
    141       3.0370      0.00000
    142       3.1330      0.00000
    143       3.2037      0.00000
    144       3.2410      0.00000
    145       3.2472      0.00000
    146       3.2776      0.00000
    147       3.3006      0.00000
    148       3.3527      0.00000
    149       3.4250      0.00000
    150       3.5492      0.00000
    151       3.5652      0.00000
    152       3.6446      0.00000
    153       3.6658      0.00000
    154       3.7137      0.00000
    155       3.7366      0.00000
    156       3.8942      0.00000
    157       3.9600      0.00000
    158       4.0350      0.00000
    159       4.0714      0.00000
    160       4.1816      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2820      1.00000
      2     -22.0773      1.00000
      3     -21.7192      1.00000
      4     -21.6799      1.00000
      5     -20.9818      1.00000
      6     -20.9340      1.00000
      7     -20.6104      1.00000
      8     -20.5778      1.00000
      9     -20.5645      1.00000
     10     -20.0310      1.00000
     11     -19.5130      1.00000
     12     -19.4831      1.00000
     13     -19.3110      1.00000
     14     -19.2981      1.00000
     15     -18.4488      1.00000
     16     -18.4055      1.00000
     17     -17.9274      1.00000
     18     -17.9071      1.00000
     19     -17.7652      1.00000
     20     -17.7201      1.00000
     21     -17.4416      1.00000
     22     -17.4233      1.00000
     23     -17.3371      1.00000
     24     -16.4721      1.00000
     25     -16.4616      1.00000
     26     -15.9693      1.00000
     27     -15.4111      1.00000
     28     -15.4102      1.00000
     29     -15.0963      1.00000
     30     -15.0931      1.00000
     31     -14.8526      1.00000
     32     -14.8406      1.00000
     33     -14.2975      1.00000
     34     -14.2538      1.00000
     35     -13.4442      1.00000
     36     -13.4004      1.00000
     37     -13.1755      1.00000
     38     -13.1744      1.00000
     39     -12.9843      1.00000
     40     -12.9755      1.00000
     41     -12.6111      1.00000
     42     -12.6093      1.00000
     43     -12.1961      1.00000
     44     -11.5807      1.00000
     45     -11.5393      1.00000
     46     -11.3143      1.00000
     47     -11.2839      1.00000
     48     -11.1415      1.00000
     49     -10.6939      1.00000
     50     -10.6648      1.00000
     51     -10.5472      1.00000
     52     -10.3215      1.00000
     53     -10.3138      1.00000
     54     -10.1747      1.00000
     55     -10.1232      1.00000
     56     -10.1094      1.00000
     57      -9.8109      1.00000
     58      -9.7520      1.00000
     59      -9.7516      1.00000
     60      -9.7016      1.00000
     61      -9.6978      1.00000
     62      -9.6458      1.00000
     63      -9.3524      1.00000
     64      -9.3508      1.00000
     65      -9.3203      1.00000
     66      -9.0277      1.00000
     67      -8.9613      1.00000
     68      -8.9574      1.00000
     69      -8.7745      1.00000
     70      -8.5941      1.00000
     71      -8.5883      1.00000
     72      -8.4230      1.00000
     73      -8.3489      1.00000
     74      -8.3236      1.00000
     75      -8.3021      1.00000
     76      -8.2669      1.00000
     77      -8.2558      1.00000
     78      -8.2414      1.00000
     79      -7.9208      1.00000
     80      -7.7339      1.00000
     81      -7.3797      1.00000
     82      -7.3505      1.00000
     83      -7.3257      1.00000
     84      -7.2174      1.00000
     85      -7.1606      1.00000
     86      -7.0648      1.00000
     87      -6.9610      1.00000
     88      -6.9048      1.00000
     89      -6.6164      1.00000
     90      -6.5567      1.00000
     91      -6.2741      1.00000
     92      -5.9965      1.00000
     93      -5.9592      1.00000
     94      -5.6758      1.00000
     95      -5.6494      1.00000
     96      -5.3877      1.00000
     97      -5.3150      1.00000
     98      -5.2942      1.00000
     99      -5.2123      1.00000
    100      -5.2009      1.00000
    101      -4.5134      1.00000
    102      -4.3410      1.00000
    103      -3.9983      1.00000
    104      -3.8873      1.00000
    105      -3.7944      1.00000
    106      -3.4449      1.00000
    107      -2.0364      0.00000
    108      -1.8649      0.00000
    109      -1.2200      0.00000
    110      -1.1849      0.00000
    111      -1.0380      0.00000
    112      -0.7745      0.00000
    113      -0.6789      0.00000
    114      -0.6623      0.00000
    115      -0.6116      0.00000
    116      -0.1016      0.00000
    117       0.2201      0.00000
    118       0.2392      0.00000
    119       0.7687      0.00000
    120       0.9828      0.00000
    121       1.0725      0.00000
    122       1.2389      0.00000
    123       1.2493      0.00000
    124       1.3414      0.00000
    125       1.5745      0.00000
    126       1.5818      0.00000
    127       1.6980      0.00000
    128       1.8008      0.00000
    129       1.9438      0.00000
    130       1.9572      0.00000
    131       2.0947      0.00000
    132       2.3018      0.00000
    133       2.3417      0.00000
    134       2.4136      0.00000
    135       2.5417      0.00000
    136       2.6271      0.00000
    137       2.7776      0.00000
    138       2.8385      0.00000
    139       2.8407      0.00000
    140       2.8660      0.00000
    141       3.0439      0.00000
    142       3.0979      0.00000
    143       3.1484      0.00000
    144       3.2205      0.00000
    145       3.3749      0.00000
    146       3.4151      0.00000
    147       3.5000      0.00000
    148       3.5433      0.00000
    149       3.5879      0.00000
    150       3.6067      0.00000
    151       3.6466      0.00000
    152       3.7318      0.00000
    153       3.7430      0.00000
    154       3.7804      0.00000
    155       3.8268      0.00000
    156       3.8811      0.00000
    157       4.0279      0.00000
    158       4.0833      0.00000
    159       4.1650      0.00000
    160       4.2092      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0438   -7.3899    4.1987   -1.2764   -0.2389   17.5986    0.1473   -0.5323    0.6339   -0.4650
x    -3.0913   -0.0374   -0.0633    0.0617   -0.0091   -2.9778   -0.0111   -0.0070    0.0049    0.0016
x    -0.0966    0.0016   -0.0013    0.0004    0.0003   -0.0237   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0438    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0942   -0.0087    0.0375    0.0376
y    -0.0459   -3.2465   -0.5382   -0.1636   -1.1804   -0.6055
z   204.0438    1.1255   -0.2801    0.0409    0.0091    0.0617    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0775    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1378
z    -0.2841    0.1864   -0.0386    0.0473   -0.1052    0.0013
 total charge-density along one line
x   212.0000  -10.2200    6.1467   -2.0863   -0.4746   19.5156   -0.9961    0.4746   -0.0451   -0.1260
x    -2.6443   -0.0277   -0.0611    0.0846   -0.0533   -2.2247   -0.0251   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0355   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2200    6.1467   -2.0863   -0.4746   19.5156   -0.9961    0.4746   -0.0451   -0.1260
y    -2.6443   -0.0277   -0.0611    0.0846   -0.0533   -2.2247   -0.0251   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0355   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4935  189.2927 -170.3603  153.6272 -139.3964  125.3807 -110.0628   93.9171  -78.3070
z    64.1033  -51.4574   40.3973  -31.1939   24.0970  -18.9141   15.0036  -11.6966    8.6987   -6.1087
z     4.1207   -2.7501    1.8142   -1.1054    0.5356   -0.1236   -0.1142    0.2302   -0.3107    0.4005
z    -0.4768    0.4936   -0.4407    0.3556   -0.2864    0.2511   -0.2331    0.2085   -0.1709    0.1317
z    -0.1036    0.0879   -0.0767    0.0637   -0.0491    0.0374   -0.0309    0.0276   -0.0243    0.0198
z    -0.0151    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.842   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.103   0.000   0.030   0.007   0.000   0.220
  0.000   0.131   0.000 -11.157   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.836  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.220   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.842   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.103   0.000   0.030   0.007   0.000   0.220
  0.000   0.131   0.000 -11.157   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.836  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.220   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.312   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.031   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.312   0.000   0.630   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.312   0.000   0.000   0.158   0.000  -0.192   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.415   0.000   0.077   0.585  -0.239   0.000   0.057   0.000   0.000
  0.000  -0.312   0.000   0.630   0.000   0.000  -0.192   0.000   0.379   0.000   0.000   0.000  -0.051   0.000   0.069   0.006
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.041   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.369  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.031   0.000   0.010   0.082   0.000  -0.239   0.000  -0.047  -0.420   0.176   0.000  -0.033   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.057   0.000   0.053   0.283  -0.033   0.000   0.264   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.645   0.262   8.029   8.936
  2        0.521   0.027   0.000   0.549
  3        0.521   0.027   0.000   0.549
  4        0.864   1.783   0.000   2.647
  5        0.864   1.783   0.000   2.647
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.646
 14        0.864   1.783   0.000   2.647
 15        0.864   1.784   0.000   2.647
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.648
 19        0.864   1.782   0.000   2.646
 20        0.864   1.783   0.000   2.646
 21        0.864   1.781   0.000   2.645
 22        0.864   1.770   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.782   0.000   2.646
 25        0.864   1.781   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.782   0.000   2.646
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.781   0.000   2.645
 33        0.864   1.781   0.000   2.645
 34        0.864   1.782   0.000   2.646
 35        0.864   1.781   0.000   2.645
 36        0.864   1.770   0.000   2.634
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.646
 39        0.864   1.783   0.000   2.647
 40        0.863   1.785   0.000   2.648
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.647
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.646
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.784   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.783   0.000   2.647
------------------------------------------------
tot       44.864  89.411   8.029 142.304
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  113.60: CPU time   57.39
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  437.60: CPU time  219.52
    STRESS:  VPU time 1314.73: CPU time  661.26
    FORCOR:  VPU time    8.65: CPU time    8.65
    FORHAR:  VPU time    2.29: CPU time    2.29
    MIXING:  VPU time    0.17: CPU time    0.18
 d Force = 0.1078243E-06[ 0.112E-06, 0.104E-06]  d Energy = 0.2045672E-06-0.967E-07
 d Force = 0.1114236E-01[ 0.111E-01, 0.111E-01]  d Ewald  =-0.3060130E+00 0.317E+00


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726323 eV

  energy  without entropy=     -471.726323  energy(sigma->0) =     -471.726323
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40820.52  40775.20 -47518.19    -39.25      0.00      0.00
  Hartree  40245.79  40226.69 -39504.36    -16.54      0.00      0.00
  E(xc)     -779.39   -779.68   -807.32     -0.25      0.00      0.00
  Local   -83350.51 -83295.06  84337.49     48.02      0.00      0.00
  n-local   -216.74   -215.59   -203.31      0.72      0.00      0.00
  augment     20.07     22.06     17.82      1.72      0.00      0.00
  Kinetic   3162.12   3175.58   3583.79      3.31      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.47     -0.61     -0.15     -0.11      0.00      0.00
  in kB       -0.29     -0.37     -0.09     -0.07      0.00      0.00
  external pressure =       -0.25 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.346739233  0.001539472  0.000000000     0.080987216  0.046744595  0.000000000
    -6.172043038 10.693355644  0.000000000    -0.000011659  0.093509285  0.000000000
     0.000000000  0.000000000 19.979629330     0.000000000  0.000000000  0.050050979

  length of vectors
    12.346739329 12.346739253 19.979629330     0.093509285  0.093509285  0.050050979


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.462E-05 -.491E-04 -.951E+03   0.451E-05 -.279E-04 0.960E+03   0.339E-20 0.162E-23 -.869E+01   -.275E-07 0.159E-07 0.134E-02
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.155E+01 -.892E+00 -.253E+01   0.982E-05 -.641E-05 0.182E-03
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.155E+01 0.892E+00 -.253E+01   -.982E-05 0.641E-05 0.182E-03
   -.203E+01 0.117E+01 0.163E+02   0.203E+01 -.117E+01 -.163E+02   -.169E-02 0.977E-03 -.235E-01   -.234E-03 0.132E-03 -.251E-04
   0.618E+01 0.686E+01 0.194E+02   -.618E+01 -.688E+01 -.193E+02   0.175E-02 0.192E-01 -.275E-01   -.140E-03 0.309E-04 -.132E-04
   0.112E+02 0.508E+01 0.161E+02   -.112E+02 -.509E+01 -.161E+02   0.217E-01 0.760E-02 -.488E-01   -.161E-03 0.117E-03 -.868E-05
   0.474E+01 -.895E+00 0.125E+02   -.476E+01 0.903E+00 -.125E+02   0.160E-01 -.829E-02 -.190E-01   -.199E-03 0.833E-04 -.140E-05
   -.307E+01 -.254E+01 0.126E+02   0.307E+01 0.254E+01 -.126E+02   -.544E-03 0.206E-02 -.126E-01   -.216E-03 0.128E-03 -.178E-04
   0.667E+00 0.393E+01 0.126E+02   -.666E+00 -.393E+01 -.126E+02   -.206E-02 -.561E-03 -.126E-01   -.224E-03 0.117E-03 -.211E-04
   0.242E+01 0.188E+02 0.240E+02   -.242E+01 -.189E+02 -.240E+02   -.621E-03 0.104E+00 -.474E-01   -.162E-03 0.191E-03 -.984E-05
   0.227E+02 0.214E+02 0.422E+02   -.228E+02 -.216E+02 -.422E+02   0.771E-01 0.263E+00 -.608E-01   -.292E-03 0.664E-04 0.124E-04
   0.268E+02 -.344E+01 0.257E+02   -.271E+02 0.355E+01 -.256E+02   0.271E+00 -.110E+00 -.330E-01   -.183E-03 0.204E-04 -.773E-04
   0.916E+01 -.529E+01 0.136E+02   -.920E+01 0.531E+01 -.136E+02   0.426E-01 -.246E-01 -.120E-01   -.199E-03 0.108E-03 -.486E-04
   0.314E+01 -.366E+01 0.125E+02   -.316E+01 0.367E+01 -.125E+02   0.152E-01 -.972E-02 -.190E-01   -.174E-03 0.126E-03 -.898E-05
   -.590E+01 0.136E+02 0.162E+02   0.590E+01 -.137E+02 -.161E+02   -.108E-02 0.710E-01 -.508E-01   -.243E-03 0.472E-04 -.346E-04
   -.118E+02 0.363E+02 0.478E+02   0.119E+02 -.369E+02 -.481E+02   -.296E-01 0.613E+00 0.295E+00   -.248E-03 0.293E-05 -.458E-04
   0.237E+02 -.137E+02 0.942E+02   -.244E+02 0.141E+02 -.962E+02   0.641E+00 -.370E+00 0.206E+01   -.114E-03 0.630E-04 -.649E-04
   0.164E+02 -.215E+02 0.257E+02   -.166E+02 0.217E+02 -.256E+02   0.230E+00 -.180E+00 -.330E-01   -.111E-03 0.141E-03 -.817E-04
   0.120E+01 -.122E+02 0.161E+02   -.121E+01 0.123E+02 -.161E+02   0.428E-02 -.226E-01 -.488E-01   -.178E-03 0.794E-04 -.136E-04
   -.413E+01 0.191E+01 0.116E+02   0.413E+01 -.192E+01 -.116E+02   0.910E-03 0.875E-02 -.436E-01   -.170E-03 0.794E-04 -.253E-04
   -.193E+02 0.111E+02 0.218E+02   0.193E+02 -.112E+02 -.218E+02   -.488E-01 0.281E-01 -.420E-01   -.144E-03 0.868E-04 -.993E-04
   -.374E+02 -.789E+01 0.478E+02   0.379E+02 0.817E+01 -.481E+02   -.546E+00 -.281E+00 0.295E+00   -.123E-03 0.213E-03 -.430E-04
   -.715E+01 -.304E+02 0.422E+02   0.734E+01 0.306E+02 -.422E+02   -.189E+00 -.198E+00 -.608E-01   -.200E-03 0.215E-03 0.107E-04
   -.285E+01 -.878E+01 0.194E+02   0.287E+01 0.879E+01 -.193E+02   -.158E-01 -.111E-01 -.275E-01   -.951E-04 0.104E-03 -.138E-04
   0.141E+01 -.813E+00 0.135E+02   -.141E+01 0.814E+00 -.134E+02   0.368E-03 -.213E-03 -.180E-01   -.186E-03 0.109E-03 -.190E-04
   -.372E+01 0.262E+01 0.116E+02   0.373E+01 -.262E+01 -.116E+02   -.713E-02 -.516E-02 -.436E-01   -.152E-03 0.112E-03 -.210E-04
   -.148E+02 -.171E+01 0.162E+02   0.148E+02 0.174E+01 -.161E+02   -.621E-01 -.346E-01 -.508E-01   -.161E-03 0.185E-03 -.277E-04
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.907E-01 -.516E-01 -.474E-01   -.245E-03 0.393E-04 -.723E-05
   0.285E+01 0.878E+01 0.194E+02   -.287E+01 -.879E+01 -.193E+02   0.158E-01 0.111E-01 -.275E-01   0.951E-04 -.104E-03 -.138E-04
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.907E-01 0.516E-01 -.474E-01   0.245E-03 -.393E-04 -.723E-05
   0.148E+02 0.171E+01 0.162E+02   -.148E+02 -.174E+01 -.161E+02   0.621E-01 0.346E-01 -.508E-01   0.161E-03 -.185E-03 -.277E-04
   0.372E+01 -.262E+01 0.116E+02   -.373E+01 0.262E+01 -.116E+02   0.713E-02 0.516E-02 -.436E-01   0.152E-03 -.112E-03 -.210E-04
   -.141E+01 0.813E+00 0.135E+02   0.141E+01 -.814E+00 -.134E+02   -.368E-03 0.213E-03 -.180E-01   0.186E-03 -.109E-03 -.190E-04
   -.120E+01 0.122E+02 0.161E+02   0.121E+01 -.123E+02 -.161E+02   -.428E-02 0.226E-01 -.488E-01   0.178E-03 -.794E-04 -.136E-04
   0.715E+01 0.304E+02 0.422E+02   -.734E+01 -.306E+02 -.422E+02   0.189E+00 0.198E+00 -.608E-01   0.200E-03 -.215E-03 0.107E-04
   0.374E+02 0.789E+01 0.478E+02   -.379E+02 -.817E+01 -.481E+02   0.546E+00 0.281E+00 0.295E+00   0.123E-03 -.213E-03 -.430E-04
   0.193E+02 -.111E+02 0.218E+02   -.193E+02 0.112E+02 -.218E+02   0.488E-01 -.281E-01 -.420E-01   0.144E-03 -.868E-04 -.993E-04
   0.413E+01 -.191E+01 0.116E+02   -.413E+01 0.192E+01 -.116E+02   -.910E-03 -.875E-02 -.436E-01   0.170E-03 -.794E-04 -.253E-04
   -.314E+01 0.366E+01 0.125E+02   0.316E+01 -.367E+01 -.125E+02   -.152E-01 0.972E-02 -.190E-01   0.174E-03 -.126E-03 -.897E-05
   -.164E+02 0.215E+02 0.257E+02   0.166E+02 -.217E+02 -.256E+02   -.230E+00 0.180E+00 -.330E-01   0.111E-03 -.141E-03 -.817E-04
   -.237E+02 0.137E+02 0.942E+02   0.244E+02 -.141E+02 -.962E+02   -.641E+00 0.370E+00 0.206E+01   0.114E-03 -.630E-04 -.649E-04
   0.118E+02 -.363E+02 0.478E+02   -.119E+02 0.369E+02 -.481E+02   0.296E-01 -.613E+00 0.295E+00   0.248E-03 -.293E-05 -.458E-04
   0.590E+01 -.136E+02 0.162E+02   -.590E+01 0.137E+02 -.161E+02   0.108E-02 -.710E-01 -.508E-01   0.243E-03 -.472E-04 -.346E-04
   -.667E+00 -.393E+01 0.126E+02   0.666E+00 0.393E+01 -.126E+02   0.206E-02 0.561E-03 -.126E-01   0.224E-03 -.117E-03 -.211E-04
   -.916E+01 0.529E+01 0.136E+02   0.920E+01 -.531E+01 -.136E+02   -.426E-01 0.246E-01 -.120E-01   0.199E-03 -.108E-03 -.486E-04
   -.268E+02 0.344E+01 0.257E+02   0.271E+02 -.355E+01 -.256E+02   -.271E+00 0.110E+00 -.330E-01   0.183E-03 -.204E-04 -.773E-04
   -.227E+02 -.214E+02 0.422E+02   0.228E+02 0.216E+02 -.422E+02   -.771E-01 -.263E+00 -.608E-01   0.292E-03 -.664E-04 0.124E-04
   -.242E+01 -.188E+02 0.240E+02   0.242E+01 0.189E+02 -.240E+02   0.621E-03 -.104E+00 -.474E-01   0.162E-03 -.191E-03 -.984E-05
   0.203E+01 -.117E+01 0.163E+02   -.203E+01 0.117E+01 -.163E+02   0.169E-02 -.977E-03 -.235E-01   0.234E-03 -.132E-03 -.251E-04
   0.307E+01 0.254E+01 0.126E+02   -.307E+01 -.254E+01 -.126E+02   0.544E-03 -.206E-02 -.126E-01   0.216E-03 -.128E-03 -.178E-04
   -.474E+01 0.895E+00 0.125E+02   0.476E+01 -.903E+00 -.125E+02   -.160E-01 0.829E-02 -.190E-01   0.199E-03 -.833E-04 -.140E-05
   -.112E+02 -.508E+01 0.161E+02   0.112E+02 0.509E+01 -.161E+02   -.217E-01 -.760E-02 -.488E-01   0.161E-03 -.117E-03 -.868E-05
   -.618E+01 -.686E+01 0.194E+02   0.618E+01 0.688E+01 -.193E+02   -.175E-02 -.192E-01 -.275E-01   0.140E-03 -.309E-04 -.132E-04
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.292E-03 0.100E+02   -.128E-12 0.391E-13 -.572E-12   0.445E-15 -.160E-15 -.100E+02   -.283E-07 0.162E-07 0.295E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85276      6.06024     12.25928         0.000000      0.000000      0.008049
      1.07555      6.50896     13.51834        -0.001158      0.000669      0.016423
      2.62998      5.61151     13.51834         0.001158     -0.000669      0.016423
      0.00011     -0.00006      9.90741         0.000070     -0.000041      0.000684
     -1.23479      2.13726      9.90613         0.002306     -0.004524     -0.000046
     -2.47006      4.27708      9.92616         0.000572      0.001260     -0.000686
     -3.70371      6.41612      9.93398         0.000623     -0.000137     -0.001967
     -4.93740      8.55467      9.92438        -0.001480      0.001284      0.000065
      2.46948      0.00011      9.92438        -0.001852      0.000640      0.000065
      1.23416      2.13709      9.91570         0.002254      0.004131     -0.000280
     -0.00238      4.27155      9.92837        -0.005202      0.002291     -0.002302
     -1.23809      6.41687      9.95030         0.003154     -0.000580     -0.000443
     -2.46861      8.55518      9.93561         0.000864     -0.000499      0.000738
      4.93836      0.00098      9.93398         0.000430     -0.000471     -0.001967
      3.70471      2.13739      9.93714        -0.000721     -0.001912     -0.000217
      2.47038      4.26947      9.96504         0.000651     -0.001021     -0.003756
      1.22959      6.42002      9.97121         0.001092     -0.000631     -0.003614
     -0.00152      8.55867      9.95030         0.002079     -0.002442     -0.000443
      7.40765      0.00213      9.92616        -0.000805     -0.001125     -0.000686
      6.17331      2.13970      9.93245        -0.000052     -0.000244     -0.000269
      4.93975      4.27797      9.94505         0.003514     -0.002029      0.001138
      3.71242      6.42075      9.96504         0.001210     -0.000053     -0.003756
      2.47424      8.56118      9.92837        -0.004585      0.003360     -0.002302
      9.87843      0.00227      9.90613         0.005071      0.000265     -0.000046
      8.64285      2.13998      9.91728        -0.001871      0.001080      0.000411
      7.40832      4.27880      9.93245         0.000185      0.000167     -0.000269
      6.17602      6.41783      9.93714         0.001296      0.001580     -0.000217
      4.94101      8.55753      9.91570        -0.002450     -0.004017     -0.000280
     -0.00086      1.42484      9.90613        -0.005071     -0.000265     -0.000046
     -1.23548      3.56294      9.91570         0.002450      0.004017     -0.000280
     -2.47049      5.70265      9.93714        -0.001296     -0.001580     -0.000217
     -3.70279      7.84167      9.93245        -0.000185     -0.000167     -0.000269
     -4.93732      9.98049      9.91728         0.001871     -0.001080      0.000411
      2.46992      1.42498      9.92616         0.000805      0.001125     -0.000686
      1.23128      3.55929      9.92837         0.004585     -0.003360     -0.002302
     -0.00689      5.69972      9.96504        -0.001210      0.000053     -0.003756
     -1.23422      7.84251      9.94505        -0.003514      0.002029      0.001138
     -2.46779      9.98077      9.93245         0.000052      0.000244     -0.000269
      4.93921      1.42613      9.93398        -0.000430      0.000471     -0.001967
      3.70705      3.56180      9.95030        -0.002079      0.002442     -0.000443
      2.47593      5.70045      9.97121        -0.001092      0.000631     -0.003614
      1.23515      7.85100      9.96504        -0.000651      0.001021     -0.003756
      0.00082      9.98308      9.93714         0.000721      0.001912     -0.000217
      7.40809      1.42700      9.92438         0.001852     -0.000640      0.000065
      6.17413      3.56529      9.93561        -0.000864      0.000499      0.000738
      4.94361      5.70360      9.95030        -0.003154      0.000580     -0.000443
      3.70790      7.84892      9.92837         0.005202     -0.002291     -0.002302
      2.47136      9.98338      9.91570        -0.002254     -0.004131     -0.000280
      9.87746      1.42718      9.90741        -0.000070      0.000041      0.000684
      8.64292      3.56580      9.92438         0.001480     -0.001284      0.000065
      7.40924      5.70435      9.93398        -0.000623      0.000137     -0.001967
      6.17558      7.84339      9.92616        -0.000572     -0.001260     -0.000686
      4.94032      9.98321      9.90613        -0.002306      0.004524     -0.000046
 -----------------------------------------------------------------------------------
    total drift:                               -0.001806      0.000292      0.007737


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.96: CPU time    1.96
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.29: CPU time    1.29
    ORTHCH:  VPU time  181.43: CPU time   91.10
     LOOP+:  VPU time 4909.95: CPU time 2525.03


----------------------------------------- Iteration   13(   1)  ---------------------------------------


    POTLOK:  VPU time    9.06: CPU time    9.06
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 1799.51: CPU time  931.86
 BZINTS: Fermi energy: -3.214298;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  111.87: CPU time   56.40
    MIXING:  VPU time    0.17: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1921.00: CPU time  997.85

 eigenvalue-minimisations  :  6056
 total energy-change (2. order) :-0.4717265E+03  (-0.8803557E-03)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9573383 magnetization   -0.0000002

 Broyden mixing:
  rms(total) = 0.44489E-02    rms(broyden)= 0.44481E-02
  rms(prec ) = 0.50635E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34095.70718496
  -1/2 Hartree   DENC   =    -40984.40029885
  -V(xc)+E(xc)   XCENC  =       726.53094569
  PAW double counting   =      4092.67807460    -4131.02330580
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2476.65896058
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72650638 eV

  energy without entropy =     -471.72650638  energy(sigma->0) =     -471.72650638


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   13(   2)  ---------------------------------------


    POTLOK:  VPU time    9.02: CPU time    9.02
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1556.77: CPU time  806.90
 BZINTS: Fermi energy: -3.190664;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1566.19: CPU time  816.30

 eigenvalue-minimisations  :  4944
 total energy-change (2. order) : 0.7926471E-04  (-0.2246036E-04)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9573383 magnetization   -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34095.70718496
  -1/2 Hartree   DENC   =    -40984.93592623
  -V(xc)+E(xc)   XCENC  =       726.54942413
  PAW double counting   =      4093.19160254    -4131.53934010
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2476.13922601
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72642711 eV

  energy without entropy =     -471.72642711  energy(sigma->0) =     -471.72642711


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2223       2 -39.5338       3 -39.5338       4 -58.3219       5 -58.3258
       6 -58.3284       7 -58.3228       8 -58.3233       9 -58.3232      10 -58.3295
      11 -58.3956      12 -58.3593      13 -58.3314      14 -58.3228      15 -58.3326
      16 -58.5509      17 -58.7375      18 -58.3594      19 -58.3284      20 -58.3278
      21 -58.3656      22 -58.5509      23 -58.3956      24 -58.3258      25 -58.3313
      26 -58.3278      27 -58.3326      28 -58.3296      29 -58.3257      30 -58.3294
      31 -58.3325      32 -58.3277      33 -58.3312      34 -58.3283      35 -58.3955
      36 -58.5508      37 -58.3656      38 -58.3277      39 -58.3227      40 -58.3592
      41 -58.7374      42 -58.5508      43 -58.3325      44 -58.3232      45 -58.3313
      46 -58.3592      47 -58.3955      48 -58.3294      49 -58.3217      50 -58.3231
      51 -58.3227      52 -58.3283      53 -58.3257
 
 
 
 E-fermi :  -3.1907     XC(G=0):  -2.3452     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4328      1.00000
      2     -21.6096      1.00000
      3     -21.4879      1.00000
      4     -21.4789      1.00000
      5     -21.4473      1.00000
      6     -21.4466      1.00000
      7     -21.4363      1.00000
      8     -19.7142      1.00000
      9     -19.6590      1.00000
     10     -19.6357      1.00000
     11     -19.6251      1.00000
     12     -19.6200      1.00000
     13     -19.6182      1.00000
     14     -18.7969      1.00000
     15     -18.7609      1.00000
     16     -18.7411      1.00000
     17     -18.7317      1.00000
     18     -18.7243      1.00000
     19     -18.7200      1.00000
     20     -16.6412      1.00000
     21     -16.6156      1.00000
     22     -16.5916      1.00000
     23     -16.5882      1.00000
     24     -16.5610      1.00000
     25     -16.5595      1.00000
     26     -15.6205      1.00000
     27     -15.6099      1.00000
     28     -15.6060      1.00000
     29     -15.5713      1.00000
     30     -15.5698      1.00000
     31     -15.5670      1.00000
     32     -14.2661      1.00000
     33     -14.2568      1.00000
     34     -14.2480      1.00000
     35     -14.2432      1.00000
     36     -14.2285      1.00000
     37     -14.2261      1.00000
     38     -11.9128      1.00000
     39     -11.8862      1.00000
     40     -11.8760      1.00000
     41     -11.8717      1.00000
     42     -11.8513      1.00000
     43     -11.8513      1.00000
     44     -11.7776      1.00000
     45     -11.7758      1.00000
     46     -11.7417      1.00000
     47     -11.7355      1.00000
     48     -11.7327      1.00000
     49     -11.7289      1.00000
     50     -10.6807      1.00000
     51     -10.3947      1.00000
     52     -10.3912      1.00000
     53     -10.3839      1.00000
     54     -10.3748      1.00000
     55     -10.3632      1.00000
     56     -10.3603      1.00000
     57      -9.9085      1.00000
     58      -9.4551      1.00000
     59      -9.4101      1.00000
     60      -9.3670      1.00000
     61      -9.3664      1.00000
     62      -9.3585      1.00000
     63      -9.1488      1.00000
     64      -9.1307      1.00000
     65      -9.1278      1.00000
     66      -9.0928      1.00000
     67      -9.0783      1.00000
     68      -9.0774      1.00000
     69      -9.0763      1.00000
     70      -9.0720      1.00000
     71      -9.0715      1.00000
     72      -9.0454      1.00000
     73      -9.0351      1.00000
     74      -9.0334      1.00000
     75      -8.1320      1.00000
     76      -7.7495      1.00000
     77      -7.4773      1.00000
     78      -7.4730      1.00000
     79      -7.4609      1.00000
     80      -7.4417      1.00000
     81      -7.4314      1.00000
     82      -7.4129      1.00000
     83      -7.3174      1.00000
     84      -7.2760      1.00000
     85      -7.2622      1.00000
     86      -7.2533      1.00000
     87      -7.1530      1.00000
     88      -7.0520      1.00000
     89      -6.4505      1.00000
     90      -6.4205      1.00000
     91      -6.4050      1.00000
     92      -6.3683      1.00000
     93      -6.3579      1.00000
     94      -6.3447      1.00000
     95      -5.9677      1.00000
     96      -5.9638      1.00000
     97      -4.8103      1.00000
     98      -4.5497      1.00000
     99      -4.4864      1.00000
    100      -4.4794      1.00000
    101      -4.3876      1.00000
    102      -4.3869      1.00000
    103      -4.2709      1.00000
    104      -4.1908      1.00000
    105      -3.7431      1.00000
    106      -3.4817      1.00000
    107      -1.8685      0.00000
    108      -1.6753      0.00000
    109      -1.6289      0.00000
    110      -1.5966      0.00000
    111      -1.5811      0.00000
    112      -1.5803      0.00000
    113      -0.4322      0.00000
    114       0.1417      0.00000
    115       0.1858      0.00000
    116       0.2492      0.00000
    117       0.2625      0.00000
    118       0.2658      0.00000
    119       0.4737      0.00000
    120       0.5406      0.00000
    121       1.2439      0.00000
    122       1.2877      0.00000
    123       1.5253      0.00000
    124       1.7644      0.00000
    125       1.7672      0.00000
    126       1.7673      0.00000
    127       1.8114      0.00000
    128       1.8228      0.00000
    129       1.9515      0.00000
    130       1.9621      0.00000
    131       1.9689      0.00000
    132       1.9832      0.00000
    133       1.9904      0.00000
    134       2.0703      0.00000
    135       2.2391      0.00000
    136       2.3444      0.00000
    137       2.5962      0.00000
    138       2.5986      0.00000
    139       2.6226      0.00000
    140       2.7076      0.00000
    141       2.9318      0.00000
    142       3.0549      0.00000
    143       3.0765      0.00000
    144       3.1057      0.00000
    145       3.1126      0.00000
    146       3.1162      0.00000
    147       3.1206      0.00000
    148       3.2719      0.00000
    149       3.4516      0.00000
    150       3.5014      0.00000
    151       3.8262      0.00000
    152       3.9594      0.00000
    153       3.9599      0.00000
    154       3.9632      0.00000
    155       3.9690      0.00000
    156       3.9945      0.00000
    157       4.1842      0.00000
    158       4.2571      0.00000
    159       4.2712      0.00000
    160       4.2787      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3961      1.00000
      2     -21.8370      1.00000
      3     -21.6447      1.00000
      4     -21.6169      1.00000
      5     -21.2811      1.00000
      6     -21.2418      1.00000
      7     -21.0634      1.00000
      8     -20.1743      1.00000
      9     -20.1361      1.00000
     10     -19.6152      1.00000
     11     -19.6038      1.00000
     12     -19.4239      1.00000
     13     -19.0962      1.00000
     14     -19.0668      1.00000
     15     -19.0556      1.00000
     16     -19.0477      1.00000
     17     -18.3674      1.00000
     18     -18.3586      1.00000
     19     -18.0258      1.00000
     20     -17.0758      1.00000
     21     -17.0372      1.00000
     22     -16.9507      1.00000
     23     -16.9467      1.00000
     24     -16.4745      1.00000
     25     -16.4701      1.00000
     26     -15.6198      1.00000
     27     -15.6145      1.00000
     28     -15.2591      1.00000
     29     -15.2501      1.00000
     30     -15.1919      1.00000
     31     -15.1054      1.00000
     32     -15.0779      1.00000
     33     -14.7053      1.00000
     34     -14.7028      1.00000
     35     -13.7335      1.00000
     36     -13.7301      1.00000
     37     -13.2431      1.00000
     38     -12.6218      1.00000
     39     -12.5911      1.00000
     40     -12.4617      1.00000
     41     -12.4573      1.00000
     42     -12.1164      1.00000
     43     -12.1109      1.00000
     44     -11.7235      1.00000
     45     -11.6927      1.00000
     46     -11.2419      1.00000
     47     -11.2333      1.00000
     48     -11.0251      1.00000
     49     -11.0168      1.00000
     50     -10.9329      1.00000
     51     -10.9119      1.00000
     52     -10.6357      1.00000
     53     -10.1628      1.00000
     54     -10.1578      1.00000
     55     -10.0993      1.00000
     56     -10.0035      1.00000
     57      -9.7085      1.00000
     58      -9.7029      1.00000
     59      -9.6608      1.00000
     60      -9.5981      1.00000
     61      -9.5825      1.00000
     62      -9.5650      1.00000
     63      -9.3150      1.00000
     64      -9.3102      1.00000
     65      -9.2789      1.00000
     66      -9.2427      1.00000
     67      -9.1414      1.00000
     68      -9.1236      1.00000
     69      -9.1177      1.00000
     70      -8.9443      1.00000
     71      -8.8785      1.00000
     72      -8.6107      1.00000
     73      -8.5979      1.00000
     74      -8.2398      1.00000
     75      -8.1085      1.00000
     76      -7.9178      1.00000
     77      -7.8702      1.00000
     78      -7.7799      1.00000
     79      -7.7637      1.00000
     80      -7.6951      1.00000
     81      -7.5641      1.00000
     82      -7.3474      1.00000
     83      -7.3298      1.00000
     84      -7.2087      1.00000
     85      -7.1271      1.00000
     86      -7.0359      1.00000
     87      -7.0187      1.00000
     88      -6.7093      1.00000
     89      -6.6821      1.00000
     90      -6.6455      1.00000
     91      -6.6020      1.00000
     92      -6.1244      1.00000
     93      -6.0675      1.00000
     94      -6.0371      1.00000
     95      -6.0161      1.00000
     96      -5.7881      1.00000
     97      -4.9790      1.00000
     98      -4.8373      1.00000
     99      -4.7520      1.00000
    100      -4.6846      1.00000
    101      -4.4723      1.00000
    102      -4.2068      1.00000
    103      -4.1771      1.00000
    104      -4.1326      1.00000
    105      -3.7335      1.00000
    106      -3.4920      1.00000
    107      -1.8762      0.00000
    108      -1.8136      0.00000
    109      -1.5300      0.00000
    110      -1.3819      0.00000
    111      -1.3273      0.00000
    112      -1.2934      0.00000
    113      -0.7254      0.00000
    114      -0.3810      0.00000
    115      -0.2545      0.00000
    116       0.0338      0.00000
    117       0.5495      0.00000
    118       0.6934      0.00000
    119       0.7406      0.00000
    120       1.0432      0.00000
    121       1.0935      0.00000
    122       1.1443      0.00000
    123       1.2220      0.00000
    124       1.3726      0.00000
    125       1.5168      0.00000
    126       1.5720      0.00000
    127       1.7098      0.00000
    128       1.8182      0.00000
    129       1.8537      0.00000
    130       1.8760      0.00000
    131       2.0926      0.00000
    132       2.1773      0.00000
    133       2.2350      0.00000
    134       2.2986      0.00000
    135       2.5055      0.00000
    136       2.5782      0.00000
    137       2.6520      0.00000
    138       2.7722      0.00000
    139       2.7934      0.00000
    140       2.8226      0.00000
    141       2.8721      0.00000
    142       2.8938      0.00000
    143       2.9507      0.00000
    144       3.0681      0.00000
    145       3.1463      0.00000
    146       3.3154      0.00000
    147       3.3955      0.00000
    148       3.4413      0.00000
    149       3.4652      0.00000
    150       3.6182      0.00000
    151       3.6462      0.00000
    152       3.6728      0.00000
    153       3.7156      0.00000
    154       3.9069      0.00000
    155       3.9552      0.00000
    156       4.0098      0.00000
    157       4.0625      0.00000
    158       4.2372      0.00000
    159       4.2483      0.00000
    160       4.2718      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2901      1.00000
      2     -22.0845      1.00000
      3     -21.7231      1.00000
      4     -21.6913      1.00000
      5     -20.9860      1.00000
      6     -20.9454      1.00000
      7     -20.6184      1.00000
      8     -20.5817      1.00000
      9     -20.5756      1.00000
     10     -20.0393      1.00000
     11     -19.5101      1.00000
     12     -19.4980      1.00000
     13     -19.3136      1.00000
     14     -19.3079      1.00000
     15     -18.4544      1.00000
     16     -18.4177      1.00000
     17     -17.9292      1.00000
     18     -17.9193      1.00000
     19     -17.7683      1.00000
     20     -17.7326      1.00000
     21     -17.4428      1.00000
     22     -17.4350      1.00000
     23     -17.3476      1.00000
     24     -16.4694      1.00000
     25     -16.4684      1.00000
     26     -15.9741      1.00000
     27     -15.4203      1.00000
     28     -15.4158      1.00000
     29     -15.1028      1.00000
     30     -15.1000      1.00000
     31     -14.8619      1.00000
     32     -14.8537      1.00000
     33     -14.2978      1.00000
     34     -14.2644      1.00000
     35     -13.4442      1.00000
     36     -13.4112      1.00000
     37     -13.1846      1.00000
     38     -13.1803      1.00000
     39     -12.9890      1.00000
     40     -12.9839      1.00000
     41     -12.6203      1.00000
     42     -12.6159      1.00000
     43     -12.2052      1.00000
     44     -11.5828      1.00000
     45     -11.5491      1.00000
     46     -11.3169      1.00000
     47     -11.2943      1.00000
     48     -11.1496      1.00000
     49     -10.6824      1.00000
     50     -10.6682      1.00000
     51     -10.5580      1.00000
     52     -10.3315      1.00000
     53     -10.3242      1.00000
     54     -10.1740      1.00000
     55     -10.1227      1.00000
     56     -10.1190      1.00000
     57      -9.8031      1.00000
     58      -9.7733      1.00000
     59      -9.7581      1.00000
     60      -9.7065      1.00000
     61      -9.7051      1.00000
     62      -9.6667      1.00000
     63      -9.3629      1.00000
     64      -9.3578      1.00000
     65      -9.3218      1.00000
     66      -9.0458      1.00000
     67      -8.9704      1.00000
     68      -8.9553      1.00000
     69      -8.8042      1.00000
     70      -8.6009      1.00000
     71      -8.5625      1.00000
     72      -8.4030      1.00000
     73      -8.3699      1.00000
     74      -8.3312      1.00000
     75      -8.3142      1.00000
     76      -8.2657      1.00000
     77      -8.2640      1.00000
     78      -8.2428      1.00000
     79      -7.9082      1.00000
     80      -7.6538      1.00000
     81      -7.5525      1.00000
     82      -7.3949      1.00000
     83      -7.3568      1.00000
     84      -7.2391      1.00000
     85      -7.1004      1.00000
     86      -7.0428      1.00000
     87      -6.9383      1.00000
     88      -6.8516      1.00000
     89      -6.6190      1.00000
     90      -6.5671      1.00000
     91      -6.2761      1.00000
     92      -6.0483      1.00000
     93      -5.9565      1.00000
     94      -5.6676      1.00000
     95      -5.6276      1.00000
     96      -5.4679      1.00000
     97      -5.3250      1.00000
     98      -5.2837      1.00000
     99      -5.2188      1.00000
    100      -5.1990      1.00000
    101      -4.5115      1.00000
    102      -4.2109      1.00000
    103      -4.0641      1.00000
    104      -3.9942      1.00000
    105      -3.6985      1.00000
    106      -3.5022      1.00000
    107      -1.9514      0.00000
    108      -1.9016      0.00000
    109      -1.3445      0.00000
    110      -1.0905      0.00000
    111      -1.0626      0.00000
    112      -0.8059      0.00000
    113      -0.6821      0.00000
    114      -0.6528      0.00000
    115      -0.6128      0.00000
    116      -0.1119      0.00000
    117       0.2098      0.00000
    118       0.3248      0.00000
    119       0.6880      0.00000
    120       0.8825      0.00000
    121       1.1218      0.00000
    122       1.1934      0.00000
    123       1.3208      0.00000
    124       1.4136      0.00000
    125       1.5476      0.00000
    126       1.5695      0.00000
    127       1.6697      0.00000
    128       1.8062      0.00000
    129       1.8749      0.00000
    130       2.0474      0.00000
    131       2.1344      0.00000
    132       2.3288      0.00000
    133       2.3610      0.00000
    134       2.3870      0.00000
    135       2.5357      0.00000
    136       2.6255      0.00000
    137       2.7225      0.00000
    138       2.7715      0.00000
    139       2.8399      0.00000
    140       2.8794      0.00000
    141       3.0425      0.00000
    142       3.0536      0.00000
    143       3.1545      0.00000
    144       3.2575      0.00000
    145       3.3522      0.00000
    146       3.4079      0.00000
    147       3.4254      0.00000
    148       3.5627      0.00000
    149       3.5806      0.00000
    150       3.5968      0.00000
    151       3.6536      0.00000
    152       3.6677      0.00000
    153       3.7742      0.00000
    154       3.8001      0.00000
    155       3.8191      0.00000
    156       3.8924      0.00000
    157       3.9131      0.00000
    158       3.9898      0.00000
    159       4.2065      0.00000
    160       4.2232      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3241      1.00000
      2     -21.9694      1.00000
      3     -21.9002      1.00000
      4     -21.3874      1.00000
      5     -21.3582      1.00000
      6     -20.8464      1.00000
      7     -20.7810      1.00000
      8     -20.6308      1.00000
      9     -20.0840      1.00000
     10     -20.0785      1.00000
     11     -19.7235      1.00000
     12     -19.6990      1.00000
     13     -19.0029      1.00000
     14     -18.9974      1.00000
     15     -18.6471      1.00000
     16     -18.6312      1.00000
     17     -18.4690      1.00000
     18     -17.6821      1.00000
     19     -17.6317      1.00000
     20     -17.6290      1.00000
     21     -17.5871      1.00000
     22     -17.1333      1.00000
     23     -17.1116      1.00000
     24     -16.9689      1.00000
     25     -16.0088      1.00000
     26     -15.9351      1.00000
     27     -15.5928      1.00000
     28     -15.5926      1.00000
     29     -15.2928      1.00000
     30     -14.8714      1.00000
     31     -14.8439      1.00000
     32     -14.5862      1.00000
     33     -14.5443      1.00000
     34     -14.1744      1.00000
     35     -14.1611      1.00000
     36     -13.1558      1.00000
     37     -13.1081      1.00000
     38     -13.0371      1.00000
     39     -13.0268      1.00000
     40     -12.7164      1.00000
     41     -12.7125      1.00000
     42     -12.3480      1.00000
     43     -12.3169      1.00000
     44     -11.6421      1.00000
     45     -11.6284      1.00000
     46     -11.5778      1.00000
     47     -10.9557      1.00000
     48     -10.9229      1.00000
     49     -10.6391      1.00000
     50     -10.6324      1.00000
     51     -10.5533      1.00000
     52     -10.5062      1.00000
     53     -10.5058      1.00000
     54     -10.4480      1.00000
     55     -10.3687      1.00000
     56     -10.1041      1.00000
     57      -9.9081      1.00000
     58      -9.6172      1.00000
     59      -9.5647      1.00000
     60      -9.4578      1.00000
     61      -9.4186      1.00000
     62      -9.4117      1.00000
     63      -9.3853      1.00000
     64      -9.3848      1.00000
     65      -9.2921      1.00000
     66      -9.1746      1.00000
     67      -9.1493      1.00000
     68      -9.1204      1.00000
     69      -8.8709      1.00000
     70      -8.8637      1.00000
     71      -8.8199      1.00000
     72      -8.6017      1.00000
     73      -8.4847      1.00000
     74      -8.2050      1.00000
     75      -8.1698      1.00000
     76      -8.0122      1.00000
     77      -7.9684      1.00000
     78      -7.8595      1.00000
     79      -7.8488      1.00000
     80      -7.7115      1.00000
     81      -7.7046      1.00000
     82      -7.6258      1.00000
     83      -7.4528      1.00000
     84      -7.3037      1.00000
     85      -7.2563      1.00000
     86      -6.9133      1.00000
     87      -6.8995      1.00000
     88      -6.5929      1.00000
     89      -6.5557      1.00000
     90      -6.4156      1.00000
     91      -6.2584      1.00000
     92      -6.2372      1.00000
     93      -6.2109      1.00000
     94      -6.0278      1.00000
     95      -5.5546      1.00000
     96      -5.4940      1.00000
     97      -5.3553      1.00000
     98      -5.2246      1.00000
     99      -4.9847      1.00000
    100      -4.7372      1.00000
    101      -4.6832      1.00000
    102      -4.3905      1.00000
    103      -4.2063      1.00000
    104      -3.8752      1.00000
    105      -3.5515      1.00000
    106      -3.5143      1.00000
    107      -2.2609      0.00000
    108      -1.4624      0.00000
    109      -1.3753      0.00000
    110      -1.2470      0.00000
    111      -1.1035      0.00000
    112      -0.9509      0.00000
    113      -0.8696      0.00000
    114      -0.8093      0.00000
    115      -0.1427      0.00000
    116       0.1071      0.00000
    117       0.2358      0.00000
    118       0.3730      0.00000
    119       0.6452      0.00000
    120       0.8305      0.00000
    121       0.9308      0.00000
    122       1.0583      0.00000
    123       1.2259      0.00000
    124       1.4436      0.00000
    125       1.5410      0.00000
    126       1.7599      0.00000
    127       1.7872      0.00000
    128       1.8726      0.00000
    129       1.9580      0.00000
    130       2.0448      0.00000
    131       2.1654      0.00000
    132       2.1948      0.00000
    133       2.4039      0.00000
    134       2.4748      0.00000
    135       2.5364      0.00000
    136       2.5983      0.00000
    137       2.6363      0.00000
    138       2.6879      0.00000
    139       2.7758      0.00000
    140       2.8255      0.00000
    141       2.9403      0.00000
    142       3.0781      0.00000
    143       3.1923      0.00000
    144       3.2199      0.00000
    145       3.2644      0.00000
    146       3.3264      0.00000
    147       3.3327      0.00000
    148       3.4608      0.00000
    149       3.4884      0.00000
    150       3.6912      0.00000
    151       3.7029      0.00000
    152       3.7199      0.00000
    153       3.8498      0.00000
    154       3.9119      0.00000
    155       3.9427      0.00000
    156       3.9720      0.00000
    157       4.0216      0.00000
    158       4.0272      0.00000
    159       4.0431      0.00000
    160       4.0752      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2170      1.00000
      2     -22.1241      1.00000
      3     -21.9634      1.00000
      4     -21.4110      1.00000
      5     -21.0564      1.00000
      6     -21.0205      1.00000
      7     -20.5074      1.00000
      8     -20.4678      1.00000
      9     -20.3016      1.00000
     10     -20.2824      1.00000
     11     -19.9641      1.00000
     12     -19.8984      1.00000
     13     -18.8891      1.00000
     14     -18.8204      1.00000
     15     -18.3597      1.00000
     16     -18.3135      1.00000
     17     -18.1598      1.00000
     18     -18.1426      1.00000
     19     -17.8335      1.00000
     20     -17.7961      1.00000
     21     -17.2586      1.00000
     22     -17.2485      1.00000
     23     -17.1715      1.00000
     24     -17.1397      1.00000
     25     -16.1174      1.00000
     26     -15.8918      1.00000
     27     -15.8772      1.00000
     28     -15.8408      1.00000
     29     -15.2433      1.00000
     30     -14.5618      1.00000
     31     -14.5339      1.00000
     32     -14.2870      1.00000
     33     -13.9713      1.00000
     34     -13.9637      1.00000
     35     -13.8276      1.00000
     36     -13.8119      1.00000
     37     -13.6214      1.00000
     38     -13.5777      1.00000
     39     -13.3770      1.00000
     40     -12.6418      1.00000
     41     -12.1878      1.00000
     42     -12.1399      1.00000
     43     -12.0786      1.00000
     44     -12.0265      1.00000
     45     -11.6774      1.00000
     46     -11.6639      1.00000
     47     -11.1458      1.00000
     48     -11.1254      1.00000
     49     -10.8011      1.00000
     50     -10.7377      1.00000
     51     -10.5336      1.00000
     52     -10.2172      1.00000
     53     -10.2122      1.00000
     54     -10.1693      1.00000
     55     -10.0255      1.00000
     56     -10.0098      1.00000
     57      -9.9972      1.00000
     58      -9.8089      1.00000
     59      -9.8051      1.00000
     60      -9.7698      1.00000
     61      -9.7648      1.00000
     62      -9.4609      1.00000
     63      -9.4222      1.00000
     64      -9.0857      1.00000
     65      -9.0804      1.00000
     66      -9.0477      1.00000
     67      -8.9619      1.00000
     68      -8.8820      1.00000
     69      -8.7199      1.00000
     70      -8.7074      1.00000
     71      -8.5722      1.00000
     72      -8.5496      1.00000
     73      -8.5043      1.00000
     74      -8.4709      1.00000
     75      -8.4591      1.00000
     76      -8.2651      1.00000
     77      -8.1299      1.00000
     78      -8.0482      1.00000
     79      -7.9237      1.00000
     80      -7.8673      1.00000
     81      -7.6191      1.00000
     82      -7.5539      1.00000
     83      -7.4928      1.00000
     84      -7.2701      1.00000
     85      -7.0036      1.00000
     86      -6.9310      1.00000
     87      -6.8904      1.00000
     88      -6.5391      1.00000
     89      -6.4937      1.00000
     90      -6.4657      1.00000
     91      -6.4150      1.00000
     92      -5.9884      1.00000
     93      -5.9024      1.00000
     94      -5.7894      1.00000
     95      -5.7645      1.00000
     96      -5.4368      1.00000
     97      -5.3344      1.00000
     98      -5.2351      1.00000
     99      -5.2227      1.00000
    100      -5.1936      1.00000
    101      -4.6970      1.00000
    102      -4.4244      1.00000
    103      -4.2128      1.00000
    104      -3.8381      1.00000
    105      -3.5336      1.00000
    106      -3.2794      1.00000
    107      -2.5362      0.00000
    108      -1.4637      0.00000
    109      -1.2713      0.00000
    110      -1.2082      0.00000
    111      -1.1776      0.00000
    112      -0.7250      0.00000
    113      -0.5092      0.00000
    114      -0.4175      0.00000
    115      -0.3444      0.00000
    116      -0.1512      0.00000
    117      -0.0088      0.00000
    118       0.1903      0.00000
    119       0.5570      0.00000
    120       0.6069      0.00000
    121       0.7906      0.00000
    122       0.9006      0.00000
    123       1.1259      0.00000
    124       1.4850      0.00000
    125       1.6308      0.00000
    126       1.8404      0.00000
    127       1.9199      0.00000
    128       2.0965      0.00000
    129       2.1075      0.00000
    130       2.1664      0.00000
    131       2.1917      0.00000
    132       2.2738      0.00000
    133       2.3446      0.00000
    134       2.4745      0.00000
    135       2.5799      0.00000
    136       2.6503      0.00000
    137       2.8458      0.00000
    138       2.8646      0.00000
    139       2.8857      0.00000
    140       3.0180      0.00000
    141       3.0228      0.00000
    142       3.1326      0.00000
    143       3.1925      0.00000
    144       3.2318      0.00000
    145       3.2704      0.00000
    146       3.2768      0.00000
    147       3.2936      0.00000
    148       3.3399      0.00000
    149       3.4150      0.00000
    150       3.4373      0.00000
    151       3.5439      0.00000
    152       3.6193      0.00000
    153       3.7206      0.00000
    154       3.7397      0.00000
    155       3.7628      0.00000
    156       3.8882      0.00000
    157       3.9396      0.00000
    158       3.9992      0.00000
    159       4.1185      0.00000
    160       4.2133      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3239      1.00000
      2     -21.9709      1.00000
      3     -21.8988      1.00000
      4     -21.3912      1.00000
      5     -21.3548      1.00000
      6     -20.8460      1.00000
      7     -20.7796      1.00000
      8     -20.6315      1.00000
      9     -20.0962      1.00000
     10     -20.0675      1.00000
     11     -19.7251      1.00000
     12     -19.6962      1.00000
     13     -19.0165      1.00000
     14     -18.9854      1.00000
     15     -18.6565      1.00000
     16     -18.6239      1.00000
     17     -18.4672      1.00000
     18     -17.6673      1.00000
     19     -17.6532      1.00000
     20     -17.6172      1.00000
     21     -17.5847      1.00000
     22     -17.1440      1.00000
     23     -17.1041      1.00000
     24     -16.9725      1.00000
     25     -16.0149      1.00000
     26     -15.9303      1.00000
     27     -15.6054      1.00000
     28     -15.5820      1.00000
     29     -15.2870      1.00000
     30     -14.8834      1.00000
     31     -14.8365      1.00000
     32     -14.5813      1.00000
     33     -14.5437      1.00000
     34     -14.1711      1.00000
     35     -14.1670      1.00000
     36     -13.1690      1.00000
     37     -13.1024      1.00000
     38     -13.0297      1.00000
     39     -13.0253      1.00000
     40     -12.7246      1.00000
     41     -12.7014      1.00000
     42     -12.3477      1.00000
     43     -12.3205      1.00000
     44     -11.6390      1.00000
     45     -11.6299      1.00000
     46     -11.5775      1.00000
     47     -10.9481      1.00000
     48     -10.9301      1.00000
     49     -10.6753      1.00000
     50     -10.5965      1.00000
     51     -10.5788      1.00000
     52     -10.5086      1.00000
     53     -10.4954      1.00000
     54     -10.4455      1.00000
     55     -10.3626      1.00000
     56     -10.1084      1.00000
     57      -9.9024      1.00000
     58      -9.6150      1.00000
     59      -9.5580      1.00000
     60      -9.4594      1.00000
     61      -9.4263      1.00000
     62      -9.4159      1.00000
     63      -9.3859      1.00000
     64      -9.3785      1.00000
     65      -9.2722      1.00000
     66      -9.1729      1.00000
     67      -9.1487      1.00000
     68      -9.1235      1.00000
     69      -8.8735      1.00000
     70      -8.8674      1.00000
     71      -8.8070      1.00000
     72      -8.6012      1.00000
     73      -8.5312      1.00000
     74      -8.2008      1.00000
     75      -8.1777      1.00000
     76      -8.0797      1.00000
     77      -7.8635      1.00000
     78      -7.8434      1.00000
     79      -7.8292      1.00000
     80      -7.7174      1.00000
     81      -7.7030      1.00000
     82      -7.6009      1.00000
     83      -7.5333      1.00000
     84      -7.3545      1.00000
     85      -7.1701      1.00000
     86      -6.9131      1.00000
     87      -6.9027      1.00000
     88      -6.5971      1.00000
     89      -6.5557      1.00000
     90      -6.4126      1.00000
     91      -6.3069      1.00000
     92      -6.2523      1.00000
     93      -6.2091      1.00000
     94      -6.0087      1.00000
     95      -5.5367      1.00000
     96      -5.4703      1.00000
     97      -5.3189      1.00000
     98      -5.2146      1.00000
     99      -5.0518      1.00000
    100      -4.7284      1.00000
    101      -4.6767      1.00000
    102      -4.4270      1.00000
    103      -4.1980      1.00000
    104      -3.8469      1.00000
    105      -3.6392      1.00000
    106      -3.4204      1.00000
    107      -2.2984      0.00000
    108      -1.5150      0.00000
    109      -1.2755      0.00000
    110      -1.2678      0.00000
    111      -1.0396      0.00000
    112      -0.9818      0.00000
    113      -0.8734      0.00000
    114      -0.8050      0.00000
    115      -0.2652      0.00000
    116       0.1983      0.00000
    117       0.2340      0.00000
    118       0.3556      0.00000
    119       0.6843      0.00000
    120       0.8886      0.00000
    121       0.9182      0.00000
    122       1.0355      0.00000
    123       1.1613      0.00000
    124       1.5037      0.00000
    125       1.5509      0.00000
    126       1.7031      0.00000
    127       1.7731      0.00000
    128       1.8293      0.00000
    129       1.9618      0.00000
    130       1.9786      0.00000
    131       2.1869      0.00000
    132       2.2512      0.00000
    133       2.4052      0.00000
    134       2.4809      0.00000
    135       2.5385      0.00000
    136       2.5936      0.00000
    137       2.6123      0.00000
    138       2.6910      0.00000
    139       2.7560      0.00000
    140       2.8547      0.00000
    141       3.0279      0.00000
    142       3.0760      0.00000
    143       3.1906      0.00000
    144       3.2494      0.00000
    145       3.2674      0.00000
    146       3.2993      0.00000
    147       3.3557      0.00000
    148       3.4445      0.00000
    149       3.5107      0.00000
    150       3.6847      0.00000
    151       3.7102      0.00000
    152       3.7407      0.00000
    153       3.8234      0.00000
    154       3.8919      0.00000
    155       3.9272      0.00000
    156       3.9739      0.00000
    157       4.0025      0.00000
    158       4.0417      0.00000
    159       4.0533      0.00000
    160       4.0937      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3960      1.00000
      2     -21.8372      1.00000
      3     -21.6480      1.00000
      4     -21.6130      1.00000
      5     -21.2853      1.00000
      6     -21.2384      1.00000
      7     -21.0629      1.00000
      8     -20.1779      1.00000
      9     -20.1319      1.00000
     10     -19.6240      1.00000
     11     -19.5971      1.00000
     12     -19.4221      1.00000
     13     -19.1013      1.00000
     14     -19.0628      1.00000
     15     -19.0583      1.00000
     16     -19.0450      1.00000
     17     -18.3738      1.00000
     18     -18.3534      1.00000
     19     -18.0231      1.00000
     20     -17.0789      1.00000
     21     -17.0302      1.00000
     22     -16.9564      1.00000
     23     -16.9423      1.00000
     24     -16.4813      1.00000
     25     -16.4700      1.00000
     26     -15.6167      1.00000
     27     -15.6163      1.00000
     28     -15.2573      1.00000
     29     -15.2444      1.00000
     30     -15.1974      1.00000
     31     -15.1076      1.00000
     32     -15.0741      1.00000
     33     -14.7058      1.00000
     34     -14.7042      1.00000
     35     -13.7325      1.00000
     36     -13.7318      1.00000
     37     -13.2412      1.00000
     38     -12.6308      1.00000
     39     -12.5861      1.00000
     40     -12.4612      1.00000
     41     -12.4555      1.00000
     42     -12.1130      1.00000
     43     -12.1073      1.00000
     44     -11.7294      1.00000
     45     -11.6909      1.00000
     46     -11.2526      1.00000
     47     -11.2314      1.00000
     48     -11.0241      1.00000
     49     -11.0121      1.00000
     50     -10.9353      1.00000
     51     -10.9068      1.00000
     52     -10.6417      1.00000
     53     -10.1783      1.00000
     54     -10.1558      1.00000
     55     -10.0904      1.00000
     56      -9.9968      1.00000
     57      -9.7032      1.00000
     58      -9.6967      1.00000
     59      -9.6753      1.00000
     60      -9.5983      1.00000
     61      -9.5752      1.00000
     62      -9.5588      1.00000
     63      -9.3187      1.00000
     64      -9.3065      1.00000
     65      -9.2882      1.00000
     66      -9.2514      1.00000
     67      -9.1272      1.00000
     68      -9.1188      1.00000
     69      -9.1171      1.00000
     70      -8.9442      1.00000
     71      -8.8838      1.00000
     72      -8.6126      1.00000
     73      -8.5946      1.00000
     74      -8.2744      1.00000
     75      -8.1070      1.00000
     76      -7.8762      1.00000
     77      -7.8483      1.00000
     78      -7.7945      1.00000
     79      -7.7705      1.00000
     80      -7.7621      1.00000
     81      -7.4502      1.00000
     82      -7.3413      1.00000
     83      -7.3290      1.00000
     84      -7.2707      1.00000
     85      -7.1664      1.00000
     86      -7.0238      1.00000
     87      -6.9901      1.00000
     88      -6.7223      1.00000
     89      -6.6948      1.00000
     90      -6.6365      1.00000
     91      -6.5944      1.00000
     92      -6.1231      1.00000
     93      -6.0658      1.00000
     94      -6.0494      1.00000
     95      -6.0359      1.00000
     96      -5.7529      1.00000
     97      -4.9792      1.00000
     98      -4.8447      1.00000
     99      -4.7140      1.00000
    100      -4.6789      1.00000
    101      -4.4873      1.00000
    102      -4.3564      1.00000
    103      -4.1160      1.00000
    104      -4.0599      1.00000
    105      -3.7588      1.00000
    106      -3.4695      1.00000
    107      -1.9571      0.00000
    108      -1.7766      0.00000
    109      -1.4852      0.00000
    110      -1.3610      0.00000
    111      -1.3409      0.00000
    112      -1.2971      0.00000
    113      -0.6826      0.00000
    114      -0.4763      0.00000
    115      -0.2417      0.00000
    116       0.0482      0.00000
    117       0.5806      0.00000
    118       0.6861      0.00000
    119       0.7647      0.00000
    120       1.0182      0.00000
    121       1.0915      0.00000
    122       1.1714      0.00000
    123       1.2471      0.00000
    124       1.3291      0.00000
    125       1.4256      0.00000
    126       1.5877      0.00000
    127       1.7669      0.00000
    128       1.8355      0.00000
    129       1.8559      0.00000
    130       1.8806      0.00000
    131       2.0463      0.00000
    132       2.2102      0.00000
    133       2.2217      0.00000
    134       2.2763      0.00000
    135       2.4744      0.00000
    136       2.6093      0.00000
    137       2.6521      0.00000
    138       2.7397      0.00000
    139       2.7960      0.00000
    140       2.8299      0.00000
    141       2.8409      0.00000
    142       2.8857      0.00000
    143       2.9558      0.00000
    144       3.0714      0.00000
    145       3.3116      0.00000
    146       3.3579      0.00000
    147       3.4130      0.00000
    148       3.4247      0.00000
    149       3.4247      0.00000
    150       3.6023      0.00000
    151       3.6576      0.00000
    152       3.6741      0.00000
    153       3.7264      0.00000
    154       3.8916      0.00000
    155       3.9192      0.00000
    156       3.9532      0.00000
    157       4.1026      0.00000
    158       4.2017      0.00000
    159       4.2555      0.00000
    160       4.2787      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2161      1.00000
      2     -22.1254      1.00000
      3     -21.9631      1.00000
      4     -21.4112      1.00000
      5     -21.0525      1.00000
      6     -21.0242      1.00000
      7     -20.5024      1.00000
      8     -20.4727      1.00000
      9     -20.2926      1.00000
     10     -20.2907      1.00000
     11     -19.9633      1.00000
     12     -19.9002      1.00000
     13     -18.8901      1.00000
     14     -18.8225      1.00000
     15     -18.3443      1.00000
     16     -18.3248      1.00000
     17     -18.1558      1.00000
     18     -18.1481      1.00000
     19     -17.8224      1.00000
     20     -17.8040      1.00000
     21     -17.2647      1.00000
     22     -17.2452      1.00000
     23     -17.1670      1.00000
     24     -17.1423      1.00000
     25     -16.1220      1.00000
     26     -15.8878      1.00000
     27     -15.8766      1.00000
     28     -15.8470      1.00000
     29     -15.2380      1.00000
     30     -14.5581      1.00000
     31     -14.5398      1.00000
     32     -14.2829      1.00000
     33     -13.9811      1.00000
     34     -13.9573      1.00000
     35     -13.8308      1.00000
     36     -13.8089      1.00000
     37     -13.6113      1.00000
     38     -13.5858      1.00000
     39     -13.3766      1.00000
     40     -12.6448      1.00000
     41     -12.1763      1.00000
     42     -12.1498      1.00000
     43     -12.0756      1.00000
     44     -12.0287      1.00000
     45     -11.6707      1.00000
     46     -11.6662      1.00000
     47     -11.1440      1.00000
     48     -11.1332      1.00000
     49     -10.7984      1.00000
     50     -10.7422      1.00000
     51     -10.5404      1.00000
     52     -10.2146      1.00000
     53     -10.2087      1.00000
     54     -10.1750      1.00000
     55     -10.0289      1.00000
     56      -9.9990      1.00000
     57      -9.9966      1.00000
     58      -9.8117      1.00000
     59      -9.8024      1.00000
     60      -9.7712      1.00000
     61      -9.7639      1.00000
     62      -9.4627      1.00000
     63      -9.4220      1.00000
     64      -9.0908      1.00000
     65      -9.0524      1.00000
     66      -9.0303      1.00000
     67      -8.9779      1.00000
     68      -8.9028      1.00000
     69      -8.7146      1.00000
     70      -8.7057      1.00000
     71      -8.5684      1.00000
     72      -8.5578      1.00000
     73      -8.4829      1.00000
     74      -8.4669      1.00000
     75      -8.4631      1.00000
     76      -8.3132      1.00000
     77      -8.0997      1.00000
     78      -8.0938      1.00000
     79      -7.9322      1.00000
     80      -7.8358      1.00000
     81      -7.6056      1.00000
     82      -7.5457      1.00000
     83      -7.4453      1.00000
     84      -7.3161      1.00000
     85      -6.9995      1.00000
     86      -6.9252      1.00000
     87      -6.8879      1.00000
     88      -6.5366      1.00000
     89      -6.5206      1.00000
     90      -6.4882      1.00000
     91      -6.4254      1.00000
     92      -5.9316      1.00000
     93      -5.9101      1.00000
     94      -5.7939      1.00000
     95      -5.7796      1.00000
     96      -5.3744      1.00000
     97      -5.3676      1.00000
     98      -5.2257      1.00000
     99      -5.2205      1.00000
    100      -5.2036      1.00000
    101      -4.7252      1.00000
    102      -4.4452      1.00000
    103      -4.1942      1.00000
    104      -3.8243      1.00000
    105      -3.5701      1.00000
    106      -3.2259      1.00000
    107      -2.5685      0.00000
    108      -1.4689      0.00000
    109      -1.2710      0.00000
    110      -1.1912      0.00000
    111      -1.1894      0.00000
    112      -0.6498      0.00000
    113      -0.5566      0.00000
    114      -0.4205      0.00000
    115      -0.3530      0.00000
    116      -0.0821      0.00000
    117      -0.0681      0.00000
    118       0.1223      0.00000
    119       0.5869      0.00000
    120       0.6209      0.00000
    121       0.8491      0.00000
    122       0.9781      0.00000
    123       0.9985      0.00000
    124       1.4896      0.00000
    125       1.6794      0.00000
    126       1.7518      0.00000
    127       1.8504      0.00000
    128       2.1023      0.00000
    129       2.1610      0.00000
    130       2.1923      0.00000
    131       2.2036      0.00000
    132       2.2543      0.00000
    133       2.3570      0.00000
    134       2.4869      0.00000
    135       2.5218      0.00000
    136       2.6557      0.00000
    137       2.8469      0.00000
    138       2.8537      0.00000
    139       2.9469      0.00000
    140       3.0064      0.00000
    141       3.0352      0.00000
    142       3.1280      0.00000
    143       3.2066      0.00000
    144       3.2368      0.00000
    145       3.2500      0.00000
    146       3.2749      0.00000
    147       3.2963      0.00000
    148       3.3477      0.00000
    149       3.4117      0.00000
    150       3.5418      0.00000
    151       3.5585      0.00000
    152       3.6375      0.00000
    153       3.6587      0.00000
    154       3.7162      0.00000
    155       3.7367      0.00000
    156       3.8898      0.00000
    157       3.9605      0.00000
    158       4.0289      0.00000
    159       4.0640      0.00000
    160       4.1738      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2897      1.00000
      2     -22.0850      1.00000
      3     -21.7268      1.00000
      4     -21.6876      1.00000
      5     -20.9893      1.00000
      6     -20.9416      1.00000
      7     -20.6177      1.00000
      8     -20.5857      1.00000
      9     -20.5721      1.00000
     10     -20.0387      1.00000
     11     -19.5204      1.00000
     12     -19.4897      1.00000
     13     -19.3184      1.00000
     14     -19.3047      1.00000
     15     -18.4561      1.00000
     16     -18.4130      1.00000
     17     -17.9345      1.00000
     18     -17.9136      1.00000
     19     -17.7724      1.00000
     20     -17.7275      1.00000
     21     -17.4485      1.00000
     22     -17.4295      1.00000
     23     -17.3448      1.00000
     24     -16.4775      1.00000
     25     -16.4679      1.00000
     26     -15.9760      1.00000
     27     -15.4183      1.00000
     28     -15.4170      1.00000
     29     -15.1029      1.00000
     30     -15.1003      1.00000
     31     -14.8606      1.00000
     32     -14.8474      1.00000
     33     -14.3041      1.00000
     34     -14.2599      1.00000
     35     -13.4506      1.00000
     36     -13.4063      1.00000
     37     -13.1827      1.00000
     38     -13.1806      1.00000
     39     -12.9919      1.00000
     40     -12.9827      1.00000
     41     -12.6184      1.00000
     42     -12.6156      1.00000
     43     -12.2027      1.00000
     44     -11.5874      1.00000
     45     -11.5463      1.00000
     46     -11.3212      1.00000
     47     -11.2909      1.00000
     48     -11.1479      1.00000
     49     -10.6996      1.00000
     50     -10.6700      1.00000
     51     -10.5522      1.00000
     52     -10.3287      1.00000
     53     -10.3208      1.00000
     54     -10.1803      1.00000
     55     -10.1285      1.00000
     56     -10.1154      1.00000
     57      -9.8164      1.00000
     58      -9.7588      1.00000
     59      -9.7580      1.00000
     60      -9.7083      1.00000
     61      -9.7049      1.00000
     62      -9.6513      1.00000
     63      -9.3589      1.00000
     64      -9.3577      1.00000
     65      -9.3263      1.00000
     66      -9.0324      1.00000
     67      -8.9682      1.00000
     68      -8.9645      1.00000
     69      -8.7800      1.00000
     70      -8.6003      1.00000
     71      -8.5926      1.00000
     72      -8.4284      1.00000
     73      -8.3545      1.00000
     74      -8.3298      1.00000
     75      -8.3094      1.00000
     76      -8.2732      1.00000
     77      -8.2625      1.00000
     78      -8.2474      1.00000
     79      -7.9248      1.00000
     80      -7.7369      1.00000
     81      -7.3856      1.00000
     82      -7.3555      1.00000
     83      -7.3260      1.00000
     84      -7.2225      1.00000
     85      -7.1648      1.00000
     86      -7.0691      1.00000
     87      -6.9653      1.00000
     88      -6.9092      1.00000
     89      -6.6226      1.00000
     90      -6.5622      1.00000
     91      -6.2803      1.00000
     92      -6.0009      1.00000
     93      -5.9645      1.00000
     94      -5.6800      1.00000
     95      -5.6535      1.00000
     96      -5.3919      1.00000
     97      -5.3204      1.00000
     98      -5.2990      1.00000
     99      -5.2169      1.00000
    100      -5.2053      1.00000
    101      -4.5146      1.00000
    102      -4.3427      1.00000
    103      -4.0009      1.00000
    104      -3.8904      1.00000
    105      -3.7969      1.00000
    106      -3.4473      1.00000
    107      -2.0411      0.00000
    108      -1.8688      0.00000
    109      -1.2230      0.00000
    110      -1.1879      0.00000
    111      -1.0417      0.00000
    112      -0.7778      0.00000
    113      -0.6824      0.00000
    114      -0.6657      0.00000
    115      -0.6146      0.00000
    116      -0.1050      0.00000
    117       0.2174      0.00000
    118       0.2357      0.00000
    119       0.7626      0.00000
    120       0.9773      0.00000
    121       1.0694      0.00000
    122       1.2352      0.00000
    123       1.2457      0.00000
    124       1.3364      0.00000
    125       1.5702      0.00000
    126       1.5781      0.00000
    127       1.6912      0.00000
    128       1.7952      0.00000
    129       1.9367      0.00000
    130       1.9494      0.00000
    131       2.0976      0.00000
    132       2.3023      0.00000
    133       2.3392      0.00000
    134       2.4081      0.00000
    135       2.5335      0.00000
    136       2.6234      0.00000
    137       2.7812      0.00000
    138       2.8355      0.00000
    139       2.8428      0.00000
    140       2.8654      0.00000
    141       3.0454      0.00000
    142       3.0922      0.00000
    143       3.1414      0.00000
    144       3.2152      0.00000
    145       3.3682      0.00000
    146       3.4071      0.00000
    147       3.4978      0.00000
    148       3.5438      0.00000
    149       3.5835      0.00000
    150       3.6078      0.00000
    151       3.6414      0.00000
    152       3.7279      0.00000
    153       3.7365      0.00000
    154       3.7797      0.00000
    155       3.8299      0.00000
    156       3.8757      0.00000
    157       4.0160      0.00000
    158       4.0802      0.00000
    159       4.1607      0.00000
    160       4.2005      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4328      1.00000
      2     -21.6096      1.00000
      3     -21.4879      1.00000
      4     -21.4789      1.00000
      5     -21.4473      1.00000
      6     -21.4466      1.00000
      7     -21.4363      1.00000
      8     -19.7142      1.00000
      9     -19.6590      1.00000
     10     -19.6357      1.00000
     11     -19.6251      1.00000
     12     -19.6200      1.00000
     13     -19.6182      1.00000
     14     -18.7969      1.00000
     15     -18.7609      1.00000
     16     -18.7411      1.00000
     17     -18.7317      1.00000
     18     -18.7243      1.00000
     19     -18.7200      1.00000
     20     -16.6412      1.00000
     21     -16.6156      1.00000
     22     -16.5916      1.00000
     23     -16.5882      1.00000
     24     -16.5610      1.00000
     25     -16.5595      1.00000
     26     -15.6205      1.00000
     27     -15.6099      1.00000
     28     -15.6060      1.00000
     29     -15.5713      1.00000
     30     -15.5698      1.00000
     31     -15.5670      1.00000
     32     -14.2661      1.00000
     33     -14.2568      1.00000
     34     -14.2480      1.00000
     35     -14.2432      1.00000
     36     -14.2285      1.00000
     37     -14.2261      1.00000
     38     -11.9128      1.00000
     39     -11.8862      1.00000
     40     -11.8760      1.00000
     41     -11.8717      1.00000
     42     -11.8513      1.00000
     43     -11.8513      1.00000
     44     -11.7776      1.00000
     45     -11.7758      1.00000
     46     -11.7417      1.00000
     47     -11.7355      1.00000
     48     -11.7327      1.00000
     49     -11.7289      1.00000
     50     -10.6807      1.00000
     51     -10.3947      1.00000
     52     -10.3912      1.00000
     53     -10.3839      1.00000
     54     -10.3748      1.00000
     55     -10.3632      1.00000
     56     -10.3603      1.00000
     57      -9.9085      1.00000
     58      -9.4551      1.00000
     59      -9.4101      1.00000
     60      -9.3670      1.00000
     61      -9.3664      1.00000
     62      -9.3585      1.00000
     63      -9.1488      1.00000
     64      -9.1307      1.00000
     65      -9.1278      1.00000
     66      -9.0928      1.00000
     67      -9.0783      1.00000
     68      -9.0774      1.00000
     69      -9.0763      1.00000
     70      -9.0720      1.00000
     71      -9.0715      1.00000
     72      -9.0454      1.00000
     73      -9.0351      1.00000
     74      -9.0334      1.00000
     75      -8.1320      1.00000
     76      -7.7495      1.00000
     77      -7.4773      1.00000
     78      -7.4730      1.00000
     79      -7.4609      1.00000
     80      -7.4417      1.00000
     81      -7.4314      1.00000
     82      -7.4129      1.00000
     83      -7.3174      1.00000
     84      -7.2760      1.00000
     85      -7.2622      1.00000
     86      -7.2533      1.00000
     87      -7.1530      1.00000
     88      -7.0520      1.00000
     89      -6.4505      1.00000
     90      -6.4205      1.00000
     91      -6.4050      1.00000
     92      -6.3683      1.00000
     93      -6.3579      1.00000
     94      -6.3447      1.00000
     95      -5.9677      1.00000
     96      -5.9638      1.00000
     97      -4.8103      1.00000
     98      -4.5497      1.00000
     99      -4.4864      1.00000
    100      -4.4794      1.00000
    101      -4.3876      1.00000
    102      -4.3869      1.00000
    103      -4.2709      1.00000
    104      -4.1908      1.00000
    105      -3.7431      1.00000
    106      -3.4817      1.00000
    107      -1.8685      0.00000
    108      -1.6753      0.00000
    109      -1.6289      0.00000
    110      -1.5966      0.00000
    111      -1.5811      0.00000
    112      -1.5803      0.00000
    113      -0.4322      0.00000
    114       0.1417      0.00000
    115       0.1858      0.00000
    116       0.2492      0.00000
    117       0.2625      0.00000
    118       0.2658      0.00000
    119       0.4737      0.00000
    120       0.5406      0.00000
    121       1.2439      0.00000
    122       1.2877      0.00000
    123       1.5253      0.00000
    124       1.7644      0.00000
    125       1.7672      0.00000
    126       1.7673      0.00000
    127       1.8114      0.00000
    128       1.8228      0.00000
    129       1.9515      0.00000
    130       1.9621      0.00000
    131       1.9689      0.00000
    132       1.9832      0.00000
    133       1.9904      0.00000
    134       2.0703      0.00000
    135       2.2391      0.00000
    136       2.3444      0.00000
    137       2.5962      0.00000
    138       2.5986      0.00000
    139       2.6226      0.00000
    140       2.7076      0.00000
    141       2.9318      0.00000
    142       3.0547      0.00000
    143       3.0765      0.00000
    144       3.1056      0.00000
    145       3.1126      0.00000
    146       3.1161      0.00000
    147       3.1206      0.00000
    148       3.2719      0.00000
    149       3.4516      0.00000
    150       3.5014      0.00000
    151       3.8261      0.00000
    152       3.9595      0.00000
    153       3.9599      0.00000
    154       3.9632      0.00000
    155       3.9690      0.00000
    156       3.9946      0.00000
    157       4.1841      0.00000
    158       4.2571      0.00000
    159       4.2711      0.00000
    160       4.2787      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3961      1.00000
      2     -21.8370      1.00000
      3     -21.6447      1.00000
      4     -21.6169      1.00000
      5     -21.2811      1.00000
      6     -21.2418      1.00000
      7     -21.0634      1.00000
      8     -20.1743      1.00000
      9     -20.1361      1.00000
     10     -19.6152      1.00000
     11     -19.6038      1.00000
     12     -19.4239      1.00000
     13     -19.0962      1.00000
     14     -19.0668      1.00000
     15     -19.0556      1.00000
     16     -19.0477      1.00000
     17     -18.3674      1.00000
     18     -18.3586      1.00000
     19     -18.0258      1.00000
     20     -17.0758      1.00000
     21     -17.0372      1.00000
     22     -16.9507      1.00000
     23     -16.9467      1.00000
     24     -16.4745      1.00000
     25     -16.4701      1.00000
     26     -15.6198      1.00000
     27     -15.6145      1.00000
     28     -15.2591      1.00000
     29     -15.2501      1.00000
     30     -15.1919      1.00000
     31     -15.1054      1.00000
     32     -15.0779      1.00000
     33     -14.7053      1.00000
     34     -14.7028      1.00000
     35     -13.7335      1.00000
     36     -13.7301      1.00000
     37     -13.2431      1.00000
     38     -12.6218      1.00000
     39     -12.5911      1.00000
     40     -12.4617      1.00000
     41     -12.4573      1.00000
     42     -12.1164      1.00000
     43     -12.1109      1.00000
     44     -11.7235      1.00000
     45     -11.6927      1.00000
     46     -11.2419      1.00000
     47     -11.2333      1.00000
     48     -11.0251      1.00000
     49     -11.0168      1.00000
     50     -10.9329      1.00000
     51     -10.9119      1.00000
     52     -10.6357      1.00000
     53     -10.1628      1.00000
     54     -10.1578      1.00000
     55     -10.0993      1.00000
     56     -10.0035      1.00000
     57      -9.7085      1.00000
     58      -9.7029      1.00000
     59      -9.6608      1.00000
     60      -9.5981      1.00000
     61      -9.5825      1.00000
     62      -9.5650      1.00000
     63      -9.3150      1.00000
     64      -9.3102      1.00000
     65      -9.2789      1.00000
     66      -9.2427      1.00000
     67      -9.1414      1.00000
     68      -9.1236      1.00000
     69      -9.1177      1.00000
     70      -8.9443      1.00000
     71      -8.8785      1.00000
     72      -8.6107      1.00000
     73      -8.5979      1.00000
     74      -8.2398      1.00000
     75      -8.1085      1.00000
     76      -7.9178      1.00000
     77      -7.8702      1.00000
     78      -7.7799      1.00000
     79      -7.7637      1.00000
     80      -7.6951      1.00000
     81      -7.5641      1.00000
     82      -7.3474      1.00000
     83      -7.3298      1.00000
     84      -7.2087      1.00000
     85      -7.1271      1.00000
     86      -7.0359      1.00000
     87      -7.0187      1.00000
     88      -6.7093      1.00000
     89      -6.6821      1.00000
     90      -6.6455      1.00000
     91      -6.6020      1.00000
     92      -6.1244      1.00000
     93      -6.0675      1.00000
     94      -6.0371      1.00000
     95      -6.0161      1.00000
     96      -5.7881      1.00000
     97      -4.9790      1.00000
     98      -4.8373      1.00000
     99      -4.7520      1.00000
    100      -4.6846      1.00000
    101      -4.4723      1.00000
    102      -4.2068      1.00000
    103      -4.1771      1.00000
    104      -4.1326      1.00000
    105      -3.7335      1.00000
    106      -3.4920      1.00000
    107      -1.8762      0.00000
    108      -1.8136      0.00000
    109      -1.5300      0.00000
    110      -1.3819      0.00000
    111      -1.3273      0.00000
    112      -1.2934      0.00000
    113      -0.7254      0.00000
    114      -0.3810      0.00000
    115      -0.2545      0.00000
    116       0.0338      0.00000
    117       0.5495      0.00000
    118       0.6934      0.00000
    119       0.7406      0.00000
    120       1.0432      0.00000
    121       1.0935      0.00000
    122       1.1443      0.00000
    123       1.2220      0.00000
    124       1.3726      0.00000
    125       1.5168      0.00000
    126       1.5720      0.00000
    127       1.7098      0.00000
    128       1.8181      0.00000
    129       1.8536      0.00000
    130       1.8760      0.00000
    131       2.0926      0.00000
    132       2.1773      0.00000
    133       2.2350      0.00000
    134       2.2986      0.00000
    135       2.5056      0.00000
    136       2.5782      0.00000
    137       2.6520      0.00000
    138       2.7722      0.00000
    139       2.7934      0.00000
    140       2.8226      0.00000
    141       2.8721      0.00000
    142       2.8938      0.00000
    143       2.9507      0.00000
    144       3.0681      0.00000
    145       3.1463      0.00000
    146       3.3154      0.00000
    147       3.3954      0.00000
    148       3.4413      0.00000
    149       3.4653      0.00000
    150       3.6182      0.00000
    151       3.6462      0.00000
    152       3.6728      0.00000
    153       3.7156      0.00000
    154       3.9069      0.00000
    155       3.9552      0.00000
    156       4.0098      0.00000
    157       4.0624      0.00000
    158       4.2372      0.00000
    159       4.2483      0.00000
    160       4.2718      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2901      1.00000
      2     -22.0845      1.00000
      3     -21.7231      1.00000
      4     -21.6913      1.00000
      5     -20.9860      1.00000
      6     -20.9454      1.00000
      7     -20.6184      1.00000
      8     -20.5817      1.00000
      9     -20.5756      1.00000
     10     -20.0393      1.00000
     11     -19.5101      1.00000
     12     -19.4980      1.00000
     13     -19.3136      1.00000
     14     -19.3079      1.00000
     15     -18.4544      1.00000
     16     -18.4177      1.00000
     17     -17.9292      1.00000
     18     -17.9193      1.00000
     19     -17.7683      1.00000
     20     -17.7326      1.00000
     21     -17.4428      1.00000
     22     -17.4350      1.00000
     23     -17.3476      1.00000
     24     -16.4694      1.00000
     25     -16.4684      1.00000
     26     -15.9741      1.00000
     27     -15.4203      1.00000
     28     -15.4158      1.00000
     29     -15.1028      1.00000
     30     -15.1000      1.00000
     31     -14.8619      1.00000
     32     -14.8537      1.00000
     33     -14.2978      1.00000
     34     -14.2644      1.00000
     35     -13.4442      1.00000
     36     -13.4112      1.00000
     37     -13.1846      1.00000
     38     -13.1803      1.00000
     39     -12.9890      1.00000
     40     -12.9839      1.00000
     41     -12.6203      1.00000
     42     -12.6159      1.00000
     43     -12.2052      1.00000
     44     -11.5828      1.00000
     45     -11.5491      1.00000
     46     -11.3169      1.00000
     47     -11.2943      1.00000
     48     -11.1496      1.00000
     49     -10.6824      1.00000
     50     -10.6682      1.00000
     51     -10.5580      1.00000
     52     -10.3315      1.00000
     53     -10.3242      1.00000
     54     -10.1740      1.00000
     55     -10.1227      1.00000
     56     -10.1190      1.00000
     57      -9.8031      1.00000
     58      -9.7733      1.00000
     59      -9.7581      1.00000
     60      -9.7065      1.00000
     61      -9.7051      1.00000
     62      -9.6667      1.00000
     63      -9.3629      1.00000
     64      -9.3578      1.00000
     65      -9.3218      1.00000
     66      -9.0458      1.00000
     67      -8.9704      1.00000
     68      -8.9553      1.00000
     69      -8.8042      1.00000
     70      -8.6009      1.00000
     71      -8.5625      1.00000
     72      -8.4030      1.00000
     73      -8.3699      1.00000
     74      -8.3312      1.00000
     75      -8.3142      1.00000
     76      -8.2657      1.00000
     77      -8.2640      1.00000
     78      -8.2428      1.00000
     79      -7.9082      1.00000
     80      -7.6538      1.00000
     81      -7.5525      1.00000
     82      -7.3949      1.00000
     83      -7.3568      1.00000
     84      -7.2391      1.00000
     85      -7.1004      1.00000
     86      -7.0428      1.00000
     87      -6.9383      1.00000
     88      -6.8516      1.00000
     89      -6.6190      1.00000
     90      -6.5671      1.00000
     91      -6.2761      1.00000
     92      -6.0483      1.00000
     93      -5.9565      1.00000
     94      -5.6676      1.00000
     95      -5.6276      1.00000
     96      -5.4679      1.00000
     97      -5.3250      1.00000
     98      -5.2837      1.00000
     99      -5.2188      1.00000
    100      -5.1990      1.00000
    101      -4.5115      1.00000
    102      -4.2109      1.00000
    103      -4.0641      1.00000
    104      -3.9942      1.00000
    105      -3.6985      1.00000
    106      -3.5022      1.00000
    107      -1.9514      0.00000
    108      -1.9016      0.00000
    109      -1.3445      0.00000
    110      -1.0905      0.00000
    111      -1.0626      0.00000
    112      -0.8059      0.00000
    113      -0.6821      0.00000
    114      -0.6528      0.00000
    115      -0.6128      0.00000
    116      -0.1119      0.00000
    117       0.2098      0.00000
    118       0.3248      0.00000
    119       0.6880      0.00000
    120       0.8825      0.00000
    121       1.1218      0.00000
    122       1.1934      0.00000
    123       1.3208      0.00000
    124       1.4136      0.00000
    125       1.5476      0.00000
    126       1.5695      0.00000
    127       1.6697      0.00000
    128       1.8062      0.00000
    129       1.8749      0.00000
    130       2.0474      0.00000
    131       2.1344      0.00000
    132       2.3288      0.00000
    133       2.3610      0.00000
    134       2.3870      0.00000
    135       2.5357      0.00000
    136       2.6255      0.00000
    137       2.7225      0.00000
    138       2.7714      0.00000
    139       2.8399      0.00000
    140       2.8794      0.00000
    141       3.0425      0.00000
    142       3.0536      0.00000
    143       3.1545      0.00000
    144       3.2575      0.00000
    145       3.3522      0.00000
    146       3.4079      0.00000
    147       3.4254      0.00000
    148       3.5628      0.00000
    149       3.5806      0.00000
    150       3.5968      0.00000
    151       3.6537      0.00000
    152       3.6677      0.00000
    153       3.7743      0.00000
    154       3.8001      0.00000
    155       3.8190      0.00000
    156       3.8924      0.00000
    157       3.9131      0.00000
    158       3.9897      0.00000
    159       4.2065      0.00000
    160       4.2232      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3241      1.00000
      2     -21.9694      1.00000
      3     -21.9002      1.00000
      4     -21.3874      1.00000
      5     -21.3582      1.00000
      6     -20.8464      1.00000
      7     -20.7810      1.00000
      8     -20.6308      1.00000
      9     -20.0840      1.00000
     10     -20.0785      1.00000
     11     -19.7235      1.00000
     12     -19.6990      1.00000
     13     -19.0029      1.00000
     14     -18.9974      1.00000
     15     -18.6471      1.00000
     16     -18.6312      1.00000
     17     -18.4690      1.00000
     18     -17.6821      1.00000
     19     -17.6317      1.00000
     20     -17.6290      1.00000
     21     -17.5871      1.00000
     22     -17.1333      1.00000
     23     -17.1116      1.00000
     24     -16.9689      1.00000
     25     -16.0088      1.00000
     26     -15.9351      1.00000
     27     -15.5928      1.00000
     28     -15.5926      1.00000
     29     -15.2928      1.00000
     30     -14.8714      1.00000
     31     -14.8439      1.00000
     32     -14.5862      1.00000
     33     -14.5443      1.00000
     34     -14.1744      1.00000
     35     -14.1611      1.00000
     36     -13.1558      1.00000
     37     -13.1081      1.00000
     38     -13.0371      1.00000
     39     -13.0268      1.00000
     40     -12.7164      1.00000
     41     -12.7125      1.00000
     42     -12.3480      1.00000
     43     -12.3169      1.00000
     44     -11.6421      1.00000
     45     -11.6284      1.00000
     46     -11.5778      1.00000
     47     -10.9557      1.00000
     48     -10.9229      1.00000
     49     -10.6391      1.00000
     50     -10.6324      1.00000
     51     -10.5533      1.00000
     52     -10.5062      1.00000
     53     -10.5058      1.00000
     54     -10.4480      1.00000
     55     -10.3687      1.00000
     56     -10.1041      1.00000
     57      -9.9081      1.00000
     58      -9.6172      1.00000
     59      -9.5647      1.00000
     60      -9.4578      1.00000
     61      -9.4186      1.00000
     62      -9.4117      1.00000
     63      -9.3853      1.00000
     64      -9.3848      1.00000
     65      -9.2921      1.00000
     66      -9.1746      1.00000
     67      -9.1493      1.00000
     68      -9.1204      1.00000
     69      -8.8709      1.00000
     70      -8.8637      1.00000
     71      -8.8199      1.00000
     72      -8.6017      1.00000
     73      -8.4847      1.00000
     74      -8.2050      1.00000
     75      -8.1698      1.00000
     76      -8.0122      1.00000
     77      -7.9684      1.00000
     78      -7.8595      1.00000
     79      -7.8488      1.00000
     80      -7.7115      1.00000
     81      -7.7046      1.00000
     82      -7.6258      1.00000
     83      -7.4528      1.00000
     84      -7.3037      1.00000
     85      -7.2563      1.00000
     86      -6.9133      1.00000
     87      -6.8995      1.00000
     88      -6.5929      1.00000
     89      -6.5557      1.00000
     90      -6.4156      1.00000
     91      -6.2584      1.00000
     92      -6.2372      1.00000
     93      -6.2109      1.00000
     94      -6.0278      1.00000
     95      -5.5546      1.00000
     96      -5.4940      1.00000
     97      -5.3553      1.00000
     98      -5.2246      1.00000
     99      -4.9847      1.00000
    100      -4.7372      1.00000
    101      -4.6832      1.00000
    102      -4.3905      1.00000
    103      -4.2063      1.00000
    104      -3.8752      1.00000
    105      -3.5515      1.00000
    106      -3.5143      1.00000
    107      -2.2609      0.00000
    108      -1.4624      0.00000
    109      -1.3753      0.00000
    110      -1.2470      0.00000
    111      -1.1035      0.00000
    112      -0.9509      0.00000
    113      -0.8696      0.00000
    114      -0.8093      0.00000
    115      -0.1427      0.00000
    116       0.1071      0.00000
    117       0.2358      0.00000
    118       0.3730      0.00000
    119       0.6452      0.00000
    120       0.8305      0.00000
    121       0.9308      0.00000
    122       1.0583      0.00000
    123       1.2259      0.00000
    124       1.4436      0.00000
    125       1.5410      0.00000
    126       1.7599      0.00000
    127       1.7872      0.00000
    128       1.8725      0.00000
    129       1.9580      0.00000
    130       2.0448      0.00000
    131       2.1654      0.00000
    132       2.1948      0.00000
    133       2.4040      0.00000
    134       2.4747      0.00000
    135       2.5363      0.00000
    136       2.5983      0.00000
    137       2.6363      0.00000
    138       2.6879      0.00000
    139       2.7758      0.00000
    140       2.8255      0.00000
    141       2.9403      0.00000
    142       3.0781      0.00000
    143       3.1923      0.00000
    144       3.2199      0.00000
    145       3.2644      0.00000
    146       3.3264      0.00000
    147       3.3327      0.00000
    148       3.4608      0.00000
    149       3.4885      0.00000
    150       3.6912      0.00000
    151       3.7029      0.00000
    152       3.7199      0.00000
    153       3.8498      0.00000
    154       3.9118      0.00000
    155       3.9427      0.00000
    156       3.9720      0.00000
    157       4.0216      0.00000
    158       4.0271      0.00000
    159       4.0430      0.00000
    160       4.0751      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2170      1.00000
      2     -22.1241      1.00000
      3     -21.9634      1.00000
      4     -21.4110      1.00000
      5     -21.0564      1.00000
      6     -21.0205      1.00000
      7     -20.5074      1.00000
      8     -20.4678      1.00000
      9     -20.3016      1.00000
     10     -20.2824      1.00000
     11     -19.9641      1.00000
     12     -19.8984      1.00000
     13     -18.8891      1.00000
     14     -18.8204      1.00000
     15     -18.3597      1.00000
     16     -18.3135      1.00000
     17     -18.1598      1.00000
     18     -18.1426      1.00000
     19     -17.8335      1.00000
     20     -17.7961      1.00000
     21     -17.2586      1.00000
     22     -17.2485      1.00000
     23     -17.1715      1.00000
     24     -17.1397      1.00000
     25     -16.1174      1.00000
     26     -15.8918      1.00000
     27     -15.8772      1.00000
     28     -15.8408      1.00000
     29     -15.2433      1.00000
     30     -14.5618      1.00000
     31     -14.5339      1.00000
     32     -14.2870      1.00000
     33     -13.9713      1.00000
     34     -13.9637      1.00000
     35     -13.8276      1.00000
     36     -13.8119      1.00000
     37     -13.6214      1.00000
     38     -13.5777      1.00000
     39     -13.3770      1.00000
     40     -12.6418      1.00000
     41     -12.1878      1.00000
     42     -12.1399      1.00000
     43     -12.0786      1.00000
     44     -12.0265      1.00000
     45     -11.6774      1.00000
     46     -11.6639      1.00000
     47     -11.1458      1.00000
     48     -11.1254      1.00000
     49     -10.8011      1.00000
     50     -10.7377      1.00000
     51     -10.5336      1.00000
     52     -10.2172      1.00000
     53     -10.2122      1.00000
     54     -10.1693      1.00000
     55     -10.0255      1.00000
     56     -10.0098      1.00000
     57      -9.9972      1.00000
     58      -9.8089      1.00000
     59      -9.8051      1.00000
     60      -9.7698      1.00000
     61      -9.7648      1.00000
     62      -9.4609      1.00000
     63      -9.4222      1.00000
     64      -9.0857      1.00000
     65      -9.0804      1.00000
     66      -9.0477      1.00000
     67      -8.9619      1.00000
     68      -8.8820      1.00000
     69      -8.7199      1.00000
     70      -8.7074      1.00000
     71      -8.5722      1.00000
     72      -8.5496      1.00000
     73      -8.5043      1.00000
     74      -8.4709      1.00000
     75      -8.4591      1.00000
     76      -8.2651      1.00000
     77      -8.1299      1.00000
     78      -8.0482      1.00000
     79      -7.9237      1.00000
     80      -7.8673      1.00000
     81      -7.6191      1.00000
     82      -7.5539      1.00000
     83      -7.4928      1.00000
     84      -7.2701      1.00000
     85      -7.0036      1.00000
     86      -6.9310      1.00000
     87      -6.8904      1.00000
     88      -6.5391      1.00000
     89      -6.4937      1.00000
     90      -6.4657      1.00000
     91      -6.4150      1.00000
     92      -5.9884      1.00000
     93      -5.9024      1.00000
     94      -5.7894      1.00000
     95      -5.7645      1.00000
     96      -5.4368      1.00000
     97      -5.3344      1.00000
     98      -5.2351      1.00000
     99      -5.2227      1.00000
    100      -5.1936      1.00000
    101      -4.6970      1.00000
    102      -4.4244      1.00000
    103      -4.2128      1.00000
    104      -3.8381      1.00000
    105      -3.5336      1.00000
    106      -3.2794      1.00000
    107      -2.5362      0.00000
    108      -1.4637      0.00000
    109      -1.2713      0.00000
    110      -1.2082      0.00000
    111      -1.1776      0.00000
    112      -0.7250      0.00000
    113      -0.5092      0.00000
    114      -0.4175      0.00000
    115      -0.3444      0.00000
    116      -0.1512      0.00000
    117      -0.0088      0.00000
    118       0.1903      0.00000
    119       0.5570      0.00000
    120       0.6069      0.00000
    121       0.7906      0.00000
    122       0.9006      0.00000
    123       1.1259      0.00000
    124       1.4850      0.00000
    125       1.6308      0.00000
    126       1.8404      0.00000
    127       1.9199      0.00000
    128       2.0965      0.00000
    129       2.1075      0.00000
    130       2.1663      0.00000
    131       2.1916      0.00000
    132       2.2738      0.00000
    133       2.3445      0.00000
    134       2.4745      0.00000
    135       2.5798      0.00000
    136       2.6503      0.00000
    137       2.8459      0.00000
    138       2.8646      0.00000
    139       2.8857      0.00000
    140       3.0181      0.00000
    141       3.0228      0.00000
    142       3.1326      0.00000
    143       3.1925      0.00000
    144       3.2318      0.00000
    145       3.2704      0.00000
    146       3.2768      0.00000
    147       3.2936      0.00000
    148       3.3399      0.00000
    149       3.4150      0.00000
    150       3.4372      0.00000
    151       3.5439      0.00000
    152       3.6193      0.00000
    153       3.7206      0.00000
    154       3.7396      0.00000
    155       3.7628      0.00000
    156       3.8882      0.00000
    157       3.9396      0.00000
    158       3.9992      0.00000
    159       4.1185      0.00000
    160       4.2133      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3239      1.00000
      2     -21.9709      1.00000
      3     -21.8988      1.00000
      4     -21.3912      1.00000
      5     -21.3548      1.00000
      6     -20.8460      1.00000
      7     -20.7796      1.00000
      8     -20.6315      1.00000
      9     -20.0962      1.00000
     10     -20.0675      1.00000
     11     -19.7251      1.00000
     12     -19.6962      1.00000
     13     -19.0165      1.00000
     14     -18.9854      1.00000
     15     -18.6565      1.00000
     16     -18.6239      1.00000
     17     -18.4672      1.00000
     18     -17.6673      1.00000
     19     -17.6532      1.00000
     20     -17.6172      1.00000
     21     -17.5847      1.00000
     22     -17.1440      1.00000
     23     -17.1041      1.00000
     24     -16.9725      1.00000
     25     -16.0149      1.00000
     26     -15.9303      1.00000
     27     -15.6054      1.00000
     28     -15.5820      1.00000
     29     -15.2870      1.00000
     30     -14.8834      1.00000
     31     -14.8365      1.00000
     32     -14.5813      1.00000
     33     -14.5437      1.00000
     34     -14.1711      1.00000
     35     -14.1670      1.00000
     36     -13.1690      1.00000
     37     -13.1024      1.00000
     38     -13.0297      1.00000
     39     -13.0253      1.00000
     40     -12.7246      1.00000
     41     -12.7014      1.00000
     42     -12.3477      1.00000
     43     -12.3205      1.00000
     44     -11.6390      1.00000
     45     -11.6299      1.00000
     46     -11.5775      1.00000
     47     -10.9481      1.00000
     48     -10.9301      1.00000
     49     -10.6753      1.00000
     50     -10.5965      1.00000
     51     -10.5788      1.00000
     52     -10.5086      1.00000
     53     -10.4954      1.00000
     54     -10.4455      1.00000
     55     -10.3626      1.00000
     56     -10.1084      1.00000
     57      -9.9024      1.00000
     58      -9.6150      1.00000
     59      -9.5580      1.00000
     60      -9.4594      1.00000
     61      -9.4263      1.00000
     62      -9.4159      1.00000
     63      -9.3859      1.00000
     64      -9.3785      1.00000
     65      -9.2722      1.00000
     66      -9.1729      1.00000
     67      -9.1487      1.00000
     68      -9.1235      1.00000
     69      -8.8735      1.00000
     70      -8.8674      1.00000
     71      -8.8070      1.00000
     72      -8.6012      1.00000
     73      -8.5312      1.00000
     74      -8.2008      1.00000
     75      -8.1777      1.00000
     76      -8.0797      1.00000
     77      -7.8635      1.00000
     78      -7.8434      1.00000
     79      -7.8292      1.00000
     80      -7.7174      1.00000
     81      -7.7030      1.00000
     82      -7.6009      1.00000
     83      -7.5333      1.00000
     84      -7.3545      1.00000
     85      -7.1701      1.00000
     86      -6.9131      1.00000
     87      -6.9027      1.00000
     88      -6.5971      1.00000
     89      -6.5557      1.00000
     90      -6.4126      1.00000
     91      -6.3069      1.00000
     92      -6.2523      1.00000
     93      -6.2091      1.00000
     94      -6.0087      1.00000
     95      -5.5367      1.00000
     96      -5.4703      1.00000
     97      -5.3189      1.00000
     98      -5.2146      1.00000
     99      -5.0518      1.00000
    100      -4.7284      1.00000
    101      -4.6767      1.00000
    102      -4.4270      1.00000
    103      -4.1980      1.00000
    104      -3.8469      1.00000
    105      -3.6392      1.00000
    106      -3.4204      1.00000
    107      -2.2984      0.00000
    108      -1.5150      0.00000
    109      -1.2755      0.00000
    110      -1.2678      0.00000
    111      -1.0396      0.00000
    112      -0.9818      0.00000
    113      -0.8734      0.00000
    114      -0.8050      0.00000
    115      -0.2652      0.00000
    116       0.1983      0.00000
    117       0.2340      0.00000
    118       0.3556      0.00000
    119       0.6843      0.00000
    120       0.8886      0.00000
    121       0.9182      0.00000
    122       1.0355      0.00000
    123       1.1613      0.00000
    124       1.5037      0.00000
    125       1.5509      0.00000
    126       1.7031      0.00000
    127       1.7731      0.00000
    128       1.8293      0.00000
    129       1.9618      0.00000
    130       1.9786      0.00000
    131       2.1868      0.00000
    132       2.2513      0.00000
    133       2.4052      0.00000
    134       2.4809      0.00000
    135       2.5385      0.00000
    136       2.5936      0.00000
    137       2.6123      0.00000
    138       2.6910      0.00000
    139       2.7560      0.00000
    140       2.8547      0.00000
    141       3.0279      0.00000
    142       3.0760      0.00000
    143       3.1906      0.00000
    144       3.2494      0.00000
    145       3.2673      0.00000
    146       3.2993      0.00000
    147       3.3557      0.00000
    148       3.4445      0.00000
    149       3.5108      0.00000
    150       3.6847      0.00000
    151       3.7102      0.00000
    152       3.7407      0.00000
    153       3.8234      0.00000
    154       3.8920      0.00000
    155       3.9272      0.00000
    156       3.9739      0.00000
    157       4.0025      0.00000
    158       4.0417      0.00000
    159       4.0532      0.00000
    160       4.0937      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3960      1.00000
      2     -21.8372      1.00000
      3     -21.6480      1.00000
      4     -21.6130      1.00000
      5     -21.2853      1.00000
      6     -21.2384      1.00000
      7     -21.0629      1.00000
      8     -20.1779      1.00000
      9     -20.1319      1.00000
     10     -19.6240      1.00000
     11     -19.5971      1.00000
     12     -19.4221      1.00000
     13     -19.1013      1.00000
     14     -19.0628      1.00000
     15     -19.0583      1.00000
     16     -19.0450      1.00000
     17     -18.3738      1.00000
     18     -18.3534      1.00000
     19     -18.0231      1.00000
     20     -17.0789      1.00000
     21     -17.0302      1.00000
     22     -16.9564      1.00000
     23     -16.9423      1.00000
     24     -16.4813      1.00000
     25     -16.4700      1.00000
     26     -15.6167      1.00000
     27     -15.6163      1.00000
     28     -15.2573      1.00000
     29     -15.2444      1.00000
     30     -15.1974      1.00000
     31     -15.1076      1.00000
     32     -15.0741      1.00000
     33     -14.7058      1.00000
     34     -14.7042      1.00000
     35     -13.7325      1.00000
     36     -13.7318      1.00000
     37     -13.2412      1.00000
     38     -12.6308      1.00000
     39     -12.5861      1.00000
     40     -12.4612      1.00000
     41     -12.4555      1.00000
     42     -12.1130      1.00000
     43     -12.1073      1.00000
     44     -11.7294      1.00000
     45     -11.6909      1.00000
     46     -11.2526      1.00000
     47     -11.2314      1.00000
     48     -11.0241      1.00000
     49     -11.0121      1.00000
     50     -10.9353      1.00000
     51     -10.9068      1.00000
     52     -10.6417      1.00000
     53     -10.1783      1.00000
     54     -10.1558      1.00000
     55     -10.0904      1.00000
     56      -9.9968      1.00000
     57      -9.7032      1.00000
     58      -9.6967      1.00000
     59      -9.6753      1.00000
     60      -9.5983      1.00000
     61      -9.5752      1.00000
     62      -9.5588      1.00000
     63      -9.3187      1.00000
     64      -9.3065      1.00000
     65      -9.2882      1.00000
     66      -9.2514      1.00000
     67      -9.1272      1.00000
     68      -9.1188      1.00000
     69      -9.1171      1.00000
     70      -8.9442      1.00000
     71      -8.8838      1.00000
     72      -8.6126      1.00000
     73      -8.5946      1.00000
     74      -8.2744      1.00000
     75      -8.1070      1.00000
     76      -7.8762      1.00000
     77      -7.8483      1.00000
     78      -7.7945      1.00000
     79      -7.7705      1.00000
     80      -7.7621      1.00000
     81      -7.4502      1.00000
     82      -7.3413      1.00000
     83      -7.3290      1.00000
     84      -7.2707      1.00000
     85      -7.1664      1.00000
     86      -7.0238      1.00000
     87      -6.9901      1.00000
     88      -6.7223      1.00000
     89      -6.6948      1.00000
     90      -6.6365      1.00000
     91      -6.5944      1.00000
     92      -6.1231      1.00000
     93      -6.0658      1.00000
     94      -6.0494      1.00000
     95      -6.0359      1.00000
     96      -5.7529      1.00000
     97      -4.9792      1.00000
     98      -4.8447      1.00000
     99      -4.7140      1.00000
    100      -4.6789      1.00000
    101      -4.4873      1.00000
    102      -4.3564      1.00000
    103      -4.1160      1.00000
    104      -4.0599      1.00000
    105      -3.7588      1.00000
    106      -3.4695      1.00000
    107      -1.9571      0.00000
    108      -1.7766      0.00000
    109      -1.4852      0.00000
    110      -1.3610      0.00000
    111      -1.3409      0.00000
    112      -1.2971      0.00000
    113      -0.6826      0.00000
    114      -0.4763      0.00000
    115      -0.2417      0.00000
    116       0.0482      0.00000
    117       0.5806      0.00000
    118       0.6861      0.00000
    119       0.7648      0.00000
    120       1.0182      0.00000
    121       1.0915      0.00000
    122       1.1714      0.00000
    123       1.2471      0.00000
    124       1.3291      0.00000
    125       1.4256      0.00000
    126       1.5877      0.00000
    127       1.7669      0.00000
    128       1.8355      0.00000
    129       1.8559      0.00000
    130       1.8806      0.00000
    131       2.0463      0.00000
    132       2.2102      0.00000
    133       2.2217      0.00000
    134       2.2763      0.00000
    135       2.4744      0.00000
    136       2.6093      0.00000
    137       2.6521      0.00000
    138       2.7397      0.00000
    139       2.7960      0.00000
    140       2.8299      0.00000
    141       2.8409      0.00000
    142       2.8857      0.00000
    143       2.9557      0.00000
    144       3.0714      0.00000
    145       3.3115      0.00000
    146       3.3579      0.00000
    147       3.4130      0.00000
    148       3.4247      0.00000
    149       3.4247      0.00000
    150       3.6023      0.00000
    151       3.6576      0.00000
    152       3.6742      0.00000
    153       3.7264      0.00000
    154       3.8916      0.00000
    155       3.9191      0.00000
    156       3.9532      0.00000
    157       4.1025      0.00000
    158       4.2017      0.00000
    159       4.2555      0.00000
    160       4.2787      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2161      1.00000
      2     -22.1254      1.00000
      3     -21.9631      1.00000
      4     -21.4112      1.00000
      5     -21.0525      1.00000
      6     -21.0242      1.00000
      7     -20.5024      1.00000
      8     -20.4727      1.00000
      9     -20.2926      1.00000
     10     -20.2907      1.00000
     11     -19.9633      1.00000
     12     -19.9002      1.00000
     13     -18.8901      1.00000
     14     -18.8225      1.00000
     15     -18.3443      1.00000
     16     -18.3248      1.00000
     17     -18.1558      1.00000
     18     -18.1481      1.00000
     19     -17.8224      1.00000
     20     -17.8040      1.00000
     21     -17.2647      1.00000
     22     -17.2452      1.00000
     23     -17.1670      1.00000
     24     -17.1423      1.00000
     25     -16.1220      1.00000
     26     -15.8878      1.00000
     27     -15.8766      1.00000
     28     -15.8470      1.00000
     29     -15.2380      1.00000
     30     -14.5581      1.00000
     31     -14.5398      1.00000
     32     -14.2829      1.00000
     33     -13.9811      1.00000
     34     -13.9573      1.00000
     35     -13.8308      1.00000
     36     -13.8089      1.00000
     37     -13.6113      1.00000
     38     -13.5858      1.00000
     39     -13.3766      1.00000
     40     -12.6448      1.00000
     41     -12.1763      1.00000
     42     -12.1498      1.00000
     43     -12.0756      1.00000
     44     -12.0287      1.00000
     45     -11.6707      1.00000
     46     -11.6662      1.00000
     47     -11.1440      1.00000
     48     -11.1332      1.00000
     49     -10.7984      1.00000
     50     -10.7422      1.00000
     51     -10.5404      1.00000
     52     -10.2146      1.00000
     53     -10.2087      1.00000
     54     -10.1750      1.00000
     55     -10.0289      1.00000
     56      -9.9990      1.00000
     57      -9.9966      1.00000
     58      -9.8117      1.00000
     59      -9.8024      1.00000
     60      -9.7712      1.00000
     61      -9.7639      1.00000
     62      -9.4627      1.00000
     63      -9.4220      1.00000
     64      -9.0908      1.00000
     65      -9.0524      1.00000
     66      -9.0303      1.00000
     67      -8.9779      1.00000
     68      -8.9028      1.00000
     69      -8.7146      1.00000
     70      -8.7057      1.00000
     71      -8.5684      1.00000
     72      -8.5578      1.00000
     73      -8.4829      1.00000
     74      -8.4669      1.00000
     75      -8.4631      1.00000
     76      -8.3132      1.00000
     77      -8.0997      1.00000
     78      -8.0938      1.00000
     79      -7.9322      1.00000
     80      -7.8358      1.00000
     81      -7.6056      1.00000
     82      -7.5457      1.00000
     83      -7.4453      1.00000
     84      -7.3161      1.00000
     85      -6.9995      1.00000
     86      -6.9252      1.00000
     87      -6.8879      1.00000
     88      -6.5366      1.00000
     89      -6.5206      1.00000
     90      -6.4882      1.00000
     91      -6.4254      1.00000
     92      -5.9316      1.00000
     93      -5.9101      1.00000
     94      -5.7939      1.00000
     95      -5.7796      1.00000
     96      -5.3744      1.00000
     97      -5.3676      1.00000
     98      -5.2257      1.00000
     99      -5.2205      1.00000
    100      -5.2036      1.00000
    101      -4.7252      1.00000
    102      -4.4452      1.00000
    103      -4.1942      1.00000
    104      -3.8243      1.00000
    105      -3.5701      1.00000
    106      -3.2259      1.00000
    107      -2.5685      0.00000
    108      -1.4689      0.00000
    109      -1.2710      0.00000
    110      -1.1912      0.00000
    111      -1.1894      0.00000
    112      -0.6498      0.00000
    113      -0.5566      0.00000
    114      -0.4205      0.00000
    115      -0.3530      0.00000
    116      -0.0821      0.00000
    117      -0.0681      0.00000
    118       0.1223      0.00000
    119       0.5869      0.00000
    120       0.6209      0.00000
    121       0.8491      0.00000
    122       0.9781      0.00000
    123       0.9985      0.00000
    124       1.4896      0.00000
    125       1.6794      0.00000
    126       1.7518      0.00000
    127       1.8504      0.00000
    128       2.1023      0.00000
    129       2.1610      0.00000
    130       2.1923      0.00000
    131       2.2036      0.00000
    132       2.2543      0.00000
    133       2.3571      0.00000
    134       2.4869      0.00000
    135       2.5217      0.00000
    136       2.6557      0.00000
    137       2.8469      0.00000
    138       2.8537      0.00000
    139       2.9469      0.00000
    140       3.0064      0.00000
    141       3.0352      0.00000
    142       3.1280      0.00000
    143       3.2066      0.00000
    144       3.2368      0.00000
    145       3.2500      0.00000
    146       3.2749      0.00000
    147       3.2963      0.00000
    148       3.3477      0.00000
    149       3.4117      0.00000
    150       3.5418      0.00000
    151       3.5585      0.00000
    152       3.6375      0.00000
    153       3.6587      0.00000
    154       3.7162      0.00000
    155       3.7367      0.00000
    156       3.8898      0.00000
    157       3.9605      0.00000
    158       4.0289      0.00000
    159       4.0640      0.00000
    160       4.1738      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2897      1.00000
      2     -22.0850      1.00000
      3     -21.7268      1.00000
      4     -21.6876      1.00000
      5     -20.9893      1.00000
      6     -20.9416      1.00000
      7     -20.6177      1.00000
      8     -20.5857      1.00000
      9     -20.5721      1.00000
     10     -20.0387      1.00000
     11     -19.5204      1.00000
     12     -19.4897      1.00000
     13     -19.3184      1.00000
     14     -19.3047      1.00000
     15     -18.4561      1.00000
     16     -18.4130      1.00000
     17     -17.9345      1.00000
     18     -17.9136      1.00000
     19     -17.7724      1.00000
     20     -17.7275      1.00000
     21     -17.4485      1.00000
     22     -17.4295      1.00000
     23     -17.3448      1.00000
     24     -16.4775      1.00000
     25     -16.4679      1.00000
     26     -15.9760      1.00000
     27     -15.4183      1.00000
     28     -15.4170      1.00000
     29     -15.1029      1.00000
     30     -15.1003      1.00000
     31     -14.8606      1.00000
     32     -14.8474      1.00000
     33     -14.3041      1.00000
     34     -14.2599      1.00000
     35     -13.4506      1.00000
     36     -13.4063      1.00000
     37     -13.1827      1.00000
     38     -13.1806      1.00000
     39     -12.9919      1.00000
     40     -12.9827      1.00000
     41     -12.6184      1.00000
     42     -12.6156      1.00000
     43     -12.2027      1.00000
     44     -11.5874      1.00000
     45     -11.5463      1.00000
     46     -11.3212      1.00000
     47     -11.2909      1.00000
     48     -11.1479      1.00000
     49     -10.6996      1.00000
     50     -10.6700      1.00000
     51     -10.5522      1.00000
     52     -10.3287      1.00000
     53     -10.3208      1.00000
     54     -10.1803      1.00000
     55     -10.1285      1.00000
     56     -10.1154      1.00000
     57      -9.8164      1.00000
     58      -9.7588      1.00000
     59      -9.7580      1.00000
     60      -9.7083      1.00000
     61      -9.7049      1.00000
     62      -9.6513      1.00000
     63      -9.3589      1.00000
     64      -9.3577      1.00000
     65      -9.3263      1.00000
     66      -9.0324      1.00000
     67      -8.9682      1.00000
     68      -8.9645      1.00000
     69      -8.7800      1.00000
     70      -8.6003      1.00000
     71      -8.5926      1.00000
     72      -8.4284      1.00000
     73      -8.3545      1.00000
     74      -8.3298      1.00000
     75      -8.3094      1.00000
     76      -8.2732      1.00000
     77      -8.2625      1.00000
     78      -8.2474      1.00000
     79      -7.9248      1.00000
     80      -7.7369      1.00000
     81      -7.3856      1.00000
     82      -7.3555      1.00000
     83      -7.3260      1.00000
     84      -7.2225      1.00000
     85      -7.1648      1.00000
     86      -7.0691      1.00000
     87      -6.9653      1.00000
     88      -6.9092      1.00000
     89      -6.6226      1.00000
     90      -6.5622      1.00000
     91      -6.2803      1.00000
     92      -6.0009      1.00000
     93      -5.9645      1.00000
     94      -5.6800      1.00000
     95      -5.6535      1.00000
     96      -5.3919      1.00000
     97      -5.3204      1.00000
     98      -5.2990      1.00000
     99      -5.2169      1.00000
    100      -5.2053      1.00000
    101      -4.5146      1.00000
    102      -4.3427      1.00000
    103      -4.0009      1.00000
    104      -3.8904      1.00000
    105      -3.7969      1.00000
    106      -3.4473      1.00000
    107      -2.0411      0.00000
    108      -1.8688      0.00000
    109      -1.2230      0.00000
    110      -1.1879      0.00000
    111      -1.0417      0.00000
    112      -0.7778      0.00000
    113      -0.6824      0.00000
    114      -0.6657      0.00000
    115      -0.6146      0.00000
    116      -0.1050      0.00000
    117       0.2174      0.00000
    118       0.2357      0.00000
    119       0.7626      0.00000
    120       0.9773      0.00000
    121       1.0694      0.00000
    122       1.2352      0.00000
    123       1.2457      0.00000
    124       1.3364      0.00000
    125       1.5702      0.00000
    126       1.5781      0.00000
    127       1.6912      0.00000
    128       1.7952      0.00000
    129       1.9367      0.00000
    130       1.9494      0.00000
    131       2.0976      0.00000
    132       2.3023      0.00000
    133       2.3392      0.00000
    134       2.4081      0.00000
    135       2.5336      0.00000
    136       2.6234      0.00000
    137       2.7812      0.00000
    138       2.8355      0.00000
    139       2.8427      0.00000
    140       2.8654      0.00000
    141       3.0454      0.00000
    142       3.0922      0.00000
    143       3.1414      0.00000
    144       3.2152      0.00000
    145       3.3682      0.00000
    146       3.4070      0.00000
    147       3.4978      0.00000
    148       3.5438      0.00000
    149       3.5834      0.00000
    150       3.6078      0.00000
    151       3.6414      0.00000
    152       3.7279      0.00000
    153       3.7365      0.00000
    154       3.7797      0.00000
    155       3.8298      0.00000
    156       3.8757      0.00000
    157       4.0160      0.00000
    158       4.0802      0.00000
    159       4.1608      0.00000
    160       4.2005      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0427   -7.3892    4.1979   -1.2755   -0.2386   17.5938    0.1477   -0.5325    0.6339   -0.4649
x    -3.0923   -0.0374   -0.0632    0.0617   -0.0091   -2.9775   -0.0110   -0.0070    0.0049    0.0016
x    -0.0965    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0427    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0942   -0.0088    0.0375    0.0376
y    -0.0456   -3.2474   -0.5378   -0.1638   -1.1790   -0.6053
z   204.0427    1.1242   -0.2803    0.0407    0.0091    0.0617    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0777    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1597
z    -0.2838    0.1868   -0.0386    0.0472   -0.1053    0.0013
 total charge-density along one line
x   212.0000  -10.2202    6.1467   -2.0858   -0.4745   19.5135   -0.9958    0.4743   -0.0449   -0.1261
x    -2.6446   -0.0277   -0.0610    0.0846   -0.0533   -2.2246   -0.0250   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2202    6.1467   -2.0858   -0.4745   19.5135   -0.9958    0.4743   -0.0449   -0.1261
y    -2.6446   -0.0277   -0.0610    0.0846   -0.0533   -2.2246   -0.0250   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4926  189.2909 -170.3610  153.6332 -139.4077  125.3952 -110.0787   93.9333  -78.3227
z    64.1176  -51.4695   40.4077  -31.2037   24.1073  -18.9245   15.0128  -11.7036    8.7037   -6.1125
z     4.1242   -2.7533    1.8168   -1.1071    0.5367   -0.1245   -0.1132    0.2293   -0.3102    0.4004
z    -0.4768    0.4935   -0.4404    0.3553   -0.2863    0.2512   -0.2333    0.2087   -0.1710    0.1318
z    -0.1038    0.0880   -0.0768    0.0637   -0.0491    0.0374   -0.0309    0.0276   -0.0243    0.0198
z    -0.0151    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.843   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.007   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.103   0.000   0.030   0.007   0.000   0.220
  0.000   0.130   0.000 -11.157   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.837  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.220   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.843   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.007   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.103   0.000   0.030   0.007   0.000   0.220
  0.000   0.130   0.000 -11.157   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.837  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.220   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.269   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.796   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.031   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.269   0.000  -0.311   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.585  -0.238   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.069   0.006
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.369  -0.419   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.031   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.419   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.264   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.045   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.262   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.647
  8        0.864   1.783   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.649
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.645
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.645
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.649
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.647
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.867  89.431   8.029 142.327
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  112.53: CPU time   56.68
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  435.34: CPU time  219.10
    STRESS:  VPU time 1310.45: CPU time  659.36
    FORCOR:  VPU time    8.67: CPU time    8.67
    FORHAR:  VPU time    2.28: CPU time    2.27
    MIXING:  VPU time    0.17: CPU time    0.18
 d Force = 0.1737131E-04[-0.107E-04, 0.454E-04]  d Energy = 0.1039520E-03-0.866E-04
 d Force = 0.6244254E+00[ 0.624E+00, 0.625E+00]  d Ewald  =-0.1815338E+02 0.188E+02


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726427 eV

  energy  without entropy=     -471.726427  energy(sigma->0) =     -471.726427
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40839.29  40794.34 -47537.94    -38.93      0.00      0.00
  Hartree  40264.72  40245.71 -39523.45    -16.47      0.00      0.00
  E(xc)     -779.41   -779.70   -807.33     -0.25      0.00      0.00
  Local   -83388.22 -83333.18  84376.49     47.66      0.00      0.00
  n-local   -216.84   -215.70   -203.45      0.71      0.00      0.00
  augment     20.06     22.05     17.82      1.72      0.00      0.00
  Kinetic   3162.51   3176.02   3584.42      3.36      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.22     -0.27      0.50     -0.05      0.00      0.00
  in kB       -0.13     -0.16      0.30     -0.03      0.00      0.00
  external pressure =        0.00 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345715378  0.001039209  0.000000000     0.080995826  0.046753939  0.000000000
    -6.171964350 10.692218828  0.000000000    -0.000007872  0.093521413  0.000000000
     0.000000000  0.000000000 19.983877871     0.000000000  0.000000000  0.050040338

  length of vectors
    12.345715422 12.345715346 19.983877871     0.093521413  0.093521413  0.050040338


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.473E-05 -.490E-04 -.952E+03   0.450E-05 -.278E-04 0.960E+03   -.169E-20 0.173E-23 -.871E+01   0.405E-07 -.337E-07 0.433E-01
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.890E+00 -.253E+01   0.170E-02 -.980E-03 0.154E-02
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.890E+00 -.253E+01   -.170E-02 0.980E-03 0.154E-02
   -.210E+01 0.121E+01 0.163E+02   0.210E+01 -.121E+01 -.163E+02   -.331E-02 0.191E-02 -.239E-01   0.418E-02 -.242E-02 -.859E-03
   0.619E+01 0.679E+01 0.194E+02   -.619E+01 -.681E+01 -.193E+02   0.411E-03 0.237E-01 -.272E-01   -.396E-03 0.421E-02 -.668E-03
   0.112E+02 0.512E+01 0.161E+02   -.112E+02 -.513E+01 -.161E+02   0.218E-01 0.589E-02 -.481E-01   0.147E-02 -.289E-02 0.136E-03
   0.472E+01 -.883E+00 0.126E+02   -.473E+01 0.892E+00 -.125E+02   0.159E-01 -.891E-02 -.181E-01   0.200E-02 -.802E-03 0.120E-02
   -.310E+01 -.251E+01 0.126E+02   0.310E+01 0.251E+01 -.126E+02   0.266E-02 0.786E-03 -.129E-01   0.256E-02 -.227E-02 -.104E-03
   0.629E+00 0.394E+01 0.126E+02   -.627E+00 -.394E+01 -.126E+02   0.651E-03 -.270E-02 -.129E-01   0.324E-02 -.109E-02 -.107E-03
   0.244E+01 0.189E+02 0.240E+02   -.244E+01 -.190E+02 -.240E+02   -.985E-03 0.101E+00 -.481E-01   -.109E-02 -.550E-02 -.223E-03
   0.226E+02 0.214E+02 0.422E+02   -.227E+02 -.217E+02 -.422E+02   0.829E-01 0.260E+00 -.602E-01   0.903E-02 -.243E-02 0.575E-03
   0.268E+02 -.345E+01 0.257E+02   -.271E+02 0.356E+01 -.256E+02   0.266E+00 -.110E+00 -.331E-01   0.669E-03 0.460E-03 0.709E-03
   0.916E+01 -.529E+01 0.136E+02   -.920E+01 0.531E+01 -.136E+02   0.429E-01 -.248E-01 -.119E-01   0.839E-03 -.491E-03 -.353E-03
   0.312E+01 -.364E+01 0.126E+02   -.314E+01 0.365E+01 -.125E+02   0.157E-01 -.931E-02 -.181E-01   0.169E-02 -.133E-02 0.119E-02
   -.594E+01 0.136E+02 0.161E+02   0.594E+01 -.137E+02 -.161E+02   -.189E-03 0.721E-01 -.515E-01   0.345E-02 0.979E-03 0.552E-03
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.285E-01 0.612E+00 0.294E+00   0.132E-02 0.327E-02 0.258E-02
   0.237E+02 -.137E+02 0.941E+02   -.243E+02 0.140E+02 -.962E+02   0.639E+00 -.369E+00 0.205E+01   0.328E-02 -.190E-02 0.484E-02
   0.164E+02 -.215E+02 0.257E+02   -.166E+02 0.217E+02 -.256E+02   0.228E+00 -.175E+00 -.331E-01   -.659E-04 -.817E-03 0.705E-03
   0.116E+01 -.123E+02 0.161E+02   -.116E+01 0.123E+02 -.161E+02   0.579E-02 -.218E-01 -.481E-01   0.324E-02 0.171E-03 0.131E-03
   -.417E+01 0.193E+01 0.116E+02   0.417E+01 -.194E+01 -.116E+02   0.124E-02 0.881E-02 -.438E-01   0.262E-02 -.137E-02 0.263E-03
   -.193E+02 0.111E+02 0.218E+02   0.193E+02 -.112E+02 -.217E+02   -.533E-01 0.308E-01 -.427E-01   -.310E-03 0.183E-03 -.384E-03
   -.373E+02 -.786E+01 0.478E+02   0.379E+02 0.814E+01 -.481E+02   -.544E+00 -.281E+00 0.294E+00   -.217E-02 -.278E-02 0.258E-02
   -.724E+01 -.303E+02 0.422E+02   0.743E+01 0.305E+02 -.422E+02   -.183E+00 -.202E+00 -.602E-01   0.662E-02 -.661E-02 0.573E-03
   -.279E+01 -.875E+01 0.194E+02   0.281E+01 0.877E+01 -.193E+02   -.203E-01 -.122E-01 -.272E-01   -.384E-02 -.176E-02 -.669E-03
   0.136E+01 -.787E+00 0.135E+02   -.137E+01 0.788E+00 -.134E+02   0.445E-02 -.257E-02 -.178E-01   0.330E-02 -.190E-02 -.602E-03
   -.376E+01 0.264E+01 0.116E+02   0.376E+01 -.264E+01 -.116E+02   -.701E-02 -.548E-02 -.438E-01   0.250E-02 -.158E-02 0.268E-03
   -.148E+02 -.166E+01 0.161E+02   0.148E+02 0.170E+01 -.161E+02   -.625E-01 -.359E-01 -.515E-01   0.881E-03 -.348E-02 0.559E-03
   -.152E+02 -.116E+02 0.240E+02   0.153E+02 0.116E+02 -.240E+02   -.876E-01 -.495E-01 -.481E-01   0.421E-02 0.369E-02 -.221E-03
   0.279E+01 0.875E+01 0.194E+02   -.281E+01 -.877E+01 -.193E+02   0.203E-01 0.122E-01 -.272E-01   0.384E-02 0.176E-02 -.669E-03
   0.152E+02 0.116E+02 0.240E+02   -.153E+02 -.116E+02 -.240E+02   0.876E-01 0.495E-01 -.481E-01   -.421E-02 -.369E-02 -.221E-03
   0.148E+02 0.166E+01 0.161E+02   -.148E+02 -.170E+01 -.161E+02   0.625E-01 0.359E-01 -.515E-01   -.881E-03 0.348E-02 0.559E-03
   0.376E+01 -.264E+01 0.116E+02   -.376E+01 0.264E+01 -.116E+02   0.701E-02 0.548E-02 -.438E-01   -.250E-02 0.158E-02 0.268E-03
   -.136E+01 0.787E+00 0.135E+02   0.137E+01 -.788E+00 -.134E+02   -.445E-02 0.257E-02 -.178E-01   -.330E-02 0.190E-02 -.602E-03
   -.116E+01 0.123E+02 0.161E+02   0.116E+01 -.123E+02 -.161E+02   -.579E-02 0.218E-01 -.481E-01   -.324E-02 -.171E-03 0.131E-03
   0.724E+01 0.303E+02 0.422E+02   -.743E+01 -.305E+02 -.422E+02   0.183E+00 0.202E+00 -.602E-01   -.662E-02 0.661E-02 0.573E-03
   0.373E+02 0.786E+01 0.478E+02   -.379E+02 -.814E+01 -.481E+02   0.544E+00 0.281E+00 0.294E+00   0.217E-02 0.278E-02 0.258E-02
   0.193E+02 -.111E+02 0.218E+02   -.193E+02 0.112E+02 -.217E+02   0.533E-01 -.308E-01 -.427E-01   0.310E-03 -.183E-03 -.384E-03
   0.417E+01 -.193E+01 0.116E+02   -.417E+01 0.194E+01 -.116E+02   -.124E-02 -.881E-02 -.438E-01   -.262E-02 0.137E-02 0.263E-03
   -.312E+01 0.364E+01 0.126E+02   0.314E+01 -.365E+01 -.125E+02   -.157E-01 0.931E-02 -.181E-01   -.169E-02 0.133E-02 0.119E-02
   -.164E+02 0.215E+02 0.257E+02   0.166E+02 -.217E+02 -.256E+02   -.228E+00 0.175E+00 -.331E-01   0.659E-04 0.817E-03 0.705E-03
   -.237E+02 0.137E+02 0.941E+02   0.243E+02 -.140E+02 -.962E+02   -.639E+00 0.369E+00 0.205E+01   -.328E-02 0.190E-02 0.484E-02
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.285E-01 -.612E+00 0.294E+00   -.132E-02 -.327E-02 0.258E-02
   0.594E+01 -.136E+02 0.161E+02   -.594E+01 0.137E+02 -.161E+02   0.189E-03 -.721E-01 -.515E-01   -.345E-02 -.979E-03 0.552E-03
   -.629E+00 -.394E+01 0.126E+02   0.627E+00 0.394E+01 -.126E+02   -.651E-03 0.270E-02 -.129E-01   -.324E-02 0.109E-02 -.107E-03
   -.916E+01 0.529E+01 0.136E+02   0.920E+01 -.531E+01 -.136E+02   -.429E-01 0.248E-01 -.119E-01   -.839E-03 0.491E-03 -.353E-03
   -.268E+02 0.345E+01 0.257E+02   0.271E+02 -.356E+01 -.256E+02   -.266E+00 0.110E+00 -.331E-01   -.669E-03 -.460E-03 0.709E-03
   -.226E+02 -.214E+02 0.422E+02   0.227E+02 0.217E+02 -.422E+02   -.829E-01 -.260E+00 -.602E-01   -.903E-02 0.243E-02 0.575E-03
   -.244E+01 -.189E+02 0.240E+02   0.244E+01 0.190E+02 -.240E+02   0.985E-03 -.101E+00 -.481E-01   0.109E-02 0.550E-02 -.223E-03
   0.210E+01 -.121E+01 0.163E+02   -.210E+01 0.121E+01 -.163E+02   0.331E-02 -.191E-02 -.239E-01   -.418E-02 0.242E-02 -.859E-03
   0.310E+01 0.251E+01 0.126E+02   -.310E+01 -.251E+01 -.126E+02   -.266E-02 -.786E-03 -.129E-01   -.256E-02 0.227E-02 -.104E-03
   -.472E+01 0.883E+00 0.126E+02   0.473E+01 -.892E+00 -.125E+02   -.159E-01 0.891E-02 -.181E-01   -.200E-02 0.802E-03 0.120E-02
   -.112E+02 -.512E+01 0.161E+02   0.112E+02 0.513E+01 -.161E+02   -.218E-01 -.589E-02 -.481E-01   -.147E-02 0.289E-02 0.136E-03
   -.619E+01 -.679E+01 0.194E+02   0.619E+01 0.681E+01 -.193E+02   -.411E-03 -.237E-01 -.272E-01   0.396E-03 -.421E-02 -.668E-03
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.293E-03 0.996E+01   0.639E-13 0.941E-13 -.174E-12   0.137E-15 -.104E-15 -.100E+02   0.385E-07 -.426E-07 0.717E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85236      6.05937     12.26227         0.000000      0.000000      0.011424
      1.07516      6.50809     13.52186         0.002449     -0.001414      0.009158
      2.62956      5.61066     13.52186        -0.002449      0.001414      0.009158
      0.00009     -0.00005      9.90954         0.001504     -0.000868      0.000823
     -1.23472      2.13688      9.90823        -0.002618      0.006931      0.000543
     -2.47003      4.27668      9.92824         0.002995     -0.003402     -0.000120
     -3.70366      6.41545      9.93601         0.000897     -0.001427     -0.001204
     -4.93741      8.55382      9.92649         0.004906     -0.003793      0.000094
      2.46918      0.00005      9.92649         0.005738     -0.002352      0.000094
      1.23403      2.13692      9.91780        -0.000921     -0.007235     -0.000694
     -0.00275      4.27109      9.93039         0.012827     -0.004651     -0.002145
     -1.23816      6.41609      9.95240        -0.004713      0.000044     -0.000568
     -2.46875      8.55417      9.93775        -0.001104      0.000638      0.001198
      4.93794      0.00078      9.93601         0.001684     -0.000063     -0.001204
      3.70427      2.13692      9.93924         0.002884      0.003610     -0.000616
      2.47000      4.26880      9.96701         0.002563      0.000693     -0.003336
      1.22925      6.41913      9.97317         0.001481     -0.000855     -0.002287
     -0.00182      8.55748      9.95240        -0.002394      0.004060     -0.000568
      7.40699      0.00180      9.92824         0.004443     -0.000892     -0.000120
      6.17269      2.13918      9.93456         0.003377     -0.002092     -0.000166
      4.93927      4.27715      9.94722        -0.004481      0.002587      0.000973
      3.71187      6.41977      9.96701         0.000682     -0.002566     -0.003336
      2.47350      8.56009      9.93039         0.010441     -0.008783     -0.002145
      9.87776      0.00189      9.90823        -0.007311     -0.001198      0.000543
      8.64195      2.13940      9.91940         0.006181     -0.003569      0.000843
      7.40752      4.27796      9.93456         0.003501     -0.001879     -0.000166
      6.17526      6.41681      9.93924        -0.001685     -0.004302     -0.000616
      4.94014      8.55610      9.91780         0.005805      0.004415     -0.000694
     -0.00107      1.42464      9.90823         0.007311      0.001198      0.000543
     -1.23541      3.56265      9.91780        -0.005805     -0.004415     -0.000694
     -2.47054      5.70194      9.93924         0.001685      0.004302     -0.000616
     -3.70279      7.84079      9.93456        -0.003501      0.001879     -0.000166
     -4.93723      9.97934      9.91940        -0.006181      0.003569      0.000843
      2.46970      1.42473      9.92824        -0.004443      0.000892     -0.000120
      1.23123      3.55866      9.93039        -0.010441      0.008783     -0.002145
     -0.00714      5.69898      9.96701        -0.000682      0.002566     -0.003336
     -1.23454      7.84160      9.94722         0.004481     -0.002587      0.000973
     -2.46796      9.97957      9.93456        -0.003377      0.002092     -0.000166
      4.93875      1.42575      9.93601        -0.001684      0.000063     -0.001204
      3.70655      3.56126      9.95240         0.002394     -0.004060     -0.000568
      2.47548      5.69962      9.97317        -0.001481      0.000855     -0.002287
      1.23472      7.84995      9.96701        -0.002563     -0.000693     -0.003336
      0.00046      9.98183      9.93924        -0.002884     -0.003610     -0.000616
      7.40751      1.42648      9.92649        -0.005738      0.002352      0.000094
      6.17347      3.56458      9.93775         0.001104     -0.000638      0.001198
      4.94288      5.70266      9.95240         0.004713     -0.000044     -0.000568
      3.70748      7.84766      9.93039        -0.012827      0.004651     -0.002145
      2.47070      9.98183      9.91780         0.000921      0.007235     -0.000694
      9.87660      1.42658      9.90954        -0.001504      0.000868      0.000823
      8.64214      3.56493      9.92649        -0.004906      0.003793      0.000094
      7.40839      5.70330      9.93601        -0.000897      0.001427     -0.001204
      6.17476      7.84207      9.92824        -0.002995      0.003402     -0.000120
      4.93944      9.98187      9.90823         0.002618     -0.006931      0.000543
 -----------------------------------------------------------------------------------
    total drift:                               -0.001807      0.000293     -0.009056


--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.000104  1 .order   -0.000146   -0.000140   -0.000152
  (g-gl).g = 0.149E-03      g.g   = 0.181E-03  gl.gl    = 0.197E-02
 g(Force)  = 0.575E-04   g(Stress)= 0.123E-03 ortho     = 0.116E-04
 gamma     =   0.07566
 trial     =   0.77304
 opt step  =   3.09217  (harmonic =   3.09217) maximal distance =0.00259737
 next E    =  -471.726977   (d E  =  -0.00065)


--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.94: CPU time    1.95
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.35
    ORTHCH:  VPU time  181.18: CPU time   90.65
     LOOP+:  VPU time 5542.86: CPU time 2856.03


----------------------------------------- Iteration   14(   1)  ---------------------------------------


    POTLOK:  VPU time    8.42: CPU time    8.42
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1799.90: CPU time  926.33
 BZINTS: Fermi energy: -3.203413;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  112.76: CPU time   56.95
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1921.63: CPU time  992.23

 eigenvalue-minimisations  :  6000
 total energy-change (2. order) :-0.4717268E+03  (-0.7550063E-02)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9610441 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.13479E-01    rms(broyden)= 0.13477E-01
  rms(prec ) = 0.15371E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34150.20660511
  -1/2 Hartree   DENC   =    -41034.78388364
  -V(xc)+E(xc)   XCENC  =       726.57193097
  PAW double counting   =      4093.80829680    -4132.15815632
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2480.81144097
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72679445 eV

  energy without entropy =     -471.72679445  energy(sigma->0) =     -471.72679445


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(   2)  ---------------------------------------


    POTLOK:  VPU time    8.84: CPU time    8.83
    SETDIJ:  VPU time    0.33: CPU time    0.34
    EDDAV :  VPU time 1945.46: CPU time 1003.39
 BZINTS: Fermi energy: -3.206435;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  109.95: CPU time   55.46
    MIXING:  VPU time    0.17: CPU time    0.18
    ------------------------------------------
      LOOP:  VPU time 2064.81: CPU time 1068.23

 eigenvalue-minimisations  :  6672
 total energy-change (2. order) : 0.7529254E-03  (-0.2002298E-03)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9636560 magnetization   -0.0000002

 Broyden mixing:
  rms(total) = 0.80820E-02    rms(broyden)= 0.80816E-02
  rms(prec ) = 0.92507E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9543
  1.9543

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34150.20660511
  -1/2 Hartree   DENC   =    -41036.44729981
  -V(xc)+E(xc)   XCENC  =       726.62779458
  PAW double counting   =      4095.29221106    -4133.64881054
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2479.19639552
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72604153 eV

  energy without entropy =     -471.72604153  energy(sigma->0) =     -471.72604153


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(   3)  ---------------------------------------


    POTLOK:  VPU time    9.01: CPU time    9.01
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1823.23: CPU time  939.07
 BZINTS: Fermi energy: -3.208866;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  112.77: CPU time   56.90
    MIXING:  VPU time    0.19: CPU time    0.19
    ------------------------------------------
      LOOP:  VPU time 1945.60: CPU time 1005.54

 eigenvalue-minimisations  :  6104
 total energy-change (2. order) : 0.5101490E-03  (-0.1020070E-03)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9617984 magnetization    0.0000002

 Broyden mixing:
  rms(total) = 0.18276E-02    rms(broyden)= 0.18268E-02
  rms(prec ) = 0.22120E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4967
  2.1229  0.8705

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34150.20660511
  -1/2 Hartree   DENC   =    -41038.74997334
  -V(xc)+E(xc)   XCENC  =       726.69722199
  PAW double counting   =      4097.05285994    -4135.41391882
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2476.95817985
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72553138 eV

  energy without entropy =     -471.72553138  energy(sigma->0) =     -471.72553138


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(   4)  ---------------------------------------


    POTLOK:  VPU time    9.00: CPU time    9.00
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1530.94: CPU time  788.77
 BZINTS: Fermi energy: -3.208672;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1540.34: CPU time  798.14

 eigenvalue-minimisations  :  4784
 total energy-change (2. order) : 0.2069408E-04  (-0.6938638E-05)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9617984 magnetization    0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34150.20660511
  -1/2 Hartree   DENC   =    -41039.15046691
  -V(xc)+E(xc)   XCENC  =       726.70463570
  PAW double counting   =      4096.99115994    -4135.34998211
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2476.56731601
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72551068 eV

  energy without entropy =     -471.72551068  energy(sigma->0) =     -471.72551068


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2221       2 -39.5386       3 -39.5387       4 -58.3172       5 -58.3209
       6 -58.3232       7 -58.3179       8 -58.3187       9 -58.3187      10 -58.3248
      11 -58.3911      12 -58.3548      13 -58.3261      14 -58.3179      15 -58.3276
      16 -58.5454      17 -58.7343      18 -58.3549      19 -58.3232      20 -58.3235
      21 -58.3609      22 -58.5454      23 -58.3911      24 -58.3210      25 -58.3265
      26 -58.3235      27 -58.3276      28 -58.3248      29 -58.3208      30 -58.3247
      31 -58.3274      32 -58.3234      33 -58.3264      34 -58.3231      35 -58.3910
      36 -58.5453      37 -58.3608      38 -58.3234      39 -58.3178      40 -58.3547
      41 -58.7341      42 -58.5454      43 -58.3275      44 -58.3186      45 -58.3260
      46 -58.3547      47 -58.3910      48 -58.3247      49 -58.3171      50 -58.3186
      51 -58.3178      52 -58.3231      53 -58.3208
 
 
 
 E-fermi :  -3.2087     XC(G=0):  -2.3825     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4389      1.00000
      2     -21.6147      1.00000
      3     -21.4940      1.00000
      4     -21.4844      1.00000
      5     -21.4531      1.00000
      6     -21.4522      1.00000
      7     -21.4417      1.00000
      8     -19.7185      1.00000
      9     -19.6636      1.00000
     10     -19.6387      1.00000
     11     -19.6310      1.00000
     12     -19.6252      1.00000
     13     -19.6219      1.00000
     14     -18.8015      1.00000
     15     -18.7652      1.00000
     16     -18.7434      1.00000
     17     -18.7340      1.00000
     18     -18.7284      1.00000
     19     -18.7253      1.00000
     20     -16.6400      1.00000
     21     -16.6185      1.00000
     22     -16.5943      1.00000
     23     -16.5890      1.00000
     24     -16.5631      1.00000
     25     -16.5609      1.00000
     26     -15.6235      1.00000
     27     -15.6158      1.00000
     28     -15.6105      1.00000
     29     -15.5736      1.00000
     30     -15.5733      1.00000
     31     -15.5680      1.00000
     32     -14.2683      1.00000
     33     -14.2575      1.00000
     34     -14.2503      1.00000
     35     -14.2459      1.00000
     36     -14.2294      1.00000
     37     -14.2293      1.00000
     38     -11.9138      1.00000
     39     -11.8872      1.00000
     40     -11.8792      1.00000
     41     -11.8684      1.00000
     42     -11.8503      1.00000
     43     -11.8496      1.00000
     44     -11.7801      1.00000
     45     -11.7770      1.00000
     46     -11.7436      1.00000
     47     -11.7372      1.00000
     48     -11.7336      1.00000
     49     -11.7328      1.00000
     50     -10.6854      1.00000
     51     -10.3950      1.00000
     52     -10.3937      1.00000
     53     -10.3855      1.00000
     54     -10.3756      1.00000
     55     -10.3664      1.00000
     56     -10.3619      1.00000
     57      -9.9120      1.00000
     58      -9.4603      1.00000
     59      -9.4150      1.00000
     60      -9.3721      1.00000
     61      -9.3718      1.00000
     62      -9.3637      1.00000
     63      -9.1502      1.00000
     64      -9.1300      1.00000
     65      -9.1282      1.00000
     66      -9.0935      1.00000
     67      -9.0797      1.00000
     68      -9.0789      1.00000
     69      -9.0733      1.00000
     70      -9.0729      1.00000
     71      -9.0688      1.00000
     72      -9.0413      1.00000
     73      -9.0348      1.00000
     74      -9.0331      1.00000
     75      -8.1359      1.00000
     76      -7.7479      1.00000
     77      -7.4776      1.00000
     78      -7.4733      1.00000
     79      -7.4570      1.00000
     80      -7.4413      1.00000
     81      -7.4325      1.00000
     82      -7.4090      1.00000
     83      -7.3190      1.00000
     84      -7.2809      1.00000
     85      -7.2664      1.00000
     86      -7.2563      1.00000
     87      -7.1584      1.00000
     88      -7.0529      1.00000
     89      -6.4540      1.00000
     90      -6.4212      1.00000
     91      -6.4059      1.00000
     92      -6.3718      1.00000
     93      -6.3620      1.00000
     94      -6.3477      1.00000
     95      -5.9658      1.00000
     96      -5.9605      1.00000
     97      -4.8089      1.00000
     98      -4.5497      1.00000
     99      -4.4880      1.00000
    100      -4.4799      1.00000
    101      -4.3897      1.00000
    102      -4.3877      1.00000
    103      -4.2707      1.00000
    104      -4.1923      1.00000
    105      -3.7443      1.00000
    106      -3.4824      1.00000
    107      -1.8704      0.00000
    108      -1.6749      0.00000
    109      -1.6260      0.00000
    110      -1.5943      0.00000
    111      -1.5798      0.00000
    112      -1.5785      0.00000
    113      -0.4360      0.00000
    114       0.1431      0.00000
    115       0.1872      0.00000
    116       0.2506      0.00000
    117       0.2643      0.00000
    118       0.2697      0.00000
    119       0.4707      0.00000
    120       0.5125      0.00000
    121       1.2089      0.00000
    122       1.2769      0.00000
    123       1.4806      0.00000
    124       1.7389      0.00000
    125       1.7402      0.00000
    126       1.7416      0.00000
    127       1.7900      0.00000
    128       1.8151      0.00000
    129       1.9538      0.00000
    130       1.9561      0.00000
    131       1.9751      0.00000
    132       1.9896      0.00000
    133       1.9954      0.00000
    134       2.0468      0.00000
    135       2.1980      0.00000
    136       2.3154      0.00000
    137       2.5401      0.00000
    138       2.5435      0.00000
    139       2.5612      0.00000
    140       2.6566      0.00000
    141       2.8934      0.00000
    142       3.0252      0.00000
    143       3.0520      0.00000
    144       3.0594      0.00000
    145       3.0866      0.00000
    146       3.0897      0.00000
    147       3.0941      0.00000
    148       3.2282      0.00000
    149       3.4140      0.00000
    150       3.4668      0.00000
    151       3.7963      0.00000
    152       3.9155      0.00000
    153       3.9194      0.00000
    154       3.9232      0.00000
    155       3.9338      0.00000
    156       3.9684      0.00000
    157       4.1406      0.00000
    158       4.2258      0.00000
    159       4.2354      0.00000
    160       4.2554      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4022      1.00000
      2     -21.8427      1.00000
      3     -21.6503      1.00000
      4     -21.6229      1.00000
      5     -21.2865      1.00000
      6     -21.2475      1.00000
      7     -21.0686      1.00000
      8     -20.1788      1.00000
      9     -20.1409      1.00000
     10     -19.6205      1.00000
     11     -19.6081      1.00000
     12     -19.4279      1.00000
     13     -19.0996      1.00000
     14     -19.0729      1.00000
     15     -19.0593      1.00000
     16     -19.0508      1.00000
     17     -18.3716      1.00000
     18     -18.3618      1.00000
     19     -18.0282      1.00000
     20     -17.0771      1.00000
     21     -17.0390      1.00000
     22     -16.9520      1.00000
     23     -16.9499      1.00000
     24     -16.4759      1.00000
     25     -16.4742      1.00000
     26     -15.6225      1.00000
     27     -15.6189      1.00000
     28     -15.2614      1.00000
     29     -15.2508      1.00000
     30     -15.1944      1.00000
     31     -15.1088      1.00000
     32     -15.0798      1.00000
     33     -14.7083      1.00000
     34     -14.7050      1.00000
     35     -13.7356      1.00000
     36     -13.7314      1.00000
     37     -13.2439      1.00000
     38     -12.6229      1.00000
     39     -12.5909      1.00000
     40     -12.4646      1.00000
     41     -12.4601      1.00000
     42     -12.1163      1.00000
     43     -12.1099      1.00000
     44     -11.7262      1.00000
     45     -11.6958      1.00000
     46     -11.2427      1.00000
     47     -11.2331      1.00000
     48     -11.0263      1.00000
     49     -11.0178      1.00000
     50     -10.9344      1.00000
     51     -10.9145      1.00000
     52     -10.6404      1.00000
     53     -10.1629      1.00000
     54     -10.1607      1.00000
     55     -10.0990      1.00000
     56     -10.0073      1.00000
     57      -9.7095      1.00000
     58      -9.7037      1.00000
     59      -9.6646      1.00000
     60      -9.6010      1.00000
     61      -9.5818      1.00000
     62      -9.5677      1.00000
     63      -9.3142      1.00000
     64      -9.3108      1.00000
     65      -9.2832      1.00000
     66      -9.2446      1.00000
     67      -9.1463      1.00000
     68      -9.1217      1.00000
     69      -9.1194      1.00000
     70      -8.9488      1.00000
     71      -8.8799      1.00000
     72      -8.6077      1.00000
     73      -8.5977      1.00000
     74      -8.2431      1.00000
     75      -8.1066      1.00000
     76      -7.9203      1.00000
     77      -7.8701      1.00000
     78      -7.7795      1.00000
     79      -7.7616      1.00000
     80      -7.6985      1.00000
     81      -7.5646      1.00000
     82      -7.3475      1.00000
     83      -7.3275      1.00000
     84      -7.2136      1.00000
     85      -7.1292      1.00000
     86      -7.0386      1.00000
     87      -7.0174      1.00000
     88      -6.7120      1.00000
     89      -6.6855      1.00000
     90      -6.6474      1.00000
     91      -6.6058      1.00000
     92      -6.1221      1.00000
     93      -6.0675      1.00000
     94      -6.0358      1.00000
     95      -6.0197      1.00000
     96      -5.7888      1.00000
     97      -4.9779      1.00000
     98      -4.8394      1.00000
     99      -4.7522      1.00000
    100      -4.6854      1.00000
    101      -4.4730      1.00000
    102      -4.2077      1.00000
    103      -4.1792      1.00000
    104      -4.1328      1.00000
    105      -3.7351      1.00000
    106      -3.4927      1.00000
    107      -1.8758      0.00000
    108      -1.8117      0.00000
    109      -1.5292      0.00000
    110      -1.3792      0.00000
    111      -1.3273      0.00000
    112      -1.2911      0.00000
    113      -0.7252      0.00000
    114      -0.3812      0.00000
    115      -0.2526      0.00000
    116       0.0287      0.00000
    117       0.5259      0.00000
    118       0.6918      0.00000
    119       0.7416      0.00000
    120       1.0380      0.00000
    121       1.0950      0.00000
    122       1.1325      0.00000
    123       1.2182      0.00000
    124       1.3454      0.00000
    125       1.4883      0.00000
    126       1.5342      0.00000
    127       1.6858      0.00000
    128       1.7916      0.00000
    129       1.8518      0.00000
    130       1.8752      0.00000
    131       2.0645      0.00000
    132       2.1394      0.00000
    133       2.2037      0.00000
    134       2.2555      0.00000
    135       2.4658      0.00000
    136       2.5316      0.00000
    137       2.6243      0.00000
    138       2.7415      0.00000
    139       2.7724      0.00000
    140       2.8190      0.00000
    141       2.8458      0.00000
    142       2.8639      0.00000
    143       2.9199      0.00000
    144       3.0154      0.00000
    145       3.1088      0.00000
    146       3.2602      0.00000
    147       3.3683      0.00000
    148       3.4166      0.00000
    149       3.4318      0.00000
    150       3.5799      0.00000
    151       3.6168      0.00000
    152       3.6418      0.00000
    153       3.6843      0.00000
    154       3.8605      0.00000
    155       3.9082      0.00000
    156       3.9710      0.00000
    157       4.0152      0.00000
    158       4.1917      0.00000
    159       4.2174      0.00000
    160       4.2265      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2961      1.00000
      2     -22.0904      1.00000
      3     -21.7288      1.00000
      4     -21.6974      1.00000
      5     -20.9910      1.00000
      6     -20.9509      1.00000
      7     -20.6234      1.00000
      8     -20.5863      1.00000
      9     -20.5809      1.00000
     10     -20.0436      1.00000
     11     -19.5154      1.00000
     12     -19.5023      1.00000
     13     -19.3188      1.00000
     14     -19.3117      1.00000
     15     -18.4575      1.00000
     16     -18.4210      1.00000
     17     -17.9326      1.00000
     18     -17.9224      1.00000
     19     -17.7707      1.00000
     20     -17.7353      1.00000
     21     -17.4455      1.00000
     22     -17.4379      1.00000
     23     -17.3485      1.00000
     24     -16.4728      1.00000
     25     -16.4713      1.00000
     26     -15.9781      1.00000
     27     -15.4235      1.00000
     28     -15.4192      1.00000
     29     -15.1062      1.00000
     30     -15.1025      1.00000
     31     -14.8628      1.00000
     32     -14.8526      1.00000
     33     -14.3000      1.00000
     34     -14.2653      1.00000
     35     -13.4457      1.00000
     36     -13.4113      1.00000
     37     -13.1860      1.00000
     38     -13.1810      1.00000
     39     -12.9935      1.00000
     40     -12.9878      1.00000
     41     -12.6209      1.00000
     42     -12.6161      1.00000
     43     -12.2053      1.00000
     44     -11.5853      1.00000
     45     -11.5522      1.00000
     46     -11.3191      1.00000
     47     -11.2972      1.00000
     48     -11.1491      1.00000
     49     -10.6817      1.00000
     50     -10.6696      1.00000
     51     -10.5618      1.00000
     52     -10.3312      1.00000
     53     -10.3257      1.00000
     54     -10.1792      1.00000
     55     -10.1225      1.00000
     56     -10.1196      1.00000
     57      -9.8075      1.00000
     58      -9.7722      1.00000
     59      -9.7608      1.00000
     60      -9.7081      1.00000
     61      -9.7044      1.00000
     62      -9.6721      1.00000
     63      -9.3613      1.00000
     64      -9.3595      1.00000
     65      -9.3235      1.00000
     66      -9.0489      1.00000
     67      -8.9699      1.00000
     68      -8.9555      1.00000
     69      -8.8088      1.00000
     70      -8.6024      1.00000
     71      -8.5658      1.00000
     72      -8.4064      1.00000
     73      -8.3738      1.00000
     74      -8.3293      1.00000
     75      -8.3139      1.00000
     76      -8.2644      1.00000
     77      -8.2620      1.00000
     78      -8.2429      1.00000
     79      -7.9121      1.00000
     80      -7.6564      1.00000
     81      -7.5530      1.00000
     82      -7.3954      1.00000
     83      -7.3548      1.00000
     84      -7.2373      1.00000
     85      -7.1051      1.00000
     86      -7.0452      1.00000
     87      -6.9422      1.00000
     88      -6.8545      1.00000
     89      -6.6170      1.00000
     90      -6.5648      1.00000
     91      -6.2738      1.00000
     92      -6.0496      1.00000
     93      -5.9587      1.00000
     94      -5.6682      1.00000
     95      -5.6313      1.00000
     96      -5.4680      1.00000
     97      -5.3250      1.00000
     98      -5.2851      1.00000
     99      -5.2186      1.00000
    100      -5.2026      1.00000
    101      -4.5123      1.00000
    102      -4.2121      1.00000
    103      -4.0651      1.00000
    104      -3.9947      1.00000
    105      -3.7006      1.00000
    106      -3.5031      1.00000
    107      -1.9484      0.00000
    108      -1.9010      0.00000
    109      -1.3436      0.00000
    110      -1.0901      0.00000
    111      -1.0604      0.00000
    112      -0.8054      0.00000
    113      -0.6804      0.00000
    114      -0.6518      0.00000
    115      -0.6099      0.00000
    116      -0.1160      0.00000
    117       0.2137      0.00000
    118       0.3214      0.00000
    119       0.6632      0.00000
    120       0.8597      0.00000
    121       1.1175      0.00000
    122       1.1946      0.00000
    123       1.2966      0.00000
    124       1.3861      0.00000
    125       1.5384      0.00000
    126       1.5674      0.00000
    127       1.6372      0.00000
    128       1.7765      0.00000
    129       1.8329      0.00000
    130       2.0091      0.00000
    131       2.1083      0.00000
    132       2.3132      0.00000
    133       2.3485      0.00000
    134       2.3520      0.00000
    135       2.4917      0.00000
    136       2.5959      0.00000
    137       2.6917      0.00000
    138       2.7447      0.00000
    139       2.8130      0.00000
    140       2.8490      0.00000
    141       3.0120      0.00000
    142       3.0203      0.00000
    143       3.1104      0.00000
    144       3.2187      0.00000
    145       3.3172      0.00000
    146       3.3710      0.00000
    147       3.3894      0.00000
    148       3.5415      0.00000
    149       3.5492      0.00000
    150       3.5676      0.00000
    151       3.6256      0.00000
    152       3.6521      0.00000
    153       3.7405      0.00000
    154       3.7604      0.00000
    155       3.7905      0.00000
    156       3.8528      0.00000
    157       3.8748      0.00000
    158       3.9387      0.00000
    159       4.1612      0.00000
    160       4.1891      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3301      1.00000
      2     -21.9751      1.00000
      3     -21.9061      1.00000
      4     -21.3929      1.00000
      5     -21.3642      1.00000
      6     -20.8511      1.00000
      7     -20.7859      1.00000
      8     -20.6355      1.00000
      9     -20.0888      1.00000
     10     -20.0842      1.00000
     11     -19.7277      1.00000
     12     -19.7034      1.00000
     13     -19.0065      1.00000
     14     -19.0022      1.00000
     15     -18.6517      1.00000
     16     -18.6364      1.00000
     17     -18.4714      1.00000
     18     -17.6830      1.00000
     19     -17.6337      1.00000
     20     -17.6308      1.00000
     21     -17.5887      1.00000
     22     -17.1366      1.00000
     23     -17.1144      1.00000
     24     -16.9734      1.00000
     25     -16.0130      1.00000
     26     -15.9380      1.00000
     27     -15.5961      1.00000
     28     -15.5959      1.00000
     29     -15.2923      1.00000
     30     -14.8749      1.00000
     31     -14.8469      1.00000
     32     -14.5864      1.00000
     33     -14.5442      1.00000
     34     -14.1767      1.00000
     35     -14.1640      1.00000
     36     -13.1586      1.00000
     37     -13.1111      1.00000
     38     -13.0369      1.00000
     39     -13.0258      1.00000
     40     -12.7162      1.00000
     41     -12.7129      1.00000
     42     -12.3520      1.00000
     43     -12.3210      1.00000
     44     -11.6431      1.00000
     45     -11.6294      1.00000
     46     -11.5790      1.00000
     47     -10.9574      1.00000
     48     -10.9251      1.00000
     49     -10.6402      1.00000
     50     -10.6323      1.00000
     51     -10.5558      1.00000
     52     -10.5090      1.00000
     53     -10.5088      1.00000
     54     -10.4491      1.00000
     55     -10.3677      1.00000
     56     -10.1091      1.00000
     57      -9.9137      1.00000
     58      -9.6161      1.00000
     59      -9.5628      1.00000
     60      -9.4608      1.00000
     61      -9.4202      1.00000
     62      -9.4132      1.00000
     63      -9.3854      1.00000
     64      -9.3851      1.00000
     65      -9.2974      1.00000
     66      -9.1743      1.00000
     67      -9.1489      1.00000
     68      -9.1186      1.00000
     69      -8.8721      1.00000
     70      -8.8653      1.00000
     71      -8.8234      1.00000
     72      -8.6057      1.00000
     73      -8.4886      1.00000
     74      -8.2048      1.00000
     75      -8.1700      1.00000
     76      -8.0162      1.00000
     77      -7.9703      1.00000
     78      -7.8590      1.00000
     79      -7.8469      1.00000
     80      -7.7096      1.00000
     81      -7.7021      1.00000
     82      -7.6303      1.00000
     83      -7.4543      1.00000
     84      -7.3079      1.00000
     85      -7.2570      1.00000
     86      -6.9121      1.00000
     87      -6.8988      1.00000
     88      -6.5958      1.00000
     89      -6.5585      1.00000
     90      -6.4139      1.00000
     91      -6.2629      1.00000
     92      -6.2413      1.00000
     93      -6.2077      1.00000
     94      -6.0285      1.00000
     95      -5.5543      1.00000
     96      -5.4942      1.00000
     97      -5.3551      1.00000
     98      -5.2244      1.00000
     99      -4.9884      1.00000
    100      -4.7383      1.00000
    101      -4.6843      1.00000
    102      -4.3916      1.00000
    103      -4.2073      1.00000
    104      -3.8756      1.00000
    105      -3.5547      1.00000
    106      -3.5149      1.00000
    107      -2.2580      0.00000
    108      -1.4621      0.00000
    109      -1.3730      0.00000
    110      -1.2447      0.00000
    111      -1.1017      0.00000
    112      -0.9502      0.00000
    113      -0.8689      0.00000
    114      -0.8086      0.00000
    115      -0.1480      0.00000
    116       0.1097      0.00000
    117       0.2373      0.00000
    118       0.3721      0.00000
    119       0.6191      0.00000
    120       0.8291      0.00000
    121       0.9327      0.00000
    122       1.0394      0.00000
    123       1.1991      0.00000
    124       1.4197      0.00000
    125       1.4960      0.00000
    126       1.7618      0.00000
    127       1.7793      0.00000
    128       1.8432      0.00000
    129       1.9108      0.00000
    130       2.0162      0.00000
    131       2.1264      0.00000
    132       2.1689      0.00000
    133       2.3682      0.00000
    134       2.4480      0.00000
    135       2.5230      0.00000
    136       2.6012      0.00000
    137       2.6316      0.00000
    138       2.6595      0.00000
    139       2.7402      0.00000
    140       2.7794      0.00000
    141       2.8987      0.00000
    142       3.0397      0.00000
    143       3.1506      0.00000
    144       3.1916      0.00000
    145       3.2240      0.00000
    146       3.2910      0.00000
    147       3.2913      0.00000
    148       3.4190      0.00000
    149       3.4444      0.00000
    150       3.6531      0.00000
    151       3.6648      0.00000
    152       3.7042      0.00000
    153       3.8241      0.00000
    154       3.8707      0.00000
    155       3.9008      0.00000
    156       3.9648      0.00000
    157       3.9917      0.00000
    158       4.0059      0.00000
    159       4.0275      0.00000
    160       4.0420      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2229      1.00000
      2     -22.1301      1.00000
      3     -21.9693      1.00000
      4     -21.4167      1.00000
      5     -21.0617      1.00000
      6     -21.0257      1.00000
      7     -20.5124      1.00000
      8     -20.4728      1.00000
      9     -20.3059      1.00000
     10     -20.2872      1.00000
     11     -19.9691      1.00000
     12     -19.9034      1.00000
     13     -18.8935      1.00000
     14     -18.8248      1.00000
     15     -18.3626      1.00000
     16     -18.3166      1.00000
     17     -18.1629      1.00000
     18     -18.1463      1.00000
     19     -17.8360      1.00000
     20     -17.7991      1.00000
     21     -17.2599      1.00000
     22     -17.2524      1.00000
     23     -17.1716      1.00000
     24     -17.1433      1.00000
     25     -16.1223      1.00000
     26     -15.8956      1.00000
     27     -15.8815      1.00000
     28     -15.8428      1.00000
     29     -15.2429      1.00000
     30     -14.5645      1.00000
     31     -14.5366      1.00000
     32     -14.2863      1.00000
     33     -13.9729      1.00000
     34     -13.9651      1.00000
     35     -13.8284      1.00000
     36     -13.8130      1.00000
     37     -13.6221      1.00000
     38     -13.5790      1.00000
     39     -13.3819      1.00000
     40     -12.6460      1.00000
     41     -12.1880      1.00000
     42     -12.1408      1.00000
     43     -12.0815      1.00000
     44     -12.0297      1.00000
     45     -11.6771      1.00000
     46     -11.6638      1.00000
     47     -11.1462      1.00000
     48     -11.1263      1.00000
     49     -10.8030      1.00000
     50     -10.7402      1.00000
     51     -10.5375      1.00000
     52     -10.2163      1.00000
     53     -10.2138      1.00000
     54     -10.1751      1.00000
     55     -10.0263      1.00000
     56     -10.0138      1.00000
     57      -9.9994      1.00000
     58      -9.8099      1.00000
     59      -9.8049      1.00000
     60      -9.7697      1.00000
     61      -9.7639      1.00000
     62      -9.4626      1.00000
     63      -9.4267      1.00000
     64      -9.0889      1.00000
     65      -9.0800      1.00000
     66      -9.0487      1.00000
     67      -8.9603      1.00000
     68      -8.8865      1.00000
     69      -8.7193      1.00000
     70      -8.7066      1.00000
     71      -8.5730      1.00000
     72      -8.5504      1.00000
     73      -8.5068      1.00000
     74      -8.4708      1.00000
     75      -8.4589      1.00000
     76      -8.2689      1.00000
     77      -8.1332      1.00000
     78      -8.0519      1.00000
     79      -7.9239      1.00000
     80      -7.8705      1.00000
     81      -7.6222      1.00000
     82      -7.5539      1.00000
     83      -7.4956      1.00000
     84      -7.2699      1.00000
     85      -7.0017      1.00000
     86      -6.9287      1.00000
     87      -6.8894      1.00000
     88      -6.5368      1.00000
     89      -6.4920      1.00000
     90      -6.4682      1.00000
     91      -6.4186      1.00000
     92      -5.9898      1.00000
     93      -5.9040      1.00000
     94      -5.7900      1.00000
     95      -5.7682      1.00000
     96      -5.4368      1.00000
     97      -5.3359      1.00000
     98      -5.2353      1.00000
     99      -5.2225      1.00000
    100      -5.1976      1.00000
    101      -4.6986      1.00000
    102      -4.4256      1.00000
    103      -4.2139      1.00000
    104      -3.8385      1.00000
    105      -3.5341      1.00000
    106      -3.2811      1.00000
    107      -2.5345      0.00000
    108      -1.4634      0.00000
    109      -1.2691      0.00000
    110      -1.2075      0.00000
    111      -1.1757      0.00000
    112      -0.7251      0.00000
    113      -0.5069      0.00000
    114      -0.4165      0.00000
    115      -0.3416      0.00000
    116      -0.1508      0.00000
    117      -0.0060      0.00000
    118       0.1861      0.00000
    119       0.5556      0.00000
    120       0.6087      0.00000
    121       0.7684      0.00000
    122       0.8748      0.00000
    123       1.0985      0.00000
    124       1.4493      0.00000
    125       1.5977      0.00000
    126       1.7867      0.00000
    127       1.8849      0.00000
    128       2.0582      0.00000
    129       2.0777      0.00000
    130       2.1406      0.00000
    131       2.1814      0.00000
    132       2.2765      0.00000
    133       2.3226      0.00000
    134       2.4519      0.00000
    135       2.5575      0.00000
    136       2.6186      0.00000
    137       2.8118      0.00000
    138       2.8651      0.00000
    139       2.8788      0.00000
    140       2.9774      0.00000
    141       2.9833      0.00000
    142       3.1011      0.00000
    143       3.1631      0.00000
    144       3.2048      0.00000
    145       3.2446      0.00000
    146       3.2511      0.00000
    147       3.2883      0.00000
    148       3.3214      0.00000
    149       3.3675      0.00000
    150       3.3945      0.00000
    151       3.4907      0.00000
    152       3.5787      0.00000
    153       3.6931      0.00000
    154       3.7041      0.00000
    155       3.7254      0.00000
    156       3.8629      0.00000
    157       3.8973      0.00000
    158       3.9593      0.00000
    159       4.0680      0.00000
    160       4.1630      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3299      1.00000
      2     -21.9767      1.00000
      3     -21.9047      1.00000
      4     -21.3967      1.00000
      5     -21.3602      1.00000
      6     -20.8513      1.00000
      7     -20.7851      1.00000
      8     -20.6368      1.00000
      9     -20.1006      1.00000
     10     -20.0722      1.00000
     11     -19.7298      1.00000
     12     -19.7008      1.00000
     13     -19.0202      1.00000
     14     -18.9895      1.00000
     15     -18.6593      1.00000
     16     -18.6273      1.00000
     17     -18.4716      1.00000
     18     -17.6705      1.00000
     19     -17.6570      1.00000
     20     -17.6204      1.00000
     21     -17.5883      1.00000
     22     -17.1461      1.00000
     23     -17.1067      1.00000
     24     -16.9727      1.00000
     25     -16.0150      1.00000
     26     -15.9350      1.00000
     27     -15.6083      1.00000
     28     -15.5852      1.00000
     29     -15.2899      1.00000
     30     -14.8851      1.00000
     31     -14.8386      1.00000
     32     -14.5832      1.00000
     33     -14.5458      1.00000
     34     -14.1725      1.00000
     35     -14.1686      1.00000
     36     -13.1692      1.00000
     37     -13.1055      1.00000
     38     -13.0316      1.00000
     39     -13.0269      1.00000
     40     -12.7258      1.00000
     41     -12.7031      1.00000
     42     -12.3503      1.00000
     43     -12.3230      1.00000
     44     -11.6385      1.00000
     45     -11.6299      1.00000
     46     -11.5808      1.00000
     47     -10.9495      1.00000
     48     -10.9313      1.00000
     49     -10.6760      1.00000
     50     -10.5968      1.00000
     51     -10.5806      1.00000
     52     -10.5090      1.00000
     53     -10.4969      1.00000
     54     -10.4443      1.00000
     55     -10.3648      1.00000
     56     -10.1135      1.00000
     57      -9.9080      1.00000
     58      -9.6166      1.00000
     59      -9.5598      1.00000
     60      -9.4626      1.00000
     61      -9.4250      1.00000
     62      -9.4179      1.00000
     63      -9.3879      1.00000
     64      -9.3792      1.00000
     65      -9.2768      1.00000
     66      -9.1719      1.00000
     67      -9.1470      1.00000
     68      -9.1250      1.00000
     69      -8.8732      1.00000
     70      -8.8667      1.00000
     71      -8.8111      1.00000
     72      -8.6060      1.00000
     73      -8.5348      1.00000
     74      -8.2001      1.00000
     75      -8.1775      1.00000
     76      -8.0834      1.00000
     77      -7.8630      1.00000
     78      -7.8444      1.00000
     79      -7.8299      1.00000
     80      -7.7161      1.00000
     81      -7.7016      1.00000
     82      -7.6049      1.00000
     83      -7.5347      1.00000
     84      -7.3578      1.00000
     85      -7.1718      1.00000
     86      -6.9114      1.00000
     87      -6.9004      1.00000
     88      -6.5989      1.00000
     89      -6.5596      1.00000
     90      -6.4098      1.00000
     91      -6.3082      1.00000
     92      -6.2541      1.00000
     93      -6.2073      1.00000
     94      -6.0119      1.00000
     95      -5.5374      1.00000
     96      -5.4742      1.00000
     97      -5.3204      1.00000
     98      -5.2171      1.00000
     99      -5.0513      1.00000
    100      -4.7280      1.00000
    101      -4.6787      1.00000
    102      -4.4279      1.00000
    103      -4.1989      1.00000
    104      -3.8471      1.00000
    105      -3.6393      1.00000
    106      -3.4208      1.00000
    107      -2.2990      0.00000
    108      -1.5146      0.00000
    109      -1.2746      0.00000
    110      -1.2662      0.00000
    111      -1.0381      0.00000
    112      -0.9797      0.00000
    113      -0.8718      0.00000
    114      -0.8026      0.00000
    115      -0.2693      0.00000
    116       0.2007      0.00000
    117       0.2369      0.00000
    118       0.3523      0.00000
    119       0.6603      0.00000
    120       0.8900      0.00000
    121       0.9163      0.00000
    122       1.0158      0.00000
    123       1.1363      0.00000
    124       1.4783      0.00000
    125       1.5087      0.00000
    126       1.6781      0.00000
    127       1.7703      0.00000
    128       1.8195      0.00000
    129       1.9162      0.00000
    130       1.9483      0.00000
    131       2.1602      0.00000
    132       2.2076      0.00000
    133       2.3666      0.00000
    134       2.4549      0.00000
    135       2.5190      0.00000
    136       2.5924      0.00000
    137       2.6156      0.00000
    138       2.6608      0.00000
    139       2.7217      0.00000
    140       2.8056      0.00000
    141       2.9948      0.00000
    142       3.0375      0.00000
    143       3.1543      0.00000
    144       3.2156      0.00000
    145       3.2276      0.00000
    146       3.2661      0.00000
    147       3.3160      0.00000
    148       3.4001      0.00000
    149       3.4694      0.00000
    150       3.6549      0.00000
    151       3.6819      0.00000
    152       3.7117      0.00000
    153       3.7916      0.00000
    154       3.8574      0.00000
    155       3.8873      0.00000
    156       3.9483      0.00000
    157       3.9866      0.00000
    158       4.0245      0.00000
    159       4.0270      0.00000
    160       4.0621      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.4021      1.00000
      2     -21.8431      1.00000
      3     -21.6534      1.00000
      4     -21.6186      1.00000
      5     -21.2906      1.00000
      6     -21.2439      1.00000
      7     -21.0687      1.00000
      8     -20.1829      1.00000
      9     -20.1370      1.00000
     10     -19.6288      1.00000
     11     -19.5998      1.00000
     12     -19.4272      1.00000
     13     -19.1059      1.00000
     14     -19.0671      1.00000
     15     -19.0623      1.00000
     16     -19.0481      1.00000
     17     -18.3778      1.00000
     18     -18.3555      1.00000
     19     -18.0278      1.00000
     20     -17.0824      1.00000
     21     -17.0344      1.00000
     22     -16.9585      1.00000
     23     -16.9433      1.00000
     24     -16.4802      1.00000
     25     -16.4708      1.00000
     26     -15.6198      1.00000
     27     -15.6195      1.00000
     28     -15.2623      1.00000
     29     -15.2472      1.00000
     30     -15.2004      1.00000
     31     -15.1107      1.00000
     32     -15.0753      1.00000
     33     -14.7084      1.00000
     34     -14.7051      1.00000
     35     -13.7349      1.00000
     36     -13.7323      1.00000
     37     -13.2436      1.00000
     38     -12.6317      1.00000
     39     -12.5850      1.00000
     40     -12.4649      1.00000
     41     -12.4583      1.00000
     42     -12.1158      1.00000
     43     -12.1075      1.00000
     44     -11.7299      1.00000
     45     -11.6919      1.00000
     46     -11.2518      1.00000
     47     -11.2287      1.00000
     48     -11.0271      1.00000
     49     -11.0143      1.00000
     50     -10.9370      1.00000
     51     -10.9088      1.00000
     52     -10.6464      1.00000
     53     -10.1788      1.00000
     54     -10.1569      1.00000
     55     -10.0903      1.00000
     56     -10.0010      1.00000
     57      -9.7049      1.00000
     58      -9.6997      1.00000
     59      -9.6801      1.00000
     60      -9.5970      1.00000
     61      -9.5746      1.00000
     62      -9.5627      1.00000
     63      -9.3211      1.00000
     64      -9.3083      1.00000
     65      -9.2919      1.00000
     66      -9.2493      1.00000
     67      -9.1315      1.00000
     68      -9.1195      1.00000
     69      -9.1193      1.00000
     70      -8.9494      1.00000
     71      -8.8821      1.00000
     72      -8.6101      1.00000
     73      -8.5945      1.00000
     74      -8.2773      1.00000
     75      -8.1058      1.00000
     76      -7.8742      1.00000
     77      -7.8526      1.00000
     78      -7.7971      1.00000
     79      -7.7721      1.00000
     80      -7.7612      1.00000
     81      -7.4504      1.00000
     82      -7.3412      1.00000
     83      -7.3261      1.00000
     84      -7.2720      1.00000
     85      -7.1706      1.00000
     86      -7.0216      1.00000
     87      -6.9935      1.00000
     88      -6.7235      1.00000
     89      -6.6984      1.00000
     90      -6.6402      1.00000
     91      -6.5976      1.00000
     92      -6.1203      1.00000
     93      -6.0650      1.00000
     94      -6.0513      1.00000
     95      -6.0352      1.00000
     96      -5.7571      1.00000
     97      -4.9787      1.00000
     98      -4.8446      1.00000
     99      -4.7161      1.00000
    100      -4.6823      1.00000
    101      -4.4878      1.00000
    102      -4.3565      1.00000
    103      -4.1148      1.00000
    104      -4.0605      1.00000
    105      -3.7598      1.00000
    106      -3.4701      1.00000
    107      -1.9591      0.00000
    108      -1.7758      0.00000
    109      -1.4845      0.00000
    110      -1.3593      0.00000
    111      -1.3391      0.00000
    112      -1.2935      0.00000
    113      -0.6814      0.00000
    114      -0.4767      0.00000
    115      -0.2405      0.00000
    116       0.0442      0.00000
    117       0.5533      0.00000
    118       0.6875      0.00000
    119       0.7658      0.00000
    120       1.0169      0.00000
    121       1.0959      0.00000
    122       1.1600      0.00000
    123       1.2350      0.00000
    124       1.3114      0.00000
    125       1.3928      0.00000
    126       1.5454      0.00000
    127       1.7381      0.00000
    128       1.8199      0.00000
    129       1.8569      0.00000
    130       1.8723      0.00000
    131       2.0211      0.00000
    132       2.1751      0.00000
    133       2.1800      0.00000
    134       2.2316      0.00000
    135       2.4415      0.00000
    136       2.5672      0.00000
    137       2.6266      0.00000
    138       2.6891      0.00000
    139       2.7547      0.00000
    140       2.8321      0.00000
    141       2.8346      0.00000
    142       2.8607      0.00000
    143       2.9257      0.00000
    144       3.0166      0.00000
    145       3.2570      0.00000
    146       3.3305      0.00000
    147       3.3745      0.00000
    148       3.3980      0.00000
    149       3.3988      0.00000
    150       3.5591      0.00000
    151       3.6287      0.00000
    152       3.6385      0.00000
    153       3.6948      0.00000
    154       3.8640      0.00000
    155       3.8675      0.00000
    156       3.9142      0.00000
    157       4.0539      0.00000
    158       4.1557      0.00000
    159       4.2140      0.00000
    160       4.2472      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2220      1.00000
      2     -22.1315      1.00000
      3     -21.9689      1.00000
      4     -21.4164      1.00000
      5     -21.0577      1.00000
      6     -21.0300      1.00000
      7     -20.5069      1.00000
      8     -20.4781      1.00000
      9     -20.2981      1.00000
     10     -20.2962      1.00000
     11     -19.9673      1.00000
     12     -19.9043      1.00000
     13     -18.8930      1.00000
     14     -18.8255      1.00000
     15     -18.3493      1.00000
     16     -18.3288      1.00000
     17     -18.1592      1.00000
     18     -18.1512      1.00000
     19     -17.8268      1.00000
     20     -17.8077      1.00000
     21     -17.2654      1.00000
     22     -17.2466      1.00000
     23     -17.1717      1.00000
     24     -17.1434      1.00000
     25     -16.1254      1.00000
     26     -15.8916      1.00000
     27     -15.8806      1.00000
     28     -15.8455      1.00000
     29     -15.2415      1.00000
     30     -14.5589      1.00000
     31     -14.5414      1.00000
     32     -14.2856      1.00000
     33     -13.9835      1.00000
     34     -13.9594      1.00000
     35     -13.8301      1.00000
     36     -13.8093      1.00000
     37     -13.6134      1.00000
     38     -13.5876      1.00000
     39     -13.3814      1.00000
     40     -12.6478      1.00000
     41     -12.1773      1.00000
     42     -12.1504      1.00000
     43     -12.0785      1.00000
     44     -12.0314      1.00000
     45     -11.6718      1.00000
     46     -11.6680      1.00000
     47     -11.1426      1.00000
     48     -11.1321      1.00000
     49     -10.7985      1.00000
     50     -10.7419      1.00000
     51     -10.5441      1.00000
     52     -10.2167      1.00000
     53     -10.2115      1.00000
     54     -10.1808      1.00000
     55     -10.0309      1.00000
     56     -10.0038      1.00000
     57      -9.9979      1.00000
     58      -9.8134      1.00000
     59      -9.8045      1.00000
     60      -9.7689      1.00000
     61      -9.7621      1.00000
     62      -9.4609      1.00000
     63      -9.4260      1.00000
     64      -9.0919      1.00000
     65      -9.0529      1.00000
     66      -9.0338      1.00000
     67      -8.9783      1.00000
     68      -8.9072      1.00000
     69      -8.7156      1.00000
     70      -8.7075      1.00000
     71      -8.5662      1.00000
     72      -8.5567      1.00000
     73      -8.4857      1.00000
     74      -8.4674      1.00000
     75      -8.4651      1.00000
     76      -8.3169      1.00000
     77      -8.1037      1.00000
     78      -8.0988      1.00000
     79      -7.9308      1.00000
     80      -7.8388      1.00000
     81      -7.6084      1.00000
     82      -7.5446      1.00000
     83      -7.4505      1.00000
     84      -7.3137      1.00000
     85      -6.9970      1.00000
     86      -6.9233      1.00000
     87      -6.8849      1.00000
     88      -6.5351      1.00000
     89      -6.5211      1.00000
     90      -6.4874      1.00000
     91      -6.4269      1.00000
     92      -5.9340      1.00000
     93      -5.9141      1.00000
     94      -5.7966      1.00000
     95      -5.7809      1.00000
     96      -5.3772      1.00000
     97      -5.3684      1.00000
     98      -5.2299      1.00000
     99      -5.2217      1.00000
    100      -5.2036      1.00000
    101      -4.7245      1.00000
    102      -4.4460      1.00000
    103      -4.1951      1.00000
    104      -3.8248      1.00000
    105      -3.5702      1.00000
    106      -3.2244      1.00000
    107      -2.5704      0.00000
    108      -1.4686      0.00000
    109      -1.2692      0.00000
    110      -1.1908      0.00000
    111      -1.1886      0.00000
    112      -0.6489      0.00000
    113      -0.5540      0.00000
    114      -0.4190      0.00000
    115      -0.3497      0.00000
    116      -0.0808      0.00000
    117      -0.0650      0.00000
    118       0.1193      0.00000
    119       0.5889      0.00000
    120       0.6182      0.00000
    121       0.8231      0.00000
    122       0.9507      0.00000
    123       0.9764      0.00000
    124       1.4667      0.00000
    125       1.6450      0.00000
    126       1.6950      0.00000
    127       1.8045      0.00000
    128       2.0564      0.00000
    129       2.1341      0.00000
    130       2.1671      0.00000
    131       2.2057      0.00000
    132       2.2509      0.00000
    133       2.3341      0.00000
    134       2.4615      0.00000
    135       2.5014      0.00000
    136       2.6175      0.00000
    137       2.8466      0.00000
    138       2.8500      0.00000
    139       2.9200      0.00000
    140       2.9638      0.00000
    141       2.9921      0.00000
    142       3.0992      0.00000
    143       3.1800      0.00000
    144       3.2115      0.00000
    145       3.2144      0.00000
    146       3.2598      0.00000
    147       3.2830      0.00000
    148       3.3268      0.00000
    149       3.3531      0.00000
    150       3.4935      0.00000
    151       3.5293      0.00000
    152       3.6044      0.00000
    153       3.6138      0.00000
    154       3.6878      0.00000
    155       3.7033      0.00000
    156       3.8656      0.00000
    157       3.9189      0.00000
    158       3.9828      0.00000
    159       4.0156      0.00000
    160       4.1232      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2957      1.00000
      2     -22.0911      1.00000
      3     -21.7322      1.00000
      4     -21.6932      1.00000
      5     -20.9945      1.00000
      6     -20.9470      1.00000
      7     -20.6225      1.00000
      8     -20.5915      1.00000
      9     -20.5774      1.00000
     10     -20.0441      1.00000
     11     -19.5249      1.00000
     12     -19.4923      1.00000
     13     -19.3229      1.00000
     14     -19.3073      1.00000
     15     -18.4604      1.00000
     16     -18.4176      1.00000
     17     -17.9380      1.00000
     18     -17.9156      1.00000
     19     -17.7765      1.00000
     20     -17.7316      1.00000
     21     -17.4515      1.00000
     22     -17.4309      1.00000
     23     -17.3495      1.00000
     24     -16.4764      1.00000
     25     -16.4690      1.00000
     26     -15.9792      1.00000
     27     -15.4211      1.00000
     28     -15.4190      1.00000
     29     -15.1045      1.00000
     30     -15.1030      1.00000
     31     -14.8652      1.00000
     32     -14.8494      1.00000
     33     -14.3064      1.00000
     34     -14.2608      1.00000
     35     -13.4522      1.00000
     36     -13.4063      1.00000
     37     -13.1851      1.00000
     38     -13.1810      1.00000
     39     -12.9961      1.00000
     40     -12.9859      1.00000
     41     -12.6209      1.00000
     42     -12.6159      1.00000
     43     -12.2045      1.00000
     44     -11.5881      1.00000
     45     -11.5475      1.00000
     46     -11.3222      1.00000
     47     -11.2924      1.00000
     48     -11.1491      1.00000
     49     -10.6994      1.00000
     50     -10.6672      1.00000
     51     -10.5555      1.00000
     52     -10.3314      1.00000
     53     -10.3229      1.00000
     54     -10.1855      1.00000
     55     -10.1257      1.00000
     56     -10.1150      1.00000
     57      -9.8199      1.00000
     58      -9.7611      1.00000
     59      -9.7592      1.00000
     60      -9.7093      1.00000
     61      -9.7070      1.00000
     62      -9.6565      1.00000
     63      -9.3594      1.00000
     64      -9.3592      1.00000
     65      -9.3243      1.00000
     66      -9.0360      1.00000
     67      -8.9693      1.00000
     68      -8.9671      1.00000
     69      -8.7847      1.00000
     70      -8.5986      1.00000
     71      -8.5959      1.00000
     72      -8.4331      1.00000
     73      -8.3587      1.00000
     74      -8.3294      1.00000
     75      -8.3119      1.00000
     76      -8.2723      1.00000
     77      -8.2625      1.00000
     78      -8.2451      1.00000
     79      -7.9295      1.00000
     80      -7.7402      1.00000
     81      -7.3849      1.00000
     82      -7.3518      1.00000
     83      -7.3242      1.00000
     84      -7.2209      1.00000
     85      -7.1660      1.00000
     86      -7.0731      1.00000
     87      -6.9665      1.00000
     88      -6.9129      1.00000
     89      -6.6205      1.00000
     90      -6.5597      1.00000
     91      -6.2782      1.00000
     92      -6.0039      1.00000
     93      -5.9683      1.00000
     94      -5.6814      1.00000
     95      -5.6540      1.00000
     96      -5.3942      1.00000
     97      -5.3244      1.00000
     98      -5.3013      1.00000
     99      -5.2184      1.00000
    100      -5.2062      1.00000
    101      -4.5151      1.00000
    102      -4.3431      1.00000
    103      -3.9988      1.00000
    104      -3.8908      1.00000
    105      -3.7975      1.00000
    106      -3.4478      1.00000
    107      -2.0437      0.00000
    108      -1.8680      0.00000
    109      -1.2218      0.00000
    110      -1.1860      0.00000
    111      -1.0406      0.00000
    112      -0.7764      0.00000
    113      -0.6807      0.00000
    114      -0.6639      0.00000
    115      -0.6111      0.00000
    116      -0.1096      0.00000
    117       0.2220      0.00000
    118       0.2338      0.00000
    119       0.7348      0.00000
    120       0.9533      0.00000
    121       1.0631      0.00000
    122       1.2315      0.00000
    123       1.2399      0.00000
    124       1.3117      0.00000
    125       1.5536      0.00000
    126       1.5785      0.00000
    127       1.6564      0.00000
    128       1.7587      0.00000
    129       1.8979      0.00000
    130       1.9023      0.00000
    131       2.0742      0.00000
    132       2.2872      0.00000
    133       2.3266      0.00000
    134       2.3751      0.00000
    135       2.4900      0.00000
    136       2.5934      0.00000
    137       2.7559      0.00000
    138       2.8061      0.00000
    139       2.8136      0.00000
    140       2.8365      0.00000
    141       3.0099      0.00000
    142       3.0599      0.00000
    143       3.1000      0.00000
    144       3.1721      0.00000
    145       3.3298      0.00000
    146       3.3862      0.00000
    147       3.4615      0.00000
    148       3.4997      0.00000
    149       3.5623      0.00000
    150       3.5864      0.00000
    151       3.6063      0.00000
    152       3.7026      0.00000
    153       3.7106      0.00000
    154       3.7421      0.00000
    155       3.8036      0.00000
    156       3.8359      0.00000
    157       3.9638      0.00000
    158       4.0497      0.00000
    159       4.1256      0.00000
    160       4.1522      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4389      1.00000
      2     -21.6147      1.00000
      3     -21.4940      1.00000
      4     -21.4844      1.00000
      5     -21.4531      1.00000
      6     -21.4522      1.00000
      7     -21.4417      1.00000
      8     -19.7185      1.00000
      9     -19.6636      1.00000
     10     -19.6387      1.00000
     11     -19.6310      1.00000
     12     -19.6252      1.00000
     13     -19.6219      1.00000
     14     -18.8015      1.00000
     15     -18.7652      1.00000
     16     -18.7434      1.00000
     17     -18.7340      1.00000
     18     -18.7284      1.00000
     19     -18.7253      1.00000
     20     -16.6400      1.00000
     21     -16.6185      1.00000
     22     -16.5943      1.00000
     23     -16.5890      1.00000
     24     -16.5631      1.00000
     25     -16.5609      1.00000
     26     -15.6235      1.00000
     27     -15.6158      1.00000
     28     -15.6105      1.00000
     29     -15.5736      1.00000
     30     -15.5733      1.00000
     31     -15.5680      1.00000
     32     -14.2683      1.00000
     33     -14.2575      1.00000
     34     -14.2503      1.00000
     35     -14.2459      1.00000
     36     -14.2294      1.00000
     37     -14.2293      1.00000
     38     -11.9138      1.00000
     39     -11.8872      1.00000
     40     -11.8792      1.00000
     41     -11.8684      1.00000
     42     -11.8503      1.00000
     43     -11.8496      1.00000
     44     -11.7801      1.00000
     45     -11.7770      1.00000
     46     -11.7436      1.00000
     47     -11.7372      1.00000
     48     -11.7336      1.00000
     49     -11.7328      1.00000
     50     -10.6854      1.00000
     51     -10.3950      1.00000
     52     -10.3937      1.00000
     53     -10.3855      1.00000
     54     -10.3756      1.00000
     55     -10.3664      1.00000
     56     -10.3619      1.00000
     57      -9.9120      1.00000
     58      -9.4603      1.00000
     59      -9.4150      1.00000
     60      -9.3721      1.00000
     61      -9.3718      1.00000
     62      -9.3637      1.00000
     63      -9.1502      1.00000
     64      -9.1300      1.00000
     65      -9.1282      1.00000
     66      -9.0935      1.00000
     67      -9.0797      1.00000
     68      -9.0789      1.00000
     69      -9.0733      1.00000
     70      -9.0729      1.00000
     71      -9.0688      1.00000
     72      -9.0413      1.00000
     73      -9.0348      1.00000
     74      -9.0331      1.00000
     75      -8.1359      1.00000
     76      -7.7479      1.00000
     77      -7.4776      1.00000
     78      -7.4733      1.00000
     79      -7.4570      1.00000
     80      -7.4413      1.00000
     81      -7.4325      1.00000
     82      -7.4090      1.00000
     83      -7.3190      1.00000
     84      -7.2809      1.00000
     85      -7.2664      1.00000
     86      -7.2563      1.00000
     87      -7.1584      1.00000
     88      -7.0529      1.00000
     89      -6.4540      1.00000
     90      -6.4212      1.00000
     91      -6.4059      1.00000
     92      -6.3718      1.00000
     93      -6.3620      1.00000
     94      -6.3477      1.00000
     95      -5.9658      1.00000
     96      -5.9605      1.00000
     97      -4.8089      1.00000
     98      -4.5497      1.00000
     99      -4.4880      1.00000
    100      -4.4799      1.00000
    101      -4.3897      1.00000
    102      -4.3877      1.00000
    103      -4.2707      1.00000
    104      -4.1923      1.00000
    105      -3.7443      1.00000
    106      -3.4824      1.00000
    107      -1.8704      0.00000
    108      -1.6749      0.00000
    109      -1.6260      0.00000
    110      -1.5943      0.00000
    111      -1.5798      0.00000
    112      -1.5785      0.00000
    113      -0.4360      0.00000
    114       0.1431      0.00000
    115       0.1872      0.00000
    116       0.2506      0.00000
    117       0.2643      0.00000
    118       0.2697      0.00000
    119       0.4707      0.00000
    120       0.5125      0.00000
    121       1.2089      0.00000
    122       1.2769      0.00000
    123       1.4806      0.00000
    124       1.7389      0.00000
    125       1.7402      0.00000
    126       1.7416      0.00000
    127       1.7901      0.00000
    128       1.8151      0.00000
    129       1.9538      0.00000
    130       1.9561      0.00000
    131       1.9751      0.00000
    132       1.9896      0.00000
    133       1.9954      0.00000
    134       2.0468      0.00000
    135       2.1980      0.00000
    136       2.3154      0.00000
    137       2.5401      0.00000
    138       2.5435      0.00000
    139       2.5612      0.00000
    140       2.6566      0.00000
    141       2.8934      0.00000
    142       3.0254      0.00000
    143       3.0520      0.00000
    144       3.0594      0.00000
    145       3.0867      0.00000
    146       3.0898      0.00000
    147       3.0941      0.00000
    148       3.2282      0.00000
    149       3.4140      0.00000
    150       3.4668      0.00000
    151       3.7965      0.00000
    152       3.9155      0.00000
    153       3.9194      0.00000
    154       3.9232      0.00000
    155       3.9339      0.00000
    156       3.9685      0.00000
    157       4.1406      0.00000
    158       4.2258      0.00000
    159       4.2355      0.00000
    160       4.2554      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4022      1.00000
      2     -21.8427      1.00000
      3     -21.6503      1.00000
      4     -21.6229      1.00000
      5     -21.2865      1.00000
      6     -21.2475      1.00000
      7     -21.0686      1.00000
      8     -20.1788      1.00000
      9     -20.1409      1.00000
     10     -19.6205      1.00000
     11     -19.6081      1.00000
     12     -19.4279      1.00000
     13     -19.0996      1.00000
     14     -19.0729      1.00000
     15     -19.0593      1.00000
     16     -19.0508      1.00000
     17     -18.3716      1.00000
     18     -18.3618      1.00000
     19     -18.0282      1.00000
     20     -17.0771      1.00000
     21     -17.0390      1.00000
     22     -16.9520      1.00000
     23     -16.9499      1.00000
     24     -16.4759      1.00000
     25     -16.4742      1.00000
     26     -15.6225      1.00000
     27     -15.6189      1.00000
     28     -15.2614      1.00000
     29     -15.2508      1.00000
     30     -15.1944      1.00000
     31     -15.1088      1.00000
     32     -15.0798      1.00000
     33     -14.7083      1.00000
     34     -14.7050      1.00000
     35     -13.7356      1.00000
     36     -13.7314      1.00000
     37     -13.2439      1.00000
     38     -12.6229      1.00000
     39     -12.5909      1.00000
     40     -12.4646      1.00000
     41     -12.4601      1.00000
     42     -12.1163      1.00000
     43     -12.1099      1.00000
     44     -11.7262      1.00000
     45     -11.6958      1.00000
     46     -11.2427      1.00000
     47     -11.2331      1.00000
     48     -11.0263      1.00000
     49     -11.0178      1.00000
     50     -10.9344      1.00000
     51     -10.9145      1.00000
     52     -10.6404      1.00000
     53     -10.1629      1.00000
     54     -10.1607      1.00000
     55     -10.0990      1.00000
     56     -10.0073      1.00000
     57      -9.7095      1.00000
     58      -9.7037      1.00000
     59      -9.6646      1.00000
     60      -9.6010      1.00000
     61      -9.5818      1.00000
     62      -9.5677      1.00000
     63      -9.3142      1.00000
     64      -9.3108      1.00000
     65      -9.2832      1.00000
     66      -9.2446      1.00000
     67      -9.1463      1.00000
     68      -9.1217      1.00000
     69      -9.1194      1.00000
     70      -8.9488      1.00000
     71      -8.8799      1.00000
     72      -8.6077      1.00000
     73      -8.5977      1.00000
     74      -8.2431      1.00000
     75      -8.1066      1.00000
     76      -7.9203      1.00000
     77      -7.8701      1.00000
     78      -7.7795      1.00000
     79      -7.7616      1.00000
     80      -7.6985      1.00000
     81      -7.5646      1.00000
     82      -7.3475      1.00000
     83      -7.3275      1.00000
     84      -7.2136      1.00000
     85      -7.1292      1.00000
     86      -7.0386      1.00000
     87      -7.0174      1.00000
     88      -6.7120      1.00000
     89      -6.6855      1.00000
     90      -6.6474      1.00000
     91      -6.6058      1.00000
     92      -6.1221      1.00000
     93      -6.0675      1.00000
     94      -6.0358      1.00000
     95      -6.0197      1.00000
     96      -5.7888      1.00000
     97      -4.9779      1.00000
     98      -4.8394      1.00000
     99      -4.7522      1.00000
    100      -4.6854      1.00000
    101      -4.4730      1.00000
    102      -4.2077      1.00000
    103      -4.1792      1.00000
    104      -4.1328      1.00000
    105      -3.7351      1.00000
    106      -3.4927      1.00000
    107      -1.8758      0.00000
    108      -1.8117      0.00000
    109      -1.5292      0.00000
    110      -1.3792      0.00000
    111      -1.3273      0.00000
    112      -1.2911      0.00000
    113      -0.7252      0.00000
    114      -0.3812      0.00000
    115      -0.2526      0.00000
    116       0.0287      0.00000
    117       0.5259      0.00000
    118       0.6918      0.00000
    119       0.7416      0.00000
    120       1.0380      0.00000
    121       1.0950      0.00000
    122       1.1325      0.00000
    123       1.2182      0.00000
    124       1.3454      0.00000
    125       1.4884      0.00000
    126       1.5342      0.00000
    127       1.6858      0.00000
    128       1.7916      0.00000
    129       1.8518      0.00000
    130       1.8752      0.00000
    131       2.0645      0.00000
    132       2.1394      0.00000
    133       2.2037      0.00000
    134       2.2555      0.00000
    135       2.4658      0.00000
    136       2.5316      0.00000
    137       2.6244      0.00000
    138       2.7415      0.00000
    139       2.7724      0.00000
    140       2.8190      0.00000
    141       2.8459      0.00000
    142       2.8639      0.00000
    143       2.9199      0.00000
    144       3.0154      0.00000
    145       3.1088      0.00000
    146       3.2602      0.00000
    147       3.3684      0.00000
    148       3.4166      0.00000
    149       3.4319      0.00000
    150       3.5799      0.00000
    151       3.6168      0.00000
    152       3.6418      0.00000
    153       3.6843      0.00000
    154       3.8605      0.00000
    155       3.9082      0.00000
    156       3.9710      0.00000
    157       4.0152      0.00000
    158       4.1917      0.00000
    159       4.2174      0.00000
    160       4.2265      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2961      1.00000
      2     -22.0904      1.00000
      3     -21.7288      1.00000
      4     -21.6974      1.00000
      5     -20.9910      1.00000
      6     -20.9509      1.00000
      7     -20.6234      1.00000
      8     -20.5863      1.00000
      9     -20.5809      1.00000
     10     -20.0436      1.00000
     11     -19.5154      1.00000
     12     -19.5023      1.00000
     13     -19.3188      1.00000
     14     -19.3117      1.00000
     15     -18.4575      1.00000
     16     -18.4210      1.00000
     17     -17.9326      1.00000
     18     -17.9224      1.00000
     19     -17.7707      1.00000
     20     -17.7353      1.00000
     21     -17.4455      1.00000
     22     -17.4379      1.00000
     23     -17.3485      1.00000
     24     -16.4728      1.00000
     25     -16.4713      1.00000
     26     -15.9781      1.00000
     27     -15.4235      1.00000
     28     -15.4192      1.00000
     29     -15.1062      1.00000
     30     -15.1025      1.00000
     31     -14.8628      1.00000
     32     -14.8526      1.00000
     33     -14.3000      1.00000
     34     -14.2653      1.00000
     35     -13.4457      1.00000
     36     -13.4113      1.00000
     37     -13.1860      1.00000
     38     -13.1810      1.00000
     39     -12.9935      1.00000
     40     -12.9878      1.00000
     41     -12.6209      1.00000
     42     -12.6161      1.00000
     43     -12.2053      1.00000
     44     -11.5853      1.00000
     45     -11.5522      1.00000
     46     -11.3191      1.00000
     47     -11.2972      1.00000
     48     -11.1491      1.00000
     49     -10.6817      1.00000
     50     -10.6696      1.00000
     51     -10.5618      1.00000
     52     -10.3312      1.00000
     53     -10.3257      1.00000
     54     -10.1792      1.00000
     55     -10.1225      1.00000
     56     -10.1196      1.00000
     57      -9.8075      1.00000
     58      -9.7722      1.00000
     59      -9.7608      1.00000
     60      -9.7081      1.00000
     61      -9.7044      1.00000
     62      -9.6721      1.00000
     63      -9.3613      1.00000
     64      -9.3595      1.00000
     65      -9.3235      1.00000
     66      -9.0489      1.00000
     67      -8.9699      1.00000
     68      -8.9555      1.00000
     69      -8.8088      1.00000
     70      -8.6024      1.00000
     71      -8.5658      1.00000
     72      -8.4064      1.00000
     73      -8.3738      1.00000
     74      -8.3293      1.00000
     75      -8.3139      1.00000
     76      -8.2644      1.00000
     77      -8.2620      1.00000
     78      -8.2429      1.00000
     79      -7.9121      1.00000
     80      -7.6564      1.00000
     81      -7.5530      1.00000
     82      -7.3954      1.00000
     83      -7.3548      1.00000
     84      -7.2373      1.00000
     85      -7.1051      1.00000
     86      -7.0452      1.00000
     87      -6.9422      1.00000
     88      -6.8545      1.00000
     89      -6.6170      1.00000
     90      -6.5648      1.00000
     91      -6.2738      1.00000
     92      -6.0496      1.00000
     93      -5.9587      1.00000
     94      -5.6682      1.00000
     95      -5.6313      1.00000
     96      -5.4680      1.00000
     97      -5.3250      1.00000
     98      -5.2851      1.00000
     99      -5.2186      1.00000
    100      -5.2026      1.00000
    101      -4.5123      1.00000
    102      -4.2121      1.00000
    103      -4.0651      1.00000
    104      -3.9947      1.00000
    105      -3.7006      1.00000
    106      -3.5031      1.00000
    107      -1.9484      0.00000
    108      -1.9010      0.00000
    109      -1.3436      0.00000
    110      -1.0901      0.00000
    111      -1.0604      0.00000
    112      -0.8054      0.00000
    113      -0.6804      0.00000
    114      -0.6518      0.00000
    115      -0.6099      0.00000
    116      -0.1160      0.00000
    117       0.2137      0.00000
    118       0.3214      0.00000
    119       0.6632      0.00000
    120       0.8597      0.00000
    121       1.1175      0.00000
    122       1.1946      0.00000
    123       1.2966      0.00000
    124       1.3861      0.00000
    125       1.5384      0.00000
    126       1.5674      0.00000
    127       1.6372      0.00000
    128       1.7766      0.00000
    129       1.8329      0.00000
    130       2.0091      0.00000
    131       2.1084      0.00000
    132       2.3133      0.00000
    133       2.3485      0.00000
    134       2.3520      0.00000
    135       2.4917      0.00000
    136       2.5960      0.00000
    137       2.6917      0.00000
    138       2.7448      0.00000
    139       2.8131      0.00000
    140       2.8491      0.00000
    141       3.0121      0.00000
    142       3.0203      0.00000
    143       3.1105      0.00000
    144       3.2187      0.00000
    145       3.3173      0.00000
    146       3.3710      0.00000
    147       3.3894      0.00000
    148       3.5415      0.00000
    149       3.5493      0.00000
    150       3.5676      0.00000
    151       3.6257      0.00000
    152       3.6521      0.00000
    153       3.7405      0.00000
    154       3.7604      0.00000
    155       3.7906      0.00000
    156       3.8528      0.00000
    157       3.8749      0.00000
    158       3.9387      0.00000
    159       4.1612      0.00000
    160       4.1891      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3301      1.00000
      2     -21.9751      1.00000
      3     -21.9061      1.00000
      4     -21.3929      1.00000
      5     -21.3642      1.00000
      6     -20.8511      1.00000
      7     -20.7859      1.00000
      8     -20.6355      1.00000
      9     -20.0888      1.00000
     10     -20.0842      1.00000
     11     -19.7277      1.00000
     12     -19.7034      1.00000
     13     -19.0065      1.00000
     14     -19.0022      1.00000
     15     -18.6517      1.00000
     16     -18.6364      1.00000
     17     -18.4714      1.00000
     18     -17.6830      1.00000
     19     -17.6337      1.00000
     20     -17.6308      1.00000
     21     -17.5887      1.00000
     22     -17.1366      1.00000
     23     -17.1144      1.00000
     24     -16.9734      1.00000
     25     -16.0130      1.00000
     26     -15.9380      1.00000
     27     -15.5961      1.00000
     28     -15.5959      1.00000
     29     -15.2923      1.00000
     30     -14.8749      1.00000
     31     -14.8469      1.00000
     32     -14.5864      1.00000
     33     -14.5442      1.00000
     34     -14.1767      1.00000
     35     -14.1640      1.00000
     36     -13.1586      1.00000
     37     -13.1111      1.00000
     38     -13.0369      1.00000
     39     -13.0258      1.00000
     40     -12.7162      1.00000
     41     -12.7129      1.00000
     42     -12.3520      1.00000
     43     -12.3210      1.00000
     44     -11.6431      1.00000
     45     -11.6294      1.00000
     46     -11.5790      1.00000
     47     -10.9574      1.00000
     48     -10.9251      1.00000
     49     -10.6402      1.00000
     50     -10.6323      1.00000
     51     -10.5558      1.00000
     52     -10.5090      1.00000
     53     -10.5088      1.00000
     54     -10.4491      1.00000
     55     -10.3677      1.00000
     56     -10.1091      1.00000
     57      -9.9137      1.00000
     58      -9.6161      1.00000
     59      -9.5628      1.00000
     60      -9.4608      1.00000
     61      -9.4202      1.00000
     62      -9.4132      1.00000
     63      -9.3854      1.00000
     64      -9.3851      1.00000
     65      -9.2974      1.00000
     66      -9.1743      1.00000
     67      -9.1489      1.00000
     68      -9.1186      1.00000
     69      -8.8721      1.00000
     70      -8.8653      1.00000
     71      -8.8234      1.00000
     72      -8.6057      1.00000
     73      -8.4886      1.00000
     74      -8.2048      1.00000
     75      -8.1700      1.00000
     76      -8.0162      1.00000
     77      -7.9703      1.00000
     78      -7.8590      1.00000
     79      -7.8469      1.00000
     80      -7.7096      1.00000
     81      -7.7021      1.00000
     82      -7.6303      1.00000
     83      -7.4543      1.00000
     84      -7.3079      1.00000
     85      -7.2570      1.00000
     86      -6.9121      1.00000
     87      -6.8988      1.00000
     88      -6.5958      1.00000
     89      -6.5585      1.00000
     90      -6.4139      1.00000
     91      -6.2629      1.00000
     92      -6.2413      1.00000
     93      -6.2077      1.00000
     94      -6.0285      1.00000
     95      -5.5543      1.00000
     96      -5.4942      1.00000
     97      -5.3551      1.00000
     98      -5.2244      1.00000
     99      -4.9884      1.00000
    100      -4.7383      1.00000
    101      -4.6843      1.00000
    102      -4.3916      1.00000
    103      -4.2073      1.00000
    104      -3.8756      1.00000
    105      -3.5547      1.00000
    106      -3.5149      1.00000
    107      -2.2580      0.00000
    108      -1.4621      0.00000
    109      -1.3730      0.00000
    110      -1.2447      0.00000
    111      -1.1017      0.00000
    112      -0.9502      0.00000
    113      -0.8689      0.00000
    114      -0.8086      0.00000
    115      -0.1480      0.00000
    116       0.1097      0.00000
    117       0.2373      0.00000
    118       0.3721      0.00000
    119       0.6191      0.00000
    120       0.8291      0.00000
    121       0.9327      0.00000
    122       1.0394      0.00000
    123       1.1991      0.00000
    124       1.4197      0.00000
    125       1.4960      0.00000
    126       1.7618      0.00000
    127       1.7793      0.00000
    128       1.8433      0.00000
    129       1.9108      0.00000
    130       2.0162      0.00000
    131       2.1264      0.00000
    132       2.1689      0.00000
    133       2.3682      0.00000
    134       2.4480      0.00000
    135       2.5230      0.00000
    136       2.6012      0.00000
    137       2.6316      0.00000
    138       2.6595      0.00000
    139       2.7402      0.00000
    140       2.7794      0.00000
    141       2.8987      0.00000
    142       3.0397      0.00000
    143       3.1506      0.00000
    144       3.1917      0.00000
    145       3.2240      0.00000
    146       3.2910      0.00000
    147       3.2913      0.00000
    148       3.4191      0.00000
    149       3.4444      0.00000
    150       3.6531      0.00000
    151       3.6649      0.00000
    152       3.7042      0.00000
    153       3.8241      0.00000
    154       3.8707      0.00000
    155       3.9008      0.00000
    156       3.9648      0.00000
    157       3.9917      0.00000
    158       4.0059      0.00000
    159       4.0275      0.00000
    160       4.0421      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2229      1.00000
      2     -22.1301      1.00000
      3     -21.9693      1.00000
      4     -21.4167      1.00000
      5     -21.0617      1.00000
      6     -21.0257      1.00000
      7     -20.5124      1.00000
      8     -20.4728      1.00000
      9     -20.3059      1.00000
     10     -20.2872      1.00000
     11     -19.9691      1.00000
     12     -19.9034      1.00000
     13     -18.8935      1.00000
     14     -18.8248      1.00000
     15     -18.3626      1.00000
     16     -18.3166      1.00000
     17     -18.1629      1.00000
     18     -18.1463      1.00000
     19     -17.8360      1.00000
     20     -17.7991      1.00000
     21     -17.2599      1.00000
     22     -17.2524      1.00000
     23     -17.1716      1.00000
     24     -17.1433      1.00000
     25     -16.1223      1.00000
     26     -15.8956      1.00000
     27     -15.8815      1.00000
     28     -15.8428      1.00000
     29     -15.2429      1.00000
     30     -14.5645      1.00000
     31     -14.5366      1.00000
     32     -14.2863      1.00000
     33     -13.9729      1.00000
     34     -13.9651      1.00000
     35     -13.8284      1.00000
     36     -13.8130      1.00000
     37     -13.6221      1.00000
     38     -13.5790      1.00000
     39     -13.3819      1.00000
     40     -12.6460      1.00000
     41     -12.1880      1.00000
     42     -12.1408      1.00000
     43     -12.0815      1.00000
     44     -12.0297      1.00000
     45     -11.6771      1.00000
     46     -11.6638      1.00000
     47     -11.1462      1.00000
     48     -11.1263      1.00000
     49     -10.8030      1.00000
     50     -10.7402      1.00000
     51     -10.5375      1.00000
     52     -10.2163      1.00000
     53     -10.2138      1.00000
     54     -10.1751      1.00000
     55     -10.0263      1.00000
     56     -10.0138      1.00000
     57      -9.9994      1.00000
     58      -9.8099      1.00000
     59      -9.8049      1.00000
     60      -9.7697      1.00000
     61      -9.7639      1.00000
     62      -9.4626      1.00000
     63      -9.4267      1.00000
     64      -9.0889      1.00000
     65      -9.0800      1.00000
     66      -9.0487      1.00000
     67      -8.9603      1.00000
     68      -8.8865      1.00000
     69      -8.7193      1.00000
     70      -8.7066      1.00000
     71      -8.5730      1.00000
     72      -8.5504      1.00000
     73      -8.5068      1.00000
     74      -8.4708      1.00000
     75      -8.4589      1.00000
     76      -8.2689      1.00000
     77      -8.1332      1.00000
     78      -8.0519      1.00000
     79      -7.9239      1.00000
     80      -7.8705      1.00000
     81      -7.6222      1.00000
     82      -7.5539      1.00000
     83      -7.4956      1.00000
     84      -7.2699      1.00000
     85      -7.0017      1.00000
     86      -6.9287      1.00000
     87      -6.8894      1.00000
     88      -6.5368      1.00000
     89      -6.4920      1.00000
     90      -6.4682      1.00000
     91      -6.4186      1.00000
     92      -5.9898      1.00000
     93      -5.9040      1.00000
     94      -5.7900      1.00000
     95      -5.7682      1.00000
     96      -5.4368      1.00000
     97      -5.3359      1.00000
     98      -5.2353      1.00000
     99      -5.2225      1.00000
    100      -5.1976      1.00000
    101      -4.6986      1.00000
    102      -4.4256      1.00000
    103      -4.2139      1.00000
    104      -3.8385      1.00000
    105      -3.5341      1.00000
    106      -3.2811      1.00000
    107      -2.5345      0.00000
    108      -1.4634      0.00000
    109      -1.2691      0.00000
    110      -1.2075      0.00000
    111      -1.1757      0.00000
    112      -0.7251      0.00000
    113      -0.5069      0.00000
    114      -0.4165      0.00000
    115      -0.3416      0.00000
    116      -0.1508      0.00000
    117      -0.0060      0.00000
    118       0.1861      0.00000
    119       0.5556      0.00000
    120       0.6087      0.00000
    121       0.7684      0.00000
    122       0.8748      0.00000
    123       1.0985      0.00000
    124       1.4493      0.00000
    125       1.5977      0.00000
    126       1.7867      0.00000
    127       1.8849      0.00000
    128       2.0583      0.00000
    129       2.0777      0.00000
    130       2.1406      0.00000
    131       2.1815      0.00000
    132       2.2765      0.00000
    133       2.3226      0.00000
    134       2.4519      0.00000
    135       2.5576      0.00000
    136       2.6187      0.00000
    137       2.8118      0.00000
    138       2.8651      0.00000
    139       2.8788      0.00000
    140       2.9774      0.00000
    141       2.9834      0.00000
    142       3.1011      0.00000
    143       3.1632      0.00000
    144       3.2048      0.00000
    145       3.2446      0.00000
    146       3.2511      0.00000
    147       3.2883      0.00000
    148       3.3214      0.00000
    149       3.3675      0.00000
    150       3.3945      0.00000
    151       3.4907      0.00000
    152       3.5787      0.00000
    153       3.6932      0.00000
    154       3.7041      0.00000
    155       3.7254      0.00000
    156       3.8630      0.00000
    157       3.8974      0.00000
    158       3.9593      0.00000
    159       4.0680      0.00000
    160       4.1630      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3299      1.00000
      2     -21.9767      1.00000
      3     -21.9047      1.00000
      4     -21.3967      1.00000
      5     -21.3602      1.00000
      6     -20.8513      1.00000
      7     -20.7851      1.00000
      8     -20.6368      1.00000
      9     -20.1006      1.00000
     10     -20.0722      1.00000
     11     -19.7298      1.00000
     12     -19.7008      1.00000
     13     -19.0202      1.00000
     14     -18.9895      1.00000
     15     -18.6593      1.00000
     16     -18.6273      1.00000
     17     -18.4716      1.00000
     18     -17.6705      1.00000
     19     -17.6570      1.00000
     20     -17.6204      1.00000
     21     -17.5883      1.00000
     22     -17.1461      1.00000
     23     -17.1067      1.00000
     24     -16.9727      1.00000
     25     -16.0150      1.00000
     26     -15.9350      1.00000
     27     -15.6083      1.00000
     28     -15.5852      1.00000
     29     -15.2899      1.00000
     30     -14.8851      1.00000
     31     -14.8386      1.00000
     32     -14.5832      1.00000
     33     -14.5458      1.00000
     34     -14.1725      1.00000
     35     -14.1686      1.00000
     36     -13.1692      1.00000
     37     -13.1055      1.00000
     38     -13.0316      1.00000
     39     -13.0269      1.00000
     40     -12.7258      1.00000
     41     -12.7031      1.00000
     42     -12.3503      1.00000
     43     -12.3230      1.00000
     44     -11.6385      1.00000
     45     -11.6299      1.00000
     46     -11.5808      1.00000
     47     -10.9495      1.00000
     48     -10.9313      1.00000
     49     -10.6760      1.00000
     50     -10.5968      1.00000
     51     -10.5806      1.00000
     52     -10.5090      1.00000
     53     -10.4969      1.00000
     54     -10.4443      1.00000
     55     -10.3648      1.00000
     56     -10.1135      1.00000
     57      -9.9080      1.00000
     58      -9.6166      1.00000
     59      -9.5598      1.00000
     60      -9.4626      1.00000
     61      -9.4250      1.00000
     62      -9.4179      1.00000
     63      -9.3879      1.00000
     64      -9.3792      1.00000
     65      -9.2768      1.00000
     66      -9.1719      1.00000
     67      -9.1470      1.00000
     68      -9.1250      1.00000
     69      -8.8732      1.00000
     70      -8.8667      1.00000
     71      -8.8111      1.00000
     72      -8.6060      1.00000
     73      -8.5348      1.00000
     74      -8.2001      1.00000
     75      -8.1775      1.00000
     76      -8.0834      1.00000
     77      -7.8630      1.00000
     78      -7.8444      1.00000
     79      -7.8299      1.00000
     80      -7.7161      1.00000
     81      -7.7016      1.00000
     82      -7.6049      1.00000
     83      -7.5347      1.00000
     84      -7.3578      1.00000
     85      -7.1718      1.00000
     86      -6.9114      1.00000
     87      -6.9004      1.00000
     88      -6.5989      1.00000
     89      -6.5596      1.00000
     90      -6.4098      1.00000
     91      -6.3082      1.00000
     92      -6.2541      1.00000
     93      -6.2073      1.00000
     94      -6.0119      1.00000
     95      -5.5374      1.00000
     96      -5.4742      1.00000
     97      -5.3204      1.00000
     98      -5.2171      1.00000
     99      -5.0513      1.00000
    100      -4.7280      1.00000
    101      -4.6787      1.00000
    102      -4.4279      1.00000
    103      -4.1989      1.00000
    104      -3.8471      1.00000
    105      -3.6393      1.00000
    106      -3.4208      1.00000
    107      -2.2990      0.00000
    108      -1.5146      0.00000
    109      -1.2746      0.00000
    110      -1.2662      0.00000
    111      -1.0381      0.00000
    112      -0.9797      0.00000
    113      -0.8718      0.00000
    114      -0.8026      0.00000
    115      -0.2693      0.00000
    116       0.2007      0.00000
    117       0.2369      0.00000
    118       0.3523      0.00000
    119       0.6603      0.00000
    120       0.8900      0.00000
    121       0.9163      0.00000
    122       1.0158      0.00000
    123       1.1363      0.00000
    124       1.4783      0.00000
    125       1.5087      0.00000
    126       1.6781      0.00000
    127       1.7703      0.00000
    128       1.8195      0.00000
    129       1.9162      0.00000
    130       1.9484      0.00000
    131       2.1602      0.00000
    132       2.2077      0.00000
    133       2.3666      0.00000
    134       2.4549      0.00000
    135       2.5191      0.00000
    136       2.5924      0.00000
    137       2.6156      0.00000
    138       2.6609      0.00000
    139       2.7217      0.00000
    140       2.8056      0.00000
    141       2.9949      0.00000
    142       3.0375      0.00000
    143       3.1543      0.00000
    144       3.2157      0.00000
    145       3.2276      0.00000
    146       3.2661      0.00000
    147       3.3160      0.00000
    148       3.4001      0.00000
    149       3.4694      0.00000
    150       3.6549      0.00000
    151       3.6819      0.00000
    152       3.7117      0.00000
    153       3.7916      0.00000
    154       3.8574      0.00000
    155       3.8873      0.00000
    156       3.9483      0.00000
    157       3.9866      0.00000
    158       4.0246      0.00000
    159       4.0271      0.00000
    160       4.0621      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.4021      1.00000
      2     -21.8431      1.00000
      3     -21.6534      1.00000
      4     -21.6186      1.00000
      5     -21.2906      1.00000
      6     -21.2439      1.00000
      7     -21.0687      1.00000
      8     -20.1829      1.00000
      9     -20.1370      1.00000
     10     -19.6288      1.00000
     11     -19.5998      1.00000
     12     -19.4272      1.00000
     13     -19.1059      1.00000
     14     -19.0671      1.00000
     15     -19.0623      1.00000
     16     -19.0481      1.00000
     17     -18.3778      1.00000
     18     -18.3555      1.00000
     19     -18.0278      1.00000
     20     -17.0824      1.00000
     21     -17.0344      1.00000
     22     -16.9585      1.00000
     23     -16.9433      1.00000
     24     -16.4802      1.00000
     25     -16.4708      1.00000
     26     -15.6198      1.00000
     27     -15.6195      1.00000
     28     -15.2623      1.00000
     29     -15.2472      1.00000
     30     -15.2004      1.00000
     31     -15.1107      1.00000
     32     -15.0753      1.00000
     33     -14.7084      1.00000
     34     -14.7051      1.00000
     35     -13.7349      1.00000
     36     -13.7323      1.00000
     37     -13.2436      1.00000
     38     -12.6317      1.00000
     39     -12.5850      1.00000
     40     -12.4649      1.00000
     41     -12.4583      1.00000
     42     -12.1158      1.00000
     43     -12.1075      1.00000
     44     -11.7299      1.00000
     45     -11.6919      1.00000
     46     -11.2518      1.00000
     47     -11.2287      1.00000
     48     -11.0271      1.00000
     49     -11.0143      1.00000
     50     -10.9370      1.00000
     51     -10.9088      1.00000
     52     -10.6464      1.00000
     53     -10.1788      1.00000
     54     -10.1569      1.00000
     55     -10.0903      1.00000
     56     -10.0010      1.00000
     57      -9.7049      1.00000
     58      -9.6997      1.00000
     59      -9.6801      1.00000
     60      -9.5970      1.00000
     61      -9.5746      1.00000
     62      -9.5627      1.00000
     63      -9.3211      1.00000
     64      -9.3083      1.00000
     65      -9.2919      1.00000
     66      -9.2493      1.00000
     67      -9.1315      1.00000
     68      -9.1195      1.00000
     69      -9.1193      1.00000
     70      -8.9494      1.00000
     71      -8.8821      1.00000
     72      -8.6101      1.00000
     73      -8.5945      1.00000
     74      -8.2773      1.00000
     75      -8.1058      1.00000
     76      -7.8742      1.00000
     77      -7.8526      1.00000
     78      -7.7971      1.00000
     79      -7.7721      1.00000
     80      -7.7612      1.00000
     81      -7.4504      1.00000
     82      -7.3412      1.00000
     83      -7.3261      1.00000
     84      -7.2720      1.00000
     85      -7.1706      1.00000
     86      -7.0216      1.00000
     87      -6.9935      1.00000
     88      -6.7235      1.00000
     89      -6.6984      1.00000
     90      -6.6402      1.00000
     91      -6.5976      1.00000
     92      -6.1203      1.00000
     93      -6.0650      1.00000
     94      -6.0513      1.00000
     95      -6.0352      1.00000
     96      -5.7571      1.00000
     97      -4.9787      1.00000
     98      -4.8446      1.00000
     99      -4.7161      1.00000
    100      -4.6823      1.00000
    101      -4.4878      1.00000
    102      -4.3565      1.00000
    103      -4.1148      1.00000
    104      -4.0605      1.00000
    105      -3.7598      1.00000
    106      -3.4701      1.00000
    107      -1.9591      0.00000
    108      -1.7758      0.00000
    109      -1.4845      0.00000
    110      -1.3593      0.00000
    111      -1.3391      0.00000
    112      -1.2935      0.00000
    113      -0.6814      0.00000
    114      -0.4767      0.00000
    115      -0.2405      0.00000
    116       0.0442      0.00000
    117       0.5533      0.00000
    118       0.6875      0.00000
    119       0.7658      0.00000
    120       1.0169      0.00000
    121       1.0959      0.00000
    122       1.1600      0.00000
    123       1.2350      0.00000
    124       1.3114      0.00000
    125       1.3928      0.00000
    126       1.5454      0.00000
    127       1.7381      0.00000
    128       1.8199      0.00000
    129       1.8569      0.00000
    130       1.8723      0.00000
    131       2.0211      0.00000
    132       2.1751      0.00000
    133       2.1800      0.00000
    134       2.2317      0.00000
    135       2.4415      0.00000
    136       2.5672      0.00000
    137       2.6267      0.00000
    138       2.6891      0.00000
    139       2.7548      0.00000
    140       2.8321      0.00000
    141       2.8346      0.00000
    142       2.8607      0.00000
    143       2.9258      0.00000
    144       3.0166      0.00000
    145       3.2570      0.00000
    146       3.3305      0.00000
    147       3.3745      0.00000
    148       3.3980      0.00000
    149       3.3988      0.00000
    150       3.5591      0.00000
    151       3.6288      0.00000
    152       3.6385      0.00000
    153       3.6948      0.00000
    154       3.8640      0.00000
    155       3.8675      0.00000
    156       3.9143      0.00000
    157       4.0539      0.00000
    158       4.1557      0.00000
    159       4.2140      0.00000
    160       4.2472      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2220      1.00000
      2     -22.1315      1.00000
      3     -21.9689      1.00000
      4     -21.4164      1.00000
      5     -21.0577      1.00000
      6     -21.0300      1.00000
      7     -20.5069      1.00000
      8     -20.4781      1.00000
      9     -20.2981      1.00000
     10     -20.2962      1.00000
     11     -19.9673      1.00000
     12     -19.9043      1.00000
     13     -18.8930      1.00000
     14     -18.8255      1.00000
     15     -18.3493      1.00000
     16     -18.3288      1.00000
     17     -18.1592      1.00000
     18     -18.1512      1.00000
     19     -17.8268      1.00000
     20     -17.8077      1.00000
     21     -17.2654      1.00000
     22     -17.2466      1.00000
     23     -17.1717      1.00000
     24     -17.1434      1.00000
     25     -16.1254      1.00000
     26     -15.8916      1.00000
     27     -15.8806      1.00000
     28     -15.8455      1.00000
     29     -15.2415      1.00000
     30     -14.5589      1.00000
     31     -14.5414      1.00000
     32     -14.2856      1.00000
     33     -13.9835      1.00000
     34     -13.9594      1.00000
     35     -13.8301      1.00000
     36     -13.8093      1.00000
     37     -13.6134      1.00000
     38     -13.5876      1.00000
     39     -13.3814      1.00000
     40     -12.6478      1.00000
     41     -12.1773      1.00000
     42     -12.1504      1.00000
     43     -12.0785      1.00000
     44     -12.0314      1.00000
     45     -11.6718      1.00000
     46     -11.6680      1.00000
     47     -11.1426      1.00000
     48     -11.1321      1.00000
     49     -10.7985      1.00000
     50     -10.7419      1.00000
     51     -10.5441      1.00000
     52     -10.2167      1.00000
     53     -10.2115      1.00000
     54     -10.1808      1.00000
     55     -10.0309      1.00000
     56     -10.0038      1.00000
     57      -9.9979      1.00000
     58      -9.8134      1.00000
     59      -9.8045      1.00000
     60      -9.7689      1.00000
     61      -9.7621      1.00000
     62      -9.4609      1.00000
     63      -9.4260      1.00000
     64      -9.0919      1.00000
     65      -9.0529      1.00000
     66      -9.0338      1.00000
     67      -8.9783      1.00000
     68      -8.9072      1.00000
     69      -8.7156      1.00000
     70      -8.7075      1.00000
     71      -8.5662      1.00000
     72      -8.5567      1.00000
     73      -8.4857      1.00000
     74      -8.4674      1.00000
     75      -8.4651      1.00000
     76      -8.3169      1.00000
     77      -8.1037      1.00000
     78      -8.0988      1.00000
     79      -7.9308      1.00000
     80      -7.8388      1.00000
     81      -7.6084      1.00000
     82      -7.5446      1.00000
     83      -7.4505      1.00000
     84      -7.3137      1.00000
     85      -6.9970      1.00000
     86      -6.9233      1.00000
     87      -6.8849      1.00000
     88      -6.5351      1.00000
     89      -6.5211      1.00000
     90      -6.4874      1.00000
     91      -6.4269      1.00000
     92      -5.9340      1.00000
     93      -5.9141      1.00000
     94      -5.7966      1.00000
     95      -5.7809      1.00000
     96      -5.3772      1.00000
     97      -5.3684      1.00000
     98      -5.2299      1.00000
     99      -5.2217      1.00000
    100      -5.2036      1.00000
    101      -4.7245      1.00000
    102      -4.4460      1.00000
    103      -4.1951      1.00000
    104      -3.8248      1.00000
    105      -3.5702      1.00000
    106      -3.2244      1.00000
    107      -2.5704      0.00000
    108      -1.4686      0.00000
    109      -1.2692      0.00000
    110      -1.1908      0.00000
    111      -1.1886      0.00000
    112      -0.6489      0.00000
    113      -0.5540      0.00000
    114      -0.4190      0.00000
    115      -0.3497      0.00000
    116      -0.0808      0.00000
    117      -0.0650      0.00000
    118       0.1193      0.00000
    119       0.5889      0.00000
    120       0.6182      0.00000
    121       0.8231      0.00000
    122       0.9507      0.00000
    123       0.9764      0.00000
    124       1.4667      0.00000
    125       1.6450      0.00000
    126       1.6950      0.00000
    127       1.8046      0.00000
    128       2.0564      0.00000
    129       2.1341      0.00000
    130       2.1671      0.00000
    131       2.2057      0.00000
    132       2.2509      0.00000
    133       2.3341      0.00000
    134       2.4615      0.00000
    135       2.5015      0.00000
    136       2.6176      0.00000
    137       2.8466      0.00000
    138       2.8500      0.00000
    139       2.9200      0.00000
    140       2.9638      0.00000
    141       2.9921      0.00000
    142       3.0992      0.00000
    143       3.1800      0.00000
    144       3.2116      0.00000
    145       3.2144      0.00000
    146       3.2598      0.00000
    147       3.2830      0.00000
    148       3.3268      0.00000
    149       3.3531      0.00000
    150       3.4935      0.00000
    151       3.5293      0.00000
    152       3.6044      0.00000
    153       3.6138      0.00000
    154       3.6879      0.00000
    155       3.7033      0.00000
    156       3.8656      0.00000
    157       3.9190      0.00000
    158       3.9828      0.00000
    159       4.0156      0.00000
    160       4.1232      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2957      1.00000
      2     -22.0911      1.00000
      3     -21.7322      1.00000
      4     -21.6932      1.00000
      5     -20.9945      1.00000
      6     -20.9470      1.00000
      7     -20.6225      1.00000
      8     -20.5915      1.00000
      9     -20.5774      1.00000
     10     -20.0441      1.00000
     11     -19.5249      1.00000
     12     -19.4923      1.00000
     13     -19.3229      1.00000
     14     -19.3073      1.00000
     15     -18.4604      1.00000
     16     -18.4176      1.00000
     17     -17.9380      1.00000
     18     -17.9156      1.00000
     19     -17.7765      1.00000
     20     -17.7316      1.00000
     21     -17.4515      1.00000
     22     -17.4309      1.00000
     23     -17.3495      1.00000
     24     -16.4764      1.00000
     25     -16.4690      1.00000
     26     -15.9792      1.00000
     27     -15.4211      1.00000
     28     -15.4190      1.00000
     29     -15.1045      1.00000
     30     -15.1030      1.00000
     31     -14.8652      1.00000
     32     -14.8494      1.00000
     33     -14.3064      1.00000
     34     -14.2608      1.00000
     35     -13.4522      1.00000
     36     -13.4063      1.00000
     37     -13.1851      1.00000
     38     -13.1810      1.00000
     39     -12.9961      1.00000
     40     -12.9859      1.00000
     41     -12.6209      1.00000
     42     -12.6159      1.00000
     43     -12.2045      1.00000
     44     -11.5881      1.00000
     45     -11.5475      1.00000
     46     -11.3222      1.00000
     47     -11.2924      1.00000
     48     -11.1491      1.00000
     49     -10.6994      1.00000
     50     -10.6672      1.00000
     51     -10.5555      1.00000
     52     -10.3314      1.00000
     53     -10.3229      1.00000
     54     -10.1855      1.00000
     55     -10.1257      1.00000
     56     -10.1150      1.00000
     57      -9.8199      1.00000
     58      -9.7611      1.00000
     59      -9.7592      1.00000
     60      -9.7093      1.00000
     61      -9.7070      1.00000
     62      -9.6565      1.00000
     63      -9.3594      1.00000
     64      -9.3592      1.00000
     65      -9.3243      1.00000
     66      -9.0360      1.00000
     67      -8.9693      1.00000
     68      -8.9671      1.00000
     69      -8.7847      1.00000
     70      -8.5986      1.00000
     71      -8.5959      1.00000
     72      -8.4331      1.00000
     73      -8.3587      1.00000
     74      -8.3294      1.00000
     75      -8.3119      1.00000
     76      -8.2723      1.00000
     77      -8.2625      1.00000
     78      -8.2451      1.00000
     79      -7.9295      1.00000
     80      -7.7402      1.00000
     81      -7.3849      1.00000
     82      -7.3518      1.00000
     83      -7.3242      1.00000
     84      -7.2209      1.00000
     85      -7.1660      1.00000
     86      -7.0731      1.00000
     87      -6.9665      1.00000
     88      -6.9129      1.00000
     89      -6.6205      1.00000
     90      -6.5597      1.00000
     91      -6.2782      1.00000
     92      -6.0039      1.00000
     93      -5.9683      1.00000
     94      -5.6814      1.00000
     95      -5.6540      1.00000
     96      -5.3942      1.00000
     97      -5.3244      1.00000
     98      -5.3013      1.00000
     99      -5.2184      1.00000
    100      -5.2062      1.00000
    101      -4.5151      1.00000
    102      -4.3431      1.00000
    103      -3.9988      1.00000
    104      -3.8908      1.00000
    105      -3.7975      1.00000
    106      -3.4478      1.00000
    107      -2.0437      0.00000
    108      -1.8680      0.00000
    109      -1.2218      0.00000
    110      -1.1860      0.00000
    111      -1.0406      0.00000
    112      -0.7764      0.00000
    113      -0.6807      0.00000
    114      -0.6639      0.00000
    115      -0.6111      0.00000
    116      -0.1096      0.00000
    117       0.2220      0.00000
    118       0.2338      0.00000
    119       0.7349      0.00000
    120       0.9533      0.00000
    121       1.0631      0.00000
    122       1.2315      0.00000
    123       1.2399      0.00000
    124       1.3117      0.00000
    125       1.5536      0.00000
    126       1.5785      0.00000
    127       1.6564      0.00000
    128       1.7587      0.00000
    129       1.8979      0.00000
    130       1.9024      0.00000
    131       2.0743      0.00000
    132       2.2873      0.00000
    133       2.3266      0.00000
    134       2.3751      0.00000
    135       2.4901      0.00000
    136       2.5934      0.00000
    137       2.7559      0.00000
    138       2.8061      0.00000
    139       2.8137      0.00000
    140       2.8365      0.00000
    141       3.0099      0.00000
    142       3.0599      0.00000
    143       3.1000      0.00000
    144       3.1721      0.00000
    145       3.3298      0.00000
    146       3.3862      0.00000
    147       3.4615      0.00000
    148       3.4997      0.00000
    149       3.5624      0.00000
    150       3.5865      0.00000
    151       3.6064      0.00000
    152       3.7026      0.00000
    153       3.7106      0.00000
    154       3.7421      0.00000
    155       3.8036      0.00000
    156       3.8360      0.00000
    157       3.9639      0.00000
    158       4.0497      0.00000
    159       4.1256      0.00000
    160       4.1523      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0382   -7.3900    4.1980   -1.2740   -0.2380   17.5785    0.1494   -0.5333    0.6343   -0.4648
x    -3.0943   -0.0373   -0.0628    0.0615   -0.0091   -2.9760   -0.0108   -0.0071    0.0048    0.0016
x    -0.0961    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0382    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0007   -0.0943   -0.0090    0.0373    0.0376
y    -0.0452   -3.2502   -0.5366   -0.1645   -1.1760   -0.6049
z   204.0382    1.1215   -0.2807    0.0402    0.0089    0.0617    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0781    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.2100
z    -0.2823    0.1882   -0.0387    0.0469   -0.1054    0.0013
 total charge-density along one line
x   212.0000  -10.2204    6.1461   -2.0839   -0.4737   19.4980   -0.9936    0.4728   -0.0437   -0.1265
x    -2.6468   -0.0276   -0.0608    0.0844   -0.0531   -2.2242   -0.0247   -0.0027    0.0051    0.0021
x    -0.0894    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2204    6.1461   -2.0839   -0.4737   19.4980   -0.9936    0.4728   -0.0437   -0.1265
y    -2.6468   -0.0276   -0.0608    0.0844   -0.0531   -2.2242   -0.0247   -0.0027    0.0051    0.0021
y    -0.0894    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0005    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4921  189.2936 -170.3839  153.6857 -139.4894  125.4990 -110.1959   94.0571  -78.4466
z    64.2344  -51.5734   40.4981  -31.2851   24.1845  -18.9981   15.0789  -11.7579    8.7455   -6.1450
z     4.1512   -2.7765    1.8358   -1.1215    0.5473   -0.1328   -0.1064    0.2240   -0.3070    0.3992
z    -0.4766    0.4932   -0.4398    0.3547   -0.2864    0.2519   -0.2342    0.2092   -0.1712    0.1320
z    -0.1041    0.0884   -0.0771    0.0638   -0.0491    0.0374   -0.0310    0.0277   -0.0243    0.0197
z    -0.0151    0.0119   -0.0102    0.0089   -0.0074    0.0058   -0.0044    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.843   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.007   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.104   0.000   0.030   0.007   0.000   0.220
  0.000   0.130   0.000 -11.158   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.837   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.220   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.843   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.007   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.104   0.000   0.030   0.007   0.000   0.220
  0.000   0.130   0.000 -11.158   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.837   0.000   0.000  -0.004
  0.186   0.000   0.007   0.000   0.000   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.220   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
  0.000   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.055   0.000  -0.069   0.000  -0.024   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.213   0.000   0.000   0.268   0.000  -0.310   0.000   0.000   0.000   0.034   0.000  -0.115  -0.047
  0.051   0.000   1.796   0.000  -0.024  -0.052   0.000   0.301   0.000   0.028  -0.192  -0.030   0.000   0.094   0.000   0.000
  0.000   0.213   0.000   1.565   0.000   0.000  -0.311   0.000   0.627   0.000   0.000   0.000  -0.117   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.024   0.000   0.037   0.000   0.025  -0.051   0.010   0.000   0.026   0.000   0.000
  0.055   0.000  -0.052   0.000  -0.024   0.078   0.000  -0.131   0.000  -0.034  -0.280   0.082   0.000  -0.093   0.000   0.000
  0.000   0.268   0.000  -0.311   0.000   0.000   0.156   0.000  -0.190   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.301   0.000   0.037  -0.131   0.000   0.413   0.000   0.076   0.584  -0.238   0.000   0.058   0.000   0.000
  0.000  -0.310   0.000   0.627   0.000   0.000  -0.190   0.000   0.376   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.024   0.000   0.028   0.000   0.025  -0.034   0.000   0.076   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.192   0.000  -0.051  -0.280   0.000   0.584   0.000   0.164   1.367  -0.419   0.000   0.282   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.419   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.117   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.034  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.093   0.000   0.058   0.000   0.053   0.282  -0.034   0.000   0.262   0.000   0.000
  0.000  -0.115   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.034   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.643   0.260   8.028   8.932
  2        0.520   0.027   0.000   0.548
  3        0.520   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.649
  5        0.864   1.785   0.000   2.649
  6        0.864   1.784   0.000   2.647
  7        0.864   1.784   0.000   2.649
  8        0.864   1.783   0.000   2.647
  9        0.864   1.784   0.000   2.648
 10        0.864   1.785   0.000   2.650
 11        0.864   1.784   0.000   2.648
 12        0.863   1.786   0.000   2.649
 13        0.864   1.784   0.000   2.648
 14        0.864   1.785   0.000   2.649
 15        0.864   1.785   0.000   2.649
 16        0.864   1.775   0.000   2.640
 17        0.860   1.781   0.000   2.641
 18        0.863   1.786   0.000   2.650
 19        0.864   1.784   0.000   2.648
 20        0.864   1.784   0.000   2.648
 21        0.864   1.783   0.000   2.646
 22        0.864   1.772   0.000   2.636
 23        0.864   1.782   0.000   2.646
 24        0.864   1.784   0.000   2.648
 25        0.864   1.783   0.000   2.647
 26        0.864   1.782   0.000   2.646
 27        0.864   1.784   0.000   2.648
 28        0.864   1.785   0.000   2.649
 29        0.864   1.784   0.000   2.648
 30        0.864   1.785   0.000   2.649
 31        0.864   1.784   0.000   2.648
 32        0.864   1.782   0.000   2.646
 33        0.864   1.783   0.000   2.647
 34        0.864   1.784   0.000   2.648
 35        0.864   1.782   0.000   2.646
 36        0.864   1.772   0.000   2.636
 37        0.864   1.783   0.000   2.646
 38        0.864   1.784   0.000   2.648
 39        0.864   1.785   0.000   2.649
 40        0.863   1.786   0.000   2.650
 41        0.860   1.781   0.000   2.641
 42        0.864   1.775   0.000   2.640
 43        0.864   1.785   0.000   2.649
 44        0.864   1.784   0.000   2.648
 45        0.864   1.784   0.000   2.648
 46        0.863   1.786   0.000   2.649
 47        0.864   1.784   0.000   2.648
 48        0.864   1.785   0.000   2.650
 49        0.864   1.784   0.000   2.649
 50        0.864   1.783   0.000   2.647
 51        0.864   1.784   0.000   2.649
 52        0.864   1.784   0.000   2.647
 53        0.864   1.785   0.000   2.649
------------------------------------------------
tot       44.877  89.473   8.028 142.378
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  112.42: CPU time   56.84
    FORLOC:  VPU time    1.26: CPU time    1.25
    FORNL :  VPU time  437.06: CPU time  219.07
    STRESS:  VPU time 1314.99: CPU time  661.00
    FORCOR:  VPU time    8.65: CPU time    8.66
    FORHAR:  VPU time    2.28: CPU time    2.28
    MIXING:  VPU time    0.21: CPU time    0.20
 d Force =-0.2936176E-03[-0.555E-03,-0.320E-04]  d Energy =-0.9164257E-03 0.623E-03
 d Force = 0.1872796E+01[ 0.187E+01, 0.187E+01]  d Ewald  =-0.5449942E+02 0.564E+02


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.725511 eV

  energy  without entropy=     -471.725511  energy(sigma->0) =     -471.725511
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40895.64  40851.79 -47597.24    -37.98      0.00      0.00
  Hartree  40318.86  40300.02 -39578.04    -16.31      0.00      0.00
  E(xc)     -779.56   -779.85   -807.50     -0.25      0.00      0.00
  Local   -83498.40 -83444.41  84489.78     46.75      0.00      0.00
  n-local   -217.02   -215.93   -203.58      0.68      0.00      0.00
  augment     20.03     22.02     17.80      1.72      0.00      0.00
  Kinetic   3163.44   3177.20   3584.69      3.57      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.66      1.05     -0.16      0.34      0.00      0.00
  in kB        0.40      0.64     -0.10      0.21      0.00      0.00
  external pressure =        0.31 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.342645593 -0.000461579  0.000000000     0.081021657  0.046781983  0.000000000
    -6.171729176 10.688809923  0.000000000     0.000003499  0.093557805  0.000000000
     0.000000000  0.000000000 19.996626381     0.000000000  0.000000000  0.050008435

  length of vectors
    12.342645602 12.342645526 19.996626381     0.093557804  0.093557805  0.050008435


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.508E-05 -.487E-04 -.952E+03   0.447E-05 -.278E-04 0.961E+03   -.253E-20 0.170E-20 -.868E+01   0.854E-07 -.533E-07 0.877E-02
   0.322E+02 -.186E+02 -.135E+03   -.337E+02 0.194E+02 0.137E+03   0.154E+01 -.888E+00 -.252E+01   -.141E-02 0.811E-03 0.308E-02
   -.322E+02 0.186E+02 -.135E+03   0.337E+02 -.194E+02 0.137E+03   -.154E+01 0.888E+00 -.252E+01   0.141E-02 -.811E-03 0.308E-02
   -.227E+01 0.131E+01 0.163E+02   0.228E+01 -.132E+01 -.162E+02   -.497E-02 0.287E-02 -.252E-01   -.134E-02 0.768E-03 -.161E-02
   0.622E+01 0.661E+01 0.194E+02   -.623E+01 -.660E+01 -.194E+02   -.302E-02 0.379E-01 -.261E-01   0.197E-03 -.208E-02 -.204E-02
   0.111E+02 0.523E+01 0.162E+02   -.112E+02 -.525E+01 -.161E+02   0.242E-01 -.481E-03 -.462E-01   -.334E-03 0.105E-02 -.233E-02
   0.466E+01 -.853E+00 0.127E+02   -.467E+01 0.858E+00 -.126E+02   0.174E-01 -.112E-01 -.157E-01   -.528E-03 -.365E-03 -.230E-02
   -.316E+01 -.244E+01 0.126E+02   0.318E+01 0.242E+01 -.126E+02   0.124E-01 -.587E-02 -.136E-01   -.629E-03 0.537E-03 -.172E-02
   0.530E+00 0.396E+01 0.126E+02   -.508E+00 -.396E+01 -.126E+02   0.113E-01 -.783E-02 -.136E-01   -.785E-03 0.270E-03 -.172E-02
   0.251E+01 0.191E+02 0.240E+02   -.252E+01 -.193E+02 -.240E+02   -.225E-02 0.879E-01 -.499E-01   0.117E-02 0.572E-03 -.289E-02
   0.222E+02 0.215E+02 0.423E+02   -.223E+02 -.217E+02 -.422E+02   0.104E+00 0.252E+00 -.596E-01   -.327E-02 0.717E-03 -.479E-02
   0.268E+02 -.347E+01 0.256E+02   -.271E+02 0.358E+01 -.256E+02   0.255E+00 -.110E+00 -.338E-01   -.544E-03 -.699E-03 -.368E-02
   0.915E+01 -.528E+01 0.136E+02   -.920E+01 0.531E+01 -.136E+02   0.436E-01 -.252E-01 -.113E-01   0.997E-04 -.640E-04 -.175E-02
   0.307E+01 -.361E+01 0.127E+02   -.308E+01 0.361E+01 -.126E+02   0.184E-01 -.948E-02 -.157E-01   0.494E-04 0.636E-03 -.231E-02
   -.606E+01 0.136E+02 0.161E+02   0.608E+01 -.136E+02 -.161E+02   0.431E-02 0.761E-01 -.534E-01   -.991E-03 -.926E-03 -.264E-02
   -.119E+02 0.361E+02 0.479E+02   0.119E+02 -.367E+02 -.482E+02   -.235E-01 0.612E+00 0.293E+00   0.543E-03 -.333E-02 -.593E-02
   0.235E+02 -.136E+02 0.940E+02   -.242E+02 0.139E+02 -.960E+02   0.639E+00 -.369E+00 0.205E+01   -.270E-02 0.156E-02 -.794E-02
   0.164E+02 -.215E+02 0.256E+02   -.167E+02 0.217E+02 -.256E+02   0.223E+00 -.166E+00 -.338E-01   0.331E-03 0.813E-03 -.369E-02
   0.104E+01 -.123E+02 0.162E+02   -.103E+01 0.123E+02 -.161E+02   0.125E-01 -.207E-01 -.462E-01   -.108E-02 -.239E-03 -.233E-02
   -.426E+01 0.198E+01 0.116E+02   0.427E+01 -.200E+01 -.116E+02   0.453E-02 0.690E-02 -.444E-01   -.411E-03 0.658E-03 -.184E-02
   -.193E+02 0.111E+02 0.217E+02   0.193E+02 -.111E+02 -.216E+02   -.648E-01 0.374E-01 -.446E-01   0.139E-02 -.801E-03 -.275E-02
   -.372E+02 -.777E+01 0.479E+02   0.377E+02 0.804E+01 -.482E+02   -.542E+00 -.286E+00 0.293E+00   0.316E-02 0.120E-02 -.593E-02
   -.748E+01 -.300E+02 0.423E+02   0.771E+01 0.302E+02 -.422E+02   -.166E+00 -.216E+00 -.596E-01   -.225E-02 0.247E-02 -.479E-02
   -.261E+01 -.869E+01 0.194E+02   0.260E+01 0.870E+01 -.194E+02   -.343E-01 -.163E-01 -.261E-01   0.190E-02 0.869E-03 -.204E-02
   0.125E+01 -.721E+00 0.135E+02   -.123E+01 0.711E+00 -.134E+02   0.179E-01 -.103E-01 -.173E-01   -.974E-03 0.564E-03 -.150E-02
   -.384E+01 0.270E+01 0.116E+02   0.386E+01 -.270E+01 -.116E+02   -.371E-02 -.737E-02 -.444E-01   -.774E-03 0.316E-04 -.184E-02
   -.148E+02 -.154E+01 0.161E+02   0.148E+02 0.156E+01 -.161E+02   -.638E-01 -.418E-01 -.534E-01   0.308E-03 0.132E-02 -.263E-02
   -.153E+02 -.117E+02 0.240E+02   0.154E+02 0.118E+02 -.240E+02   -.773E-01 -.420E-01 -.499E-01   0.890E-04 -.130E-02 -.289E-02
   0.261E+01 0.869E+01 0.194E+02   -.260E+01 -.870E+01 -.194E+02   0.343E-01 0.163E-01 -.261E-01   -.190E-02 -.869E-03 -.204E-02
   0.153E+02 0.117E+02 0.240E+02   -.154E+02 -.118E+02 -.240E+02   0.773E-01 0.420E-01 -.499E-01   -.890E-04 0.130E-02 -.289E-02
   0.148E+02 0.154E+01 0.161E+02   -.148E+02 -.156E+01 -.161E+02   0.638E-01 0.418E-01 -.534E-01   -.308E-03 -.132E-02 -.263E-02
   0.384E+01 -.270E+01 0.116E+02   -.386E+01 0.270E+01 -.116E+02   0.371E-02 0.737E-02 -.444E-01   0.774E-03 -.316E-04 -.184E-02
   -.125E+01 0.721E+00 0.135E+02   0.123E+01 -.711E+00 -.134E+02   -.179E-01 0.103E-01 -.173E-01   0.974E-03 -.564E-03 -.150E-02
   -.104E+01 0.123E+02 0.162E+02   0.103E+01 -.123E+02 -.161E+02   -.125E-01 0.207E-01 -.462E-01   0.108E-02 0.239E-03 -.233E-02
   0.748E+01 0.300E+02 0.423E+02   -.771E+01 -.302E+02 -.422E+02   0.166E+00 0.216E+00 -.596E-01   0.225E-02 -.247E-02 -.479E-02
   0.372E+02 0.777E+01 0.479E+02   -.377E+02 -.804E+01 -.482E+02   0.542E+00 0.286E+00 0.293E+00   -.316E-02 -.120E-02 -.593E-02
   0.193E+02 -.111E+02 0.217E+02   -.193E+02 0.111E+02 -.216E+02   0.648E-01 -.374E-01 -.446E-01   -.139E-02 0.801E-03 -.275E-02
   0.426E+01 -.198E+01 0.116E+02   -.427E+01 0.200E+01 -.116E+02   -.453E-02 -.690E-02 -.444E-01   0.411E-03 -.658E-03 -.184E-02
   -.307E+01 0.361E+01 0.127E+02   0.308E+01 -.361E+01 -.126E+02   -.184E-01 0.948E-02 -.157E-01   -.495E-04 -.636E-03 -.231E-02
   -.164E+02 0.215E+02 0.256E+02   0.167E+02 -.217E+02 -.256E+02   -.223E+00 0.166E+00 -.338E-01   -.331E-03 -.813E-03 -.369E-02
   -.235E+02 0.136E+02 0.940E+02   0.242E+02 -.139E+02 -.960E+02   -.639E+00 0.369E+00 0.205E+01   0.270E-02 -.156E-02 -.794E-02
   0.119E+02 -.361E+02 0.479E+02   -.119E+02 0.367E+02 -.482E+02   0.235E-01 -.612E+00 0.293E+00   -.543E-03 0.333E-02 -.593E-02
   0.606E+01 -.136E+02 0.161E+02   -.608E+01 0.136E+02 -.161E+02   -.431E-02 -.761E-01 -.534E-01   0.991E-03 0.926E-03 -.264E-02
   -.530E+00 -.396E+01 0.126E+02   0.508E+00 0.396E+01 -.126E+02   -.113E-01 0.783E-02 -.136E-01   0.785E-03 -.270E-03 -.172E-02
   -.915E+01 0.528E+01 0.136E+02   0.920E+01 -.531E+01 -.136E+02   -.436E-01 0.252E-01 -.113E-01   -.997E-04 0.640E-04 -.175E-02
   -.268E+02 0.347E+01 0.256E+02   0.271E+02 -.358E+01 -.256E+02   -.255E+00 0.110E+00 -.338E-01   0.544E-03 0.699E-03 -.368E-02
   -.222E+02 -.215E+02 0.423E+02   0.223E+02 0.217E+02 -.422E+02   -.104E+00 -.252E+00 -.596E-01   0.327E-02 -.717E-03 -.479E-02
   -.251E+01 -.191E+02 0.240E+02   0.252E+01 0.193E+02 -.240E+02   0.225E-02 -.879E-01 -.499E-01   -.117E-02 -.572E-03 -.289E-02
   0.227E+01 -.131E+01 0.163E+02   -.228E+01 0.132E+01 -.162E+02   0.497E-02 -.287E-02 -.252E-01   0.134E-02 -.768E-03 -.161E-02
   0.316E+01 0.244E+01 0.126E+02   -.318E+01 -.242E+01 -.126E+02   -.124E-01 0.587E-02 -.136E-01   0.629E-03 -.537E-03 -.172E-02
   -.466E+01 0.853E+00 0.127E+02   0.467E+01 -.858E+00 -.126E+02   -.174E-01 0.112E-01 -.157E-01   0.528E-03 0.365E-03 -.230E-02
   -.111E+02 -.523E+01 0.162E+02   0.112E+02 0.525E+01 -.161E+02   -.242E-01 0.481E-03 -.462E-01   0.334E-03 -.105E-02 -.233E-02
   -.622E+01 -.661E+01 0.194E+02   0.623E+01 0.660E+01 -.194E+02   0.302E-02 -.379E-01 -.261E-01   -.197E-03 0.208E-02 -.204E-02
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.296E-03 0.102E+02   0.506E-13 -.203E-12 0.536E-12   -.343E-15 -.167E-15 -.100E+02   0.563E-07 -.437E-07 -.137E+00
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85117      6.05679     12.27123         0.000000      0.000000      0.059677
      1.07400      6.50549     13.53244         0.015992     -0.009233     -0.017658
      2.62833      5.60810     13.53244        -0.015992      0.009233     -0.017658
      0.00003     -0.00002      9.91595         0.011758     -0.006788     -0.000715
     -1.23449      2.13576      9.91454        -0.015820      0.042354      0.000560
     -2.46994      4.27548      9.93449         0.013398     -0.020577      0.000359
     -3.70352      6.41343      9.94210         0.005290     -0.006726      0.000621
     -4.93745      8.55127      9.93283         0.025692     -0.022780     -0.001028
      2.46830     -0.00014      9.93283         0.032574     -0.010860     -0.001028
      1.23361      2.13641      9.92409        -0.009397     -0.046333     -0.002524
     -0.00388      4.26973      9.93645         0.073932     -0.026651     -0.002171
     -1.23836      6.41374      9.95869        -0.025253      0.002074     -0.001597
     -2.46916      8.55113      9.94418        -0.006383      0.003686      0.000896
      4.93669      0.00016      9.94210         0.008470     -0.001218      0.000621
      3.70295      2.13548      9.94556         0.017403      0.018827     -0.002309
      2.46888      4.26679      9.97291         0.010844      0.007826     -0.001220
      1.22822      6.41645      9.97906         0.008769     -0.005063      0.009399
     -0.00273      8.55393      9.95869        -0.014422      0.020833     -0.001597
      7.40500      0.00082      9.93449         0.024520     -0.001315      0.000359
      6.17082      2.13761      9.94087         0.017815     -0.010573     -0.001049
      4.93784      4.27470      9.95371        -0.024828      0.014334     -0.001231
      3.71021      6.41684      9.97291        -0.001356     -0.013304     -0.001220
      2.47128      8.55684      9.93645         0.060047     -0.050701     -0.002171
      9.87578      0.00076      9.91454        -0.044590     -0.007477      0.000560
      8.63928      2.13767      9.92578         0.033912     -0.019579      0.000188
      7.40510      4.27545      9.94087         0.018064     -0.010142     -0.001049
      6.17301      6.41376      9.94556        -0.007603     -0.024485     -0.002309
      4.93754      8.55180      9.92409         0.035427      0.031305     -0.002524
     -0.00171      1.42401      9.91454         0.044590      0.007477      0.000560
     -1.23520      3.56178      9.92409        -0.035427     -0.031305     -0.002524
     -2.47068      5.69982      9.94556         0.007603      0.024485     -0.002309
     -3.70277      7.83813      9.94087        -0.018064      0.010142     -0.001049
     -4.93695      9.97591      9.92578        -0.033912      0.019579      0.000188
      2.46906      1.42395      9.93449        -0.024520      0.001315      0.000359
      1.23105      3.55675      9.93645        -0.060047      0.050701     -0.002171
     -0.00788      5.69675      9.97291         0.001356      0.013304     -0.001220
     -1.23551      7.83889      9.95371         0.024828     -0.014334     -0.001231
     -2.46849      9.97597      9.94087        -0.017815      0.010573     -0.001049
      4.93738      1.42461      9.94210        -0.008470      0.001218      0.000621
      3.70506      3.55966      9.95869         0.014422     -0.020833     -0.001597
      2.47412      5.69713      9.97906        -0.008769      0.005063      0.009399
      1.23345      7.84679      9.97291        -0.010844     -0.007826     -0.001220
     -0.00061      9.97810      9.94556        -0.017403     -0.018827     -0.002309
      7.40576      1.42492      9.93283        -0.032574      0.010860     -0.001028
      6.17149      3.56245      9.94418         0.006383     -0.003686      0.000896
      4.94069      5.69984      9.95869         0.025253     -0.002074     -0.001597
      3.70621      7.84385      9.93645        -0.073932      0.026651     -0.002171
      2.46872      9.97717      9.92409         0.009397      0.046333     -0.002524
      9.87403      1.42479      9.91595        -0.011758      0.006788     -0.000715
      8.63978      3.56232      9.93283        -0.025692      0.022780     -0.001028
      7.40586      5.70015      9.94210        -0.005290      0.006726      0.000621
      6.17227      7.83810      9.93449        -0.013398      0.020577      0.000359
      4.93683      9.97782      9.91454         0.015820     -0.042354      0.000560
 -----------------------------------------------------------------------------------
    total drift:                               -0.001812      0.000296      0.021541


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.81: CPU time    1.81
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.19: CPU time    1.19
    ORTHCH:  VPU time  181.90: CPU time   91.08
     LOOP+:  VPU time 9534.61: CPU time 4907.97


----------------------------------------- Iteration   15(   1)  ---------------------------------------


    POTLOK:  VPU time    8.88: CPU time    8.83
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1840.82: CPU time  949.33
 BZINTS: Fermi energy: -3.199265;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.19: CPU time   57.15
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1963.44: CPU time 1015.84

 eigenvalue-minimisations  :  6192
 total energy-change (2. order) :-0.4717267E+03  (-0.4371997E-02)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9592276 magnetization   -0.0000001

 Broyden mixing:
  rms(total) = 0.98505E-02    rms(broyden)= 0.98486E-02
  rms(prec ) = 0.11123E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34109.76928773
  -1/2 Hartree   DENC   =    -41003.04244532
  -V(xc)+E(xc)   XCENC  =       726.70677359
  PAW double counting   =      4096.71876336    -4135.07317647
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2472.24577418
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72671769 eV

  energy without entropy =     -471.72671769  energy(sigma->0) =     -471.72671769


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(   2)  ---------------------------------------


    POTLOK:  VPU time    9.02: CPU time    9.02
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1874.76: CPU time  968.51
 BZINTS: Fermi energy: -3.196849;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.33: CPU time   57.04
    MIXING:  VPU time    0.15: CPU time    0.15
    ------------------------------------------
      LOOP:  VPU time 1997.68: CPU time 1035.09

 eigenvalue-minimisations  :  6352
 total energy-change (2. order) : 0.2783883E-03  (-0.1144100E-03)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9572331 magnetization   -0.0000002

 Broyden mixing:
  rms(total) = 0.59293E-02    rms(broyden)= 0.59289E-02
  rms(prec ) = 0.66740E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9613
  1.9613

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34109.76928773
  -1/2 Hartree   DENC   =    -41002.01861663
  -V(xc)+E(xc)   XCENC  =       726.66744737
  PAW double counting   =      4095.53410491    -4133.88213921
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2473.23637709
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72643930 eV

  energy without entropy =     -471.72643930  energy(sigma->0) =     -471.72643930


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(   3)  ---------------------------------------


    POTLOK:  VPU time    8.83: CPU time    8.83
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1830.41: CPU time  941.50
 BZINTS: Fermi energy: -3.191469;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.80: CPU time   57.37
    MIXING:  VPU time    0.18: CPU time    0.18
    ------------------------------------------
      LOOP:  VPU time 1953.62: CPU time 1008.25

 eigenvalue-minimisations  :  6136
 total energy-change (2. order) : 0.1368498E-03  (-0.5216902E-04)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9585339 magnetization    0.0000003

 Broyden mixing:
  rms(total) = 0.12202E-02    rms(broyden)= 0.12196E-02
  rms(prec ) = 0.13689E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4970
  2.1135  0.8805

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34109.76928773
  -1/2 Hartree   DENC   =    -41000.65547917
  -V(xc)+E(xc)   XCENC  =       726.61930724
  PAW double counting   =      4094.13894438    -4132.48153100
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.55668522
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72630245 eV

  energy without entropy =     -471.72630245  energy(sigma->0) =     -471.72630245


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(   4)  ---------------------------------------


    POTLOK:  VPU time    8.30: CPU time    8.30
    SETDIJ:  VPU time    0.33: CPU time    0.34
    EDDAV :  VPU time 1448.35: CPU time  745.51
 BZINTS: Fermi energy: -3.189595;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1457.04: CPU time  754.18

 eigenvalue-minimisations  :  4392
 total energy-change (2. order) :-0.6146336E-05  (-0.4177396E-05)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9585339 magnetization    0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34109.76928773
  -1/2 Hartree   DENC   =    -41000.50943341
  -V(xc)+E(xc)   XCENC  =       726.61560348
  PAW double counting   =      4094.16967145    -4132.51358331
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.69770814
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72630860 eV

  energy without entropy =     -471.72630860  energy(sigma->0) =     -471.72630860


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2169       2 -39.5316       3 -39.5317       4 -58.3129       5 -58.3169
       6 -58.3194       7 -58.3139       8 -58.3143       9 -58.3143      10 -58.3207
      11 -58.3868      12 -58.3505      13 -58.3224      14 -58.3139      15 -58.3236
      16 -58.5419      17 -58.7283      18 -58.3506      19 -58.3194      20 -58.3190
      21 -58.3568      22 -58.5420      23 -58.3868      24 -58.3169      25 -58.3223
      26 -58.3190      27 -58.3236      28 -58.3207      29 -58.3168      30 -58.3206
      31 -58.3235      32 -58.3189      33 -58.3222      34 -58.3193      35 -58.3867
      36 -58.5419      37 -58.3568      38 -58.3189      39 -58.3138      40 -58.3504
      41 -58.7282      42 -58.5419      43 -58.3235      44 -58.3142      45 -58.3222
      46 -58.3504      47 -58.3867      48 -58.3206      49 -58.3128      50 -58.3142
      51 -58.3138      52 -58.3193      53 -58.3168
 
 
 
 E-fermi :  -3.1896     XC(G=0):  -2.3733     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4267      1.00000
      2     -21.6032      1.00000
      3     -21.4818      1.00000
      4     -21.4726      1.00000
      5     -21.4411      1.00000
      6     -21.4404      1.00000
      7     -21.4300      1.00000
      8     -19.7075      1.00000
      9     -19.6525      1.00000
     10     -19.6288      1.00000
     11     -19.6188      1.00000
     12     -19.6136      1.00000
     13     -19.6114      1.00000
     14     -18.7903      1.00000
     15     -18.7543      1.00000
     16     -18.7340      1.00000
     17     -18.7246      1.00000
     18     -18.7176      1.00000
     19     -18.7136      1.00000
     20     -16.6333      1.00000
     21     -16.6085      1.00000
     22     -16.5845      1.00000
     23     -16.5807      1.00000
     24     -16.5538      1.00000
     25     -16.5521      1.00000
     26     -15.6136      1.00000
     27     -15.6034      1.00000
     28     -15.5992      1.00000
     29     -15.5640      1.00000
     30     -15.5627      1.00000
     31     -15.5597      1.00000
     32     -14.2589      1.00000
     33     -14.2492      1.00000
     34     -14.2407      1.00000
     35     -14.2359      1.00000
     36     -14.2209      1.00000
     37     -14.2191      1.00000
     38     -11.9051      1.00000
     39     -11.8786      1.00000
     40     -11.8687      1.00000
     41     -11.8630      1.00000
     42     -11.8432      1.00000
     43     -11.8430      1.00000
     44     -11.7703      1.00000
     45     -11.7681      1.00000
     46     -11.7342      1.00000
     47     -11.7280      1.00000
     48     -11.7249      1.00000
     49     -11.7219      1.00000
     50     -10.6758      1.00000
     51     -10.3869      1.00000
     52     -10.3837      1.00000
     53     -10.3762      1.00000
     54     -10.3671      1.00000
     55     -10.3559      1.00000
     56     -10.3527      1.00000
     57      -9.9034      1.00000
     58      -9.4503      1.00000
     59      -9.4051      1.00000
     60      -9.3621      1.00000
     61      -9.3616      1.00000
     62      -9.3536      1.00000
     63      -9.1411      1.00000
     64      -9.1223      1.00000
     65      -9.1198      1.00000
     66      -9.0849      1.00000
     67      -9.0707      1.00000
     68      -9.0697      1.00000
     69      -9.0675      1.00000
     70      -9.0640      1.00000
     71      -9.0631      1.00000
     72      -9.0364      1.00000
     73      -9.0266      1.00000
     74      -9.0257      1.00000
     75      -8.1283      1.00000
     76      -7.7439      1.00000
     77      -7.4692      1.00000
     78      -7.4651      1.00000
     79      -7.4518      1.00000
     80      -7.4335      1.00000
     81      -7.4236      1.00000
     82      -7.4039      1.00000
     83      -7.3115      1.00000
     84      -7.2710      1.00000
     85      -7.2570      1.00000
     86      -7.2478      1.00000
     87      -7.1491      1.00000
     88      -7.0469      1.00000
     89      -6.4454      1.00000
     90      -6.4145      1.00000
     91      -6.3989      1.00000
     92      -6.3629      1.00000
     93      -6.3527      1.00000
     94      -6.3395      1.00000
     95      -5.9590      1.00000
     96      -5.9550      1.00000
     97      -4.8046      1.00000
     98      -4.5435      1.00000
     99      -4.4805      1.00000
    100      -4.4734      1.00000
    101      -4.3817      1.00000
    102      -4.3808      1.00000
    103      -4.2656      1.00000
    104      -4.1859      1.00000
    105      -3.7379      1.00000
    106      -3.4764      1.00000
    107      -1.8629      0.00000
    108      -1.6689      0.00000
    109      -1.6218      0.00000
    110      -1.5896      0.00000
    111      -1.5744      0.00000
    112      -1.5734      0.00000
    113      -0.4284      0.00000
    114       0.1483      0.00000
    115       0.1924      0.00000
    116       0.2560      0.00000
    117       0.2693      0.00000
    118       0.2732      0.00000
    119       0.4784      0.00000
    120       0.5414      0.00000
    121       1.2357      0.00000
    122       1.2895      0.00000
    123       1.5118      0.00000
    124       1.7658      0.00000
    125       1.7684      0.00000
    126       1.7686      0.00000
    127       1.7776      0.00000
    128       1.8280      0.00000
    129       1.9586      0.00000
    130       1.9663      0.00000
    131       1.9770      0.00000
    132       1.9914      0.00000
    133       1.9982      0.00000
    134       2.0714      0.00000
    135       2.2347      0.00000
    136       2.3320      0.00000
    137       2.5831      0.00000
    138       2.5832      0.00000
    139       2.6080      0.00000
    140       2.6555      0.00000
    141       2.9179      0.00000
    142       3.0148      0.00000
    143       3.0344      0.00000
    144       3.0626      0.00000
    145       3.0628      0.00000
    146       3.0684      0.00000
    147       3.0694      0.00000
    148       3.2426      0.00000
    149       3.4207      0.00000
    150       3.4781      0.00000
    151       3.7931      0.00000
    152       3.8895      0.00000
    153       3.8930      0.00000
    154       3.8936      0.00000
    155       3.9319      0.00000
    156       3.9772      0.00000
    157       4.1592      0.00000
    158       4.2515      0.00000
    159       4.2565      0.00000
    160       4.2775      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3900      1.00000
      2     -21.8308      1.00000
      3     -21.6384      1.00000
      4     -21.6108      1.00000
      5     -21.2748      1.00000
      6     -21.2356      1.00000
      7     -21.0571      1.00000
      8     -20.1677      1.00000
      9     -20.1296      1.00000
     10     -19.6089      1.00000
     11     -19.5973      1.00000
     12     -19.4172      1.00000
     13     -19.0894      1.00000
     14     -19.0606      1.00000
     15     -19.0488      1.00000
     16     -19.0408      1.00000
     17     -18.3607      1.00000
     18     -18.3517      1.00000
     19     -18.0187      1.00000
     20     -17.0685      1.00000
     21     -17.0300      1.00000
     22     -16.9432      1.00000
     23     -16.9398      1.00000
     24     -16.4671      1.00000
     25     -16.4633      1.00000
     26     -15.6128      1.00000
     27     -15.6077      1.00000
     28     -15.2519      1.00000
     29     -15.2425      1.00000
     30     -15.1847      1.00000
     31     -15.0983      1.00000
     32     -15.0705      1.00000
     33     -14.6982      1.00000
     34     -14.6956      1.00000
     35     -13.7261      1.00000
     36     -13.7227      1.00000
     37     -13.2354      1.00000
     38     -12.6141      1.00000
     39     -12.5832      1.00000
     40     -12.4543      1.00000
     41     -12.4501      1.00000
     42     -12.1084      1.00000
     43     -12.1029      1.00000
     44     -11.7162      1.00000
     45     -11.6855      1.00000
     46     -11.2342      1.00000
     47     -11.2254      1.00000
     48     -11.0173      1.00000
     49     -11.0091      1.00000
     50     -10.9253      1.00000
     51     -10.9045      1.00000
     52     -10.6308      1.00000
     53     -10.1547      1.00000
     54     -10.1505      1.00000
     55     -10.0914      1.00000
     56      -9.9982      1.00000
     57      -9.7012      1.00000
     58      -9.6950      1.00000
     59      -9.6552      1.00000
     60      -9.5917      1.00000
     61      -9.5745      1.00000
     62      -9.5586      1.00000
     63      -9.3066      1.00000
     64      -9.3025      1.00000
     65      -9.2736      1.00000
     66      -9.2353      1.00000
     67      -9.1364      1.00000
     68      -9.1150      1.00000
     69      -9.1101      1.00000
     70      -8.9393      1.00000
     71      -8.8708      1.00000
     72      -8.6020      1.00000
     73      -8.5899      1.00000
     74      -8.2353      1.00000
     75      -8.1000      1.00000
     76      -7.9125      1.00000
     77      -7.8622      1.00000
     78      -7.7716      1.00000
     79      -7.7552      1.00000
     80      -7.6906      1.00000
     81      -7.5588      1.00000
     82      -7.3392      1.00000
     83      -7.3212      1.00000
     84      -7.2040      1.00000
     85      -7.1218      1.00000
     86      -7.0307      1.00000
     87      -7.0103      1.00000
     88      -6.7037      1.00000
     89      -6.6770      1.00000
     90      -6.6398      1.00000
     91      -6.5970      1.00000
     92      -6.1157      1.00000
     93      -6.0607      1.00000
     94      -6.0293      1.00000
     95      -6.0108      1.00000
     96      -5.7820      1.00000
     97      -4.9729      1.00000
     98      -4.8315      1.00000
     99      -4.7457      1.00000
    100      -4.6785      1.00000
    101      -4.4674      1.00000
    102      -4.2019      1.00000
    103      -4.1714      1.00000
    104      -4.1266      1.00000
    105      -3.7284      1.00000
    106      -3.4867      1.00000
    107      -1.8699      0.00000
    108      -1.8068      0.00000
    109      -1.5237      0.00000
    110      -1.3750      0.00000
    111      -1.3209      0.00000
    112      -1.2864      0.00000
    113      -0.7194      0.00000
    114      -0.3752      0.00000
    115      -0.2477      0.00000
    116       0.0376      0.00000
    117       0.5513      0.00000
    118       0.6993      0.00000
    119       0.7471      0.00000
    120       1.0478      0.00000
    121       1.1004      0.00000
    122       1.1468      0.00000
    123       1.2266      0.00000
    124       1.3694      0.00000
    125       1.5137      0.00000
    126       1.5646      0.00000
    127       1.7067      0.00000
    128       1.7936      0.00000
    129       1.8554      0.00000
    130       1.8818      0.00000
    131       2.0869      0.00000
    132       2.1732      0.00000
    133       2.2315      0.00000
    134       2.2849      0.00000
    135       2.4911      0.00000
    136       2.5632      0.00000
    137       2.6045      0.00000
    138       2.7456      0.00000
    139       2.7812      0.00000
    140       2.8222      0.00000
    141       2.8291      0.00000
    142       2.8749      0.00000
    143       2.9198      0.00000
    144       3.0517      0.00000
    145       3.1312      0.00000
    146       3.2774      0.00000
    147       3.3517      0.00000
    148       3.4023      0.00000
    149       3.4343      0.00000
    150       3.5702      0.00000
    151       3.6236      0.00000
    152       3.6255      0.00000
    153       3.6822      0.00000
    154       3.8670      0.00000
    155       3.9290      0.00000
    156       3.9943      0.00000
    157       4.0426      0.00000
    158       4.1840      0.00000
    159       4.2195      0.00000
    160       4.2503      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2840      1.00000
      2     -22.0783      1.00000
      3     -21.7169      1.00000
      4     -21.6852      1.00000
      5     -20.9796      1.00000
      6     -20.9391      1.00000
      7     -20.6120      1.00000
      8     -20.5752      1.00000
      9     -20.5693      1.00000
     10     -20.0327      1.00000
     11     -19.5037      1.00000
     12     -19.4914      1.00000
     13     -19.3072      1.00000
     14     -19.3012      1.00000
     15     -18.4474      1.00000
     16     -18.4108      1.00000
     17     -17.9223      1.00000
     18     -17.9124      1.00000
     19     -17.7612      1.00000
     20     -17.7256      1.00000
     21     -17.4357      1.00000
     22     -17.4281      1.00000
     23     -17.3402      1.00000
     24     -16.4624      1.00000
     25     -16.4615      1.00000
     26     -15.9672      1.00000
     27     -15.4133      1.00000
     28     -15.4088      1.00000
     29     -15.0959      1.00000
     30     -15.0928      1.00000
     31     -14.8544      1.00000
     32     -14.8457      1.00000
     33     -14.2904      1.00000
     34     -14.2568      1.00000
     35     -13.4367      1.00000
     36     -13.4034      1.00000
     37     -13.1770      1.00000
     38     -13.1727      1.00000
     39     -12.9821      1.00000
     40     -12.9768      1.00000
     41     -12.6125      1.00000
     42     -12.6082      1.00000
     43     -12.1973      1.00000
     44     -11.5754      1.00000
     45     -11.5419      1.00000
     46     -11.3095      1.00000
     47     -11.2871      1.00000
     48     -11.1415      1.00000
     49     -10.6745      1.00000
     50     -10.6606      1.00000
     51     -10.5527      1.00000
     52     -10.3233      1.00000
     53     -10.3166      1.00000
     54     -10.1690      1.00000
     55     -10.1147      1.00000
     56     -10.1114      1.00000
     57      -9.7978      1.00000
     58      -9.7649      1.00000
     59      -9.7510      1.00000
     60      -9.6988      1.00000
     61      -9.6969      1.00000
     62      -9.6619      1.00000
     63      -9.3543      1.00000
     64      -9.3502      1.00000
     65      -9.3142      1.00000
     66      -9.0403      1.00000
     67      -8.9621      1.00000
     68      -8.9478      1.00000
     69      -8.7992      1.00000
     70      -8.5936      1.00000
     71      -8.5569      1.00000
     72      -8.3977      1.00000
     73      -8.3645      1.00000
     74      -8.3227      1.00000
     75      -8.3062      1.00000
     76      -8.2570      1.00000
     77      -8.2559      1.00000
     78      -8.2348      1.00000
     79      -7.9036      1.00000
     80      -7.6494      1.00000
     81      -7.5475      1.00000
     82      -7.3869      1.00000
     83      -7.3482      1.00000
     84      -7.2306      1.00000
     85      -7.0958      1.00000
     86      -7.0374      1.00000
     87      -6.9332      1.00000
     88      -6.8467      1.00000
     89      -6.6104      1.00000
     90      -6.5584      1.00000
     91      -6.2675      1.00000
     92      -6.0426      1.00000
     93      -5.9508      1.00000
     94      -5.6615      1.00000
     95      -5.6223      1.00000
     96      -5.4618      1.00000
     97      -5.3187      1.00000
     98      -5.2777      1.00000
     99      -5.2124      1.00000
    100      -5.1936      1.00000
    101      -4.5069      1.00000
    102      -4.2061      1.00000
    103      -4.0585      1.00000
    104      -3.9880      1.00000
    105      -3.6934      1.00000
    106      -3.4970      1.00000
    107      -1.9443      0.00000
    108      -1.8951      0.00000
    109      -1.3384      0.00000
    110      -1.0841      0.00000
    111      -1.0558      0.00000
    112      -0.7997      0.00000
    113      -0.6754      0.00000
    114      -0.6462      0.00000
    115      -0.6056      0.00000
    116      -0.1076      0.00000
    117       0.2172      0.00000
    118       0.3297      0.00000
    119       0.6892      0.00000
    120       0.8836      0.00000
    121       1.1269      0.00000
    122       1.2001      0.00000
    123       1.3203      0.00000
    124       1.4122      0.00000
    125       1.5519      0.00000
    126       1.5753      0.00000
    127       1.6646      0.00000
    128       1.7941      0.00000
    129       1.8561      0.00000
    130       2.0355      0.00000
    131       2.0989      0.00000
    132       2.3103      0.00000
    133       2.3539      0.00000
    134       2.3801      0.00000
    135       2.5210      0.00000
    136       2.6161      0.00000
    137       2.7149      0.00000
    138       2.7260      0.00000
    139       2.7893      0.00000
    140       2.8534      0.00000
    141       3.0079      0.00000
    142       3.0446      0.00000
    143       3.1371      0.00000
    144       3.2430      0.00000
    145       3.3451      0.00000
    146       3.3911      0.00000
    147       3.4083      0.00000
    148       3.5355      0.00000
    149       3.5452      0.00000
    150       3.5800      0.00000
    151       3.6469      0.00000
    152       3.6600      0.00000
    153       3.7545      0.00000
    154       3.7706      0.00000
    155       3.7759      0.00000
    156       3.8668      0.00000
    157       3.9007      0.00000
    158       3.9658      0.00000
    159       4.1863      0.00000
    160       4.1993      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3179      1.00000
      2     -21.9632      1.00000
      3     -21.8940      1.00000
      4     -21.3812      1.00000
      5     -21.3521      1.00000
      6     -20.8399      1.00000
      7     -20.7746      1.00000
      8     -20.6243      1.00000
      9     -20.0775      1.00000
     10     -20.0723      1.00000
     11     -19.7169      1.00000
     12     -19.6924      1.00000
     13     -18.9961      1.00000
     14     -18.9909      1.00000
     15     -18.6405      1.00000
     16     -18.6248      1.00000
     17     -18.4619      1.00000
     18     -17.6746      1.00000
     19     -17.6245      1.00000
     20     -17.6218      1.00000
     21     -17.5798      1.00000
     22     -17.1264      1.00000
     23     -17.1046      1.00000
     24     -16.9622      1.00000
     25     -16.0020      1.00000
     26     -15.9282      1.00000
     27     -15.5857      1.00000
     28     -15.5856      1.00000
     29     -15.2851      1.00000
     30     -14.8644      1.00000
     31     -14.8368      1.00000
     32     -14.5784      1.00000
     33     -14.5364      1.00000
     34     -14.1673      1.00000
     35     -14.1541      1.00000
     36     -13.1486      1.00000
     37     -13.1008      1.00000
     38     -13.0291      1.00000
     39     -13.0187      1.00000
     40     -12.7084      1.00000
     41     -12.7047      1.00000
     42     -12.3411      1.00000
     43     -12.3099      1.00000
     44     -11.6345      1.00000
     45     -11.6208      1.00000
     46     -11.5703      1.00000
     47     -10.9482      1.00000
     48     -10.9155      1.00000
     49     -10.6321      1.00000
     50     -10.6244      1.00000
     51     -10.5470      1.00000
     52     -10.4989      1.00000
     53     -10.4987      1.00000
     54     -10.4402      1.00000
     55     -10.3604      1.00000
     56     -10.0992      1.00000
     57      -9.9034      1.00000
     58      -9.6087      1.00000
     59      -9.5560      1.00000
     60      -9.4517      1.00000
     61      -9.4110      1.00000
     62      -9.4044      1.00000
     63      -9.3772      1.00000
     64      -9.3771      1.00000
     65      -9.2872      1.00000
     66      -9.1667      1.00000
     67      -9.1413      1.00000
     68      -9.1120      1.00000
     69      -8.8633      1.00000
     70      -8.8560      1.00000
     71      -8.8145      1.00000
     72      -8.5965      1.00000
     73      -8.4796      1.00000
     74      -8.1971      1.00000
     75      -8.1619      1.00000
     76      -8.0077      1.00000
     77      -7.9631      1.00000
     78      -7.8512      1.00000
     79      -7.8402      1.00000
     80      -7.7032      1.00000
     81      -7.6959      1.00000
     82      -7.6212      1.00000
     83      -7.4474      1.00000
     84      -7.2993      1.00000
     85      -7.2512      1.00000
     86      -6.9049      1.00000
     87      -6.8913      1.00000
     88      -6.5876      1.00000
     89      -6.5503      1.00000
     90      -6.4070      1.00000
     91      -6.2533      1.00000
     92      -6.2322      1.00000
     93      -6.2021      1.00000
     94      -6.0218      1.00000
     95      -5.5484      1.00000
     96      -5.4877      1.00000
     97      -5.3490      1.00000
     98      -5.2182      1.00000
     99      -4.9793      1.00000
    100      -4.7316      1.00000
    101      -4.6772      1.00000
    102      -4.3858      1.00000
    103      -4.2015      1.00000
    104      -3.8697      1.00000
    105      -3.5462      1.00000
    106      -3.5090      1.00000
    107      -2.2538      0.00000
    108      -1.4565      0.00000
    109      -1.3685      0.00000
    110      -1.2401      0.00000
    111      -1.0968      0.00000
    112      -0.9445      0.00000
    113      -0.8631      0.00000
    114      -0.8027      0.00000
    115      -0.1390      0.00000
    116       0.1140      0.00000
    117       0.2425      0.00000
    118       0.3787      0.00000
    119       0.6462      0.00000
    120       0.8364      0.00000
    121       0.9377      0.00000
    122       1.0597      0.00000
    123       1.2271      0.00000
    124       1.4412      0.00000
    125       1.5300      0.00000
    126       1.7669      0.00000
    127       1.7860      0.00000
    128       1.8520      0.00000
    129       1.9497      0.00000
    130       2.0297      0.00000
    131       2.1600      0.00000
    132       2.1789      0.00000
    133       2.3928      0.00000
    134       2.4255      0.00000
    135       2.5114      0.00000
    136       2.6055      0.00000
    137       2.6358      0.00000
    138       2.6877      0.00000
    139       2.7349      0.00000
    140       2.8111      0.00000
    141       2.9291      0.00000
    142       3.0493      0.00000
    143       3.1790      0.00000
    144       3.1791      0.00000
    145       3.2209      0.00000
    146       3.2652      0.00000
    147       3.2976      0.00000
    148       3.4382      0.00000
    149       3.4797      0.00000
    150       3.6834      0.00000
    151       3.6946      0.00000
    152       3.7124      0.00000
    153       3.8475      0.00000
    154       3.8841      0.00000
    155       3.9052      0.00000
    156       3.9651      0.00000
    157       3.9878      0.00000
    158       4.0174      0.00000
    159       4.0243      0.00000
    160       4.0283      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2109      1.00000
      2     -22.1180      1.00000
      3     -21.9572      1.00000
      4     -21.4048      1.00000
      5     -21.0501      1.00000
      6     -21.0141      1.00000
      7     -20.5010      1.00000
      8     -20.4614      1.00000
      9     -20.2950      1.00000
     10     -20.2759      1.00000
     11     -19.9577      1.00000
     12     -19.8920      1.00000
     13     -18.8825      1.00000
     14     -18.8138      1.00000
     15     -18.3527      1.00000
     16     -18.3065      1.00000
     17     -18.1528      1.00000
     18     -18.1358      1.00000
     19     -17.8264      1.00000
     20     -17.7891      1.00000
     21     -17.2512      1.00000
     22     -17.2418      1.00000
     23     -17.1639      1.00000
     24     -17.1328      1.00000
     25     -16.1106      1.00000
     26     -15.8850      1.00000
     27     -15.8704      1.00000
     28     -15.8336      1.00000
     29     -15.2355      1.00000
     30     -14.5547      1.00000
     31     -14.5268      1.00000
     32     -14.2791      1.00000
     33     -13.9638      1.00000
     34     -13.9562      1.00000
     35     -13.8199      1.00000
     36     -13.8043      1.00000
     37     -13.6138      1.00000
     38     -13.5702      1.00000
     39     -13.3702      1.00000
     40     -12.6348      1.00000
     41     -12.1800      1.00000
     42     -12.1323      1.00000
     43     -12.0714      1.00000
     44     -12.0193      1.00000
     45     -11.6693      1.00000
     46     -11.6559      1.00000
     47     -11.1380      1.00000
     48     -11.1177      1.00000
     49     -10.7937      1.00000
     50     -10.7304      1.00000
     51     -10.5285      1.00000
     52     -10.2089      1.00000
     53     -10.2046      1.00000
     54     -10.1646      1.00000
     55     -10.0176      1.00000
     56     -10.0041      1.00000
     57      -9.9902      1.00000
     58      -9.8010      1.00000
     59      -9.7971      1.00000
     60      -9.7618      1.00000
     61      -9.7566      1.00000
     62      -9.4535      1.00000
     63      -9.4171      1.00000
     64      -9.0799      1.00000
     65      -9.0723      1.00000
     66      -9.0402      1.00000
     67      -8.9537      1.00000
     68      -8.8769      1.00000
     69      -8.7117      1.00000
     70      -8.6992      1.00000
     71      -8.5646      1.00000
     72      -8.5418      1.00000
     73      -8.4984      1.00000
     74      -8.4627      1.00000
     75      -8.4515      1.00000
     76      -8.2599      1.00000
     77      -8.1247      1.00000
     78      -8.0429      1.00000
     79      -7.9156      1.00000
     80      -7.8623      1.00000
     81      -7.6139      1.00000
     82      -7.5469      1.00000
     83      -7.4879      1.00000
     84      -7.2653      1.00000
     85      -6.9951      1.00000
     86      -6.9224      1.00000
     87      -6.8820      1.00000
     88      -6.5305      1.00000
     89      -6.4854      1.00000
     90      -6.4601      1.00000
     91      -6.4096      1.00000
     92      -5.9827      1.00000
     93      -5.8965      1.00000
     94      -5.7833      1.00000
     95      -5.7592      1.00000
     96      -5.4306      1.00000
     97      -5.3285      1.00000
     98      -5.2288      1.00000
     99      -5.2163      1.00000
    100      -5.1883      1.00000
    101      -4.6914      1.00000
    102      -4.4198      1.00000
    103      -4.2080      1.00000
    104      -3.8328      1.00000
    105      -3.5282      1.00000
    106      -3.2736      1.00000
    107      -2.5294      0.00000
    108      -1.4578      0.00000
    109      -1.2645      0.00000
    110      -1.2018      0.00000
    111      -1.1708      0.00000
    112      -0.7192      0.00000
    113      -0.5022      0.00000
    114      -0.4109      0.00000
    115      -0.3374      0.00000
    116      -0.1450      0.00000
    117      -0.0016      0.00000
    118       0.1947      0.00000
    119       0.5628      0.00000
    120       0.6137      0.00000
    121       0.7920      0.00000
    122       0.9015      0.00000
    123       1.1264      0.00000
    124       1.4801      0.00000
    125       1.6227      0.00000
    126       1.8253      0.00000
    127       1.9101      0.00000
    128       2.0871      0.00000
    129       2.1019      0.00000
    130       2.1179      0.00000
    131       2.1754      0.00000
    132       2.2809      0.00000
    133       2.3167      0.00000
    134       2.4582      0.00000
    135       2.5707      0.00000
    136       2.6414      0.00000
    137       2.8396      0.00000
    138       2.8698      0.00000
    139       2.8866      0.00000
    140       2.9579      0.00000
    141       2.9821      0.00000
    142       3.1282      0.00000
    143       3.1491      0.00000
    144       3.1941      0.00000
    145       3.2580      0.00000
    146       3.2756      0.00000
    147       3.2976      0.00000
    148       3.3400      0.00000
    149       3.4014      0.00000
    150       3.4195      0.00000
    151       3.5227      0.00000
    152       3.5974      0.00000
    153       3.6742      0.00000
    154       3.6949      0.00000
    155       3.7566      0.00000
    156       3.8856      0.00000
    157       3.8995      0.00000
    158       3.9809      0.00000
    159       4.1062      0.00000
    160       4.1924      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3178      1.00000
      2     -21.9647      1.00000
      3     -21.8926      1.00000
      4     -21.3849      1.00000
      5     -21.3485      1.00000
      6     -20.8397      1.00000
      7     -20.7733      1.00000
      8     -20.6252      1.00000
      9     -20.0897      1.00000
     10     -20.0610      1.00000
     11     -19.7186      1.00000
     12     -19.6897      1.00000
     13     -19.0097      1.00000
     14     -18.9788      1.00000
     15     -18.6495      1.00000
     16     -18.6170      1.00000
     17     -18.4606      1.00000
     18     -17.6604      1.00000
     19     -17.6464      1.00000
     20     -17.6103      1.00000
     21     -17.5778      1.00000
     22     -17.1368      1.00000
     23     -17.0971      1.00000
     24     -16.9649      1.00000
     25     -16.0073      1.00000
     26     -15.9236      1.00000
     27     -15.5983      1.00000
     28     -15.5750      1.00000
     29     -15.2798      1.00000
     30     -14.8760      1.00000
     31     -14.8292      1.00000
     32     -14.5739      1.00000
     33     -14.5364      1.00000
     34     -14.1636      1.00000
     35     -14.1595      1.00000
     36     -13.1612      1.00000
     37     -13.0953      1.00000
     38     -13.0223      1.00000
     39     -13.0178      1.00000
     40     -12.7170      1.00000
     41     -12.6940      1.00000
     42     -12.3404      1.00000
     43     -12.3132      1.00000
     44     -11.6309      1.00000
     45     -11.6219      1.00000
     46     -11.5702      1.00000
     47     -10.9404      1.00000
     48     -10.9224      1.00000
     49     -10.6681      1.00000
     50     -10.5886      1.00000
     51     -10.5723      1.00000
     52     -10.5006      1.00000
     53     -10.4881      1.00000
     54     -10.4375      1.00000
     55     -10.3552      1.00000
     56     -10.1036      1.00000
     57      -9.8976      1.00000
     58      -9.6074      1.00000
     59      -9.5504      1.00000
     60      -9.4536      1.00000
     61      -9.4178      1.00000
     62      -9.4086      1.00000
     63      -9.3785      1.00000
     64      -9.3708      1.00000
     65      -9.2672      1.00000
     66      -9.1646      1.00000
     67      -9.1403      1.00000
     68      -9.1157      1.00000
     69      -8.8653      1.00000
     70      -8.8592      1.00000
     71      -8.8019      1.00000
     72      -8.5962      1.00000
     73      -8.5261      1.00000
     74      -8.1925      1.00000
     75      -8.1697      1.00000
     76      -8.0749      1.00000
     77      -7.8559      1.00000
     78      -7.8361      1.00000
     79      -7.8224      1.00000
     80      -7.7093      1.00000
     81      -7.6947      1.00000
     82      -7.5963      1.00000
     83      -7.5283      1.00000
     84      -7.3494      1.00000
     85      -7.1655      1.00000
     86      -6.9045      1.00000
     87      -6.8941      1.00000
     88      -6.5914      1.00000
     89      -6.5507      1.00000
     90      -6.4038      1.00000
     91      -6.3010      1.00000
     92      -6.2465      1.00000
     93      -6.2006      1.00000
     94      -6.0033      1.00000
     95      -5.5307      1.00000
     96      -5.4650      1.00000
     97      -5.3131      1.00000
     98      -5.2089      1.00000
     99      -5.0455      1.00000
    100      -4.7222      1.00000
    101      -4.6710      1.00000
    102      -4.4223      1.00000
    103      -4.1931      1.00000
    104      -3.8415      1.00000
    105      -3.6334      1.00000
    106      -3.4148      1.00000
    107      -2.2922      0.00000
    108      -1.5089      0.00000
    109      -1.2689      0.00000
    110      -1.2610      0.00000
    111      -1.0331      0.00000
    112      -0.9751      0.00000
    113      -0.8667      0.00000
    114      -0.7980      0.00000
    115      -0.2612      0.00000
    116       0.2053      0.00000
    117       0.2410      0.00000
    118       0.3607      0.00000
    119       0.6859      0.00000
    120       0.8954      0.00000
    121       0.9240      0.00000
    122       1.0368      0.00000
    123       1.1618      0.00000
    124       1.5031      0.00000
    125       1.5400      0.00000
    126       1.6973      0.00000
    127       1.7774      0.00000
    128       1.8246      0.00000
    129       1.9458      0.00000
    130       1.9637      0.00000
    131       2.1686      0.00000
    132       2.2397      0.00000
    133       2.3985      0.00000
    134       2.4319      0.00000
    135       2.5085      0.00000
    136       2.5990      0.00000
    137       2.6193      0.00000
    138       2.6899      0.00000
    139       2.7174      0.00000
    140       2.8366      0.00000
    141       3.0224      0.00000
    142       3.0488      0.00000
    143       3.1615      0.00000
    144       3.2109      0.00000
    145       3.2234      0.00000
    146       3.2607      0.00000
    147       3.3074      0.00000
    148       3.4243      0.00000
    149       3.5001      0.00000
    150       3.6816      0.00000
    151       3.7156      0.00000
    152       3.7176      0.00000
    153       3.8124      0.00000
    154       3.8595      0.00000
    155       3.9009      0.00000
    156       3.9551      0.00000
    157       3.9929      0.00000
    158       4.0089      0.00000
    159       4.0173      0.00000
    160       4.0676      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3899      1.00000
      2     -21.8311      1.00000
      3     -21.6417      1.00000
      4     -21.6068      1.00000
      5     -21.2790      1.00000
      6     -21.2321      1.00000
      7     -21.0567      1.00000
      8     -20.1715      1.00000
      9     -20.1255      1.00000
     10     -19.6175      1.00000
     11     -19.5901      1.00000
     12     -19.4157      1.00000
     13     -19.0948      1.00000
     14     -19.0561      1.00000
     15     -19.0516      1.00000
     16     -19.0381      1.00000
     17     -18.3671      1.00000
     18     -18.3463      1.00000
     19     -18.0166      1.00000
     20     -17.0720      1.00000
     21     -17.0235      1.00000
     22     -16.9492      1.00000
     23     -16.9349      1.00000
     24     -16.4734      1.00000
     25     -16.4625      1.00000
     26     -15.6096      1.00000
     27     -15.6091      1.00000
     28     -15.2506      1.00000
     29     -15.2372      1.00000
     30     -15.1904      1.00000
     31     -15.1007      1.00000
     32     -15.0667      1.00000
     33     -14.6985      1.00000
     34     -14.6966      1.00000
     35     -13.7251      1.00000
     36     -13.7240      1.00000
     37     -13.2340      1.00000
     38     -12.6232      1.00000
     39     -12.5781      1.00000
     40     -12.4542      1.00000
     41     -12.4483      1.00000
     42     -12.1057      1.00000
     43     -12.0994      1.00000
     44     -11.7215      1.00000
     45     -11.6831      1.00000
     46     -11.2445      1.00000
     47     -11.2228      1.00000
     48     -11.0169      1.00000
     49     -11.0047      1.00000
     50     -10.9276      1.00000
     51     -10.8992      1.00000
     52     -10.6368      1.00000
     53     -10.1707      1.00000
     54     -10.1481      1.00000
     55     -10.0826      1.00000
     56      -9.9916      1.00000
     57      -9.6956      1.00000
     58      -9.6896      1.00000
     59      -9.6701      1.00000
     60      -9.5902      1.00000
     61      -9.5671      1.00000
     62      -9.5533      1.00000
     63      -9.3118      1.00000
     64      -9.2989      1.00000
     65      -9.2826      1.00000
     66      -9.2427      1.00000
     67      -9.1218      1.00000
     68      -9.1110      1.00000
     69      -9.1099      1.00000
     70      -8.9393      1.00000
     71      -8.8752      1.00000
     72      -8.6039      1.00000
     73      -8.5865      1.00000
     74      -8.2698      1.00000
     75      -8.0988      1.00000
     76      -7.8675      1.00000
     77      -7.8432      1.00000
     78      -7.7893      1.00000
     79      -7.7636      1.00000
     80      -7.7538      1.00000
     81      -7.4452      1.00000
     82      -7.3333      1.00000
     83      -7.3203      1.00000
     84      -7.2648      1.00000
     85      -7.1617      1.00000
     86      -7.0151      1.00000
     87      -6.9852      1.00000
     88      -6.7164      1.00000
     89      -6.6898      1.00000
     90      -6.6312      1.00000
     91      -6.5894      1.00000
     92      -6.1146      1.00000
     93      -6.0584      1.00000
     94      -6.0436      1.00000
     95      -6.0284      1.00000
     96      -5.7477      1.00000
     97      -4.9732      1.00000
     98      -4.8384      1.00000
     99      -4.7082      1.00000
    100      -4.6734      1.00000
    101      -4.4822      1.00000
    102      -4.3509      1.00000
    103      -4.1098      1.00000
    104      -4.0542      1.00000
    105      -3.7536      1.00000
    106      -3.4642      1.00000
    107      -1.9515      0.00000
    108      -1.7700      0.00000
    109      -1.4788      0.00000
    110      -1.3542      0.00000
    111      -1.3341      0.00000
    112      -1.2899      0.00000
    113      -0.6763      0.00000
    114      -0.4708      0.00000
    115      -0.2351      0.00000
    116       0.0525      0.00000
    117       0.5816      0.00000
    118       0.6927      0.00000
    119       0.7712      0.00000
    120       1.0238      0.00000
    121       1.0991      0.00000
    122       1.1742      0.00000
    123       1.2491      0.00000
    124       1.3290      0.00000
    125       1.4232      0.00000
    126       1.5777      0.00000
    127       1.7407      0.00000
    128       1.8393      0.00000
    129       1.8588      0.00000
    130       1.8845      0.00000
    131       2.0358      0.00000
    132       2.2061      0.00000
    133       2.2163      0.00000
    134       2.2630      0.00000
    135       2.4624      0.00000
    136       2.5797      0.00000
    137       2.6199      0.00000
    138       2.7290      0.00000
    139       2.7479      0.00000
    140       2.8356      0.00000
    141       2.8389      0.00000
    142       2.8416      0.00000
    143       2.9212      0.00000
    144       3.0566      0.00000
    145       3.2760      0.00000
    146       3.3346      0.00000
    147       3.3698      0.00000
    148       3.3900      0.00000
    149       3.3961      0.00000
    150       3.5456      0.00000
    151       3.6137      0.00000
    152       3.6353      0.00000
    153       3.7063      0.00000
    154       3.8754      0.00000
    155       3.8902      0.00000
    156       3.9271      0.00000
    157       4.0819      0.00000
    158       4.1728      0.00000
    159       4.2012      0.00000
    160       4.2577      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2100      1.00000
      2     -22.1193      1.00000
      3     -21.9569      1.00000
      4     -21.4048      1.00000
      5     -21.0462      1.00000
      6     -21.0180      1.00000
      7     -20.4959      1.00000
      8     -20.4664      1.00000
      9     -20.2863      1.00000
     10     -20.2844      1.00000
     11     -19.9566      1.00000
     12     -19.8935      1.00000
     13     -18.8831      1.00000
     14     -18.8156      1.00000
     15     -18.3379      1.00000
     16     -18.3181      1.00000
     17     -18.1489      1.00000
     18     -18.1412      1.00000
     19     -17.8158      1.00000
     20     -17.7972      1.00000
     21     -17.2572      1.00000
     22     -17.2379      1.00000
     23     -17.1604      1.00000
     24     -17.1349      1.00000
     25     -16.1152      1.00000
     26     -15.8808      1.00000
     27     -15.8697      1.00000
     28     -15.8390      1.00000
     29     -15.2310      1.00000
     30     -14.5504      1.00000
     31     -14.5323      1.00000
     32     -14.2756      1.00000
     33     -13.9739      1.00000
     34     -13.9501      1.00000
     35     -13.8229      1.00000
     36     -13.8013      1.00000
     37     -13.6039      1.00000
     38     -13.5783      1.00000
     39     -13.3699      1.00000
     40     -12.6376      1.00000
     41     -12.1686      1.00000
     42     -12.1420      1.00000
     43     -12.0682      1.00000
     44     -12.0213      1.00000
     45     -11.6632      1.00000
     46     -11.6588      1.00000
     47     -11.1358      1.00000
     48     -11.1250      1.00000
     49     -10.7904      1.00000
     50     -10.7340      1.00000
     51     -10.5352      1.00000
     52     -10.2072      1.00000
     53     -10.2014      1.00000
     54     -10.1703      1.00000
     55     -10.0217      1.00000
     56      -9.9938      1.00000
     57      -9.9889      1.00000
     58      -9.8041      1.00000
     59      -9.7949      1.00000
     60      -9.7627      1.00000
     61      -9.7555      1.00000
     62      -9.4541      1.00000
     63      -9.4169      1.00000
     64      -9.0834      1.00000
     65      -9.0445      1.00000
     66      -9.0247      1.00000
     67      -8.9701      1.00000
     68      -8.8976      1.00000
     69      -8.7068      1.00000
     70      -8.6981      1.00000
     71      -8.5597      1.00000
     72      -8.5493      1.00000
     73      -8.4771      1.00000
     74      -8.4589      1.00000
     75      -8.4561      1.00000
     76      -8.3080      1.00000
     77      -8.0945      1.00000
     78      -8.0889      1.00000
     79      -7.9241      1.00000
     80      -7.8306      1.00000
     81      -7.6001      1.00000
     82      -7.5373      1.00000
     83      -7.4418      1.00000
     84      -7.3110      1.00000
     85      -6.9910      1.00000
     86      -6.9168      1.00000
     87      -6.8792      1.00000
     88      -6.5281      1.00000
     89      -6.5140      1.00000
     90      -6.4805      1.00000
     91      -6.4195      1.00000
     92      -5.9260      1.00000
     93      -5.9050      1.00000
     94      -5.7883      1.00000
     95      -5.7736      1.00000
     96      -5.3689      1.00000
     97      -5.3616      1.00000
     98      -5.2204      1.00000
     99      -5.2145      1.00000
    100      -5.1972      1.00000
    101      -4.7189      1.00000
    102      -4.4406      1.00000
    103      -4.1892      1.00000
    104      -3.8191      1.00000
    105      -3.5645      1.00000
    106      -3.2193      1.00000
    107      -2.5626      0.00000
    108      -1.4629      0.00000
    109      -1.2644      0.00000
    110      -1.1847      0.00000
    111      -1.1829      0.00000
    112      -0.6437      0.00000
    113      -0.5496      0.00000
    114      -0.4138      0.00000
    115      -0.3458      0.00000
    116      -0.0758      0.00000
    117      -0.0610      0.00000
    118       0.1271      0.00000
    119       0.5938      0.00000
    120       0.6265      0.00000
    121       0.8500      0.00000
    122       0.9791      0.00000
    123       0.9995      0.00000
    124       1.4884      0.00000
    125       1.6706      0.00000
    126       1.7372      0.00000
    127       1.8370      0.00000
    128       2.0878      0.00000
    129       2.1115      0.00000
    130       2.1747      0.00000
    131       2.2106      0.00000
    132       2.2513      0.00000
    133       2.3327      0.00000
    134       2.4877      0.00000
    135       2.4982      0.00000
    136       2.6443      0.00000
    137       2.8538      0.00000
    138       2.8573      0.00000
    139       2.9389      0.00000
    140       2.9433      0.00000
    141       2.9939      0.00000
    142       3.1262      0.00000
    143       3.1627      0.00000
    144       3.2012      0.00000
    145       3.2363      0.00000
    146       3.2731      0.00000
    147       3.2981      0.00000
    148       3.3471      0.00000
    149       3.3882      0.00000
    150       3.5232      0.00000
    151       3.5493      0.00000
    152       3.6312      0.00000
    153       3.6350      0.00000
    154       3.6724      0.00000
    155       3.6918      0.00000
    156       3.8903      0.00000
    157       3.9168      0.00000
    158       4.0079      0.00000
    159       4.0530      0.00000
    160       4.1559      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2836      1.00000
      2     -22.0789      1.00000
      3     -21.7205      1.00000
      4     -21.6814      1.00000
      5     -20.9829      1.00000
      6     -20.9353      1.00000
      7     -20.6113      1.00000
      8     -20.5795      1.00000
      9     -20.5658      1.00000
     10     -20.0323      1.00000
     11     -19.5138      1.00000
     12     -19.4827      1.00000
     13     -19.3118      1.00000
     14     -19.2977      1.00000
     15     -18.4494      1.00000
     16     -18.4064      1.00000
     17     -17.9276      1.00000
     18     -17.9064      1.00000
     19     -17.7657      1.00000
     20     -17.7208      1.00000
     21     -17.4415      1.00000
     22     -17.4222      1.00000
     23     -17.3382      1.00000
     24     -16.4695      1.00000
     25     -16.4604      1.00000
     26     -15.9692      1.00000
     27     -15.4111      1.00000
     28     -15.4096      1.00000
     29     -15.0955      1.00000
     30     -15.0930      1.00000
     31     -14.8538      1.00000
     32     -14.8401      1.00000
     33     -14.2969      1.00000
     34     -14.2524      1.00000
     35     -13.4432      1.00000
     36     -13.3986      1.00000
     37     -13.1753      1.00000
     38     -13.1728      1.00000
     39     -12.9850      1.00000
     40     -12.9756      1.00000
     41     -12.6110      1.00000
     42     -12.6078      1.00000
     43     -12.1953      1.00000
     44     -11.5795      1.00000
     45     -11.5385      1.00000
     46     -11.3133      1.00000
     47     -11.2832      1.00000
     48     -11.1404      1.00000
     49     -10.6919      1.00000
     50     -10.6614      1.00000
     51     -10.5466      1.00000
     52     -10.3214      1.00000
     53     -10.3133      1.00000
     54     -10.1754      1.00000
     55     -10.1198      1.00000
     56     -10.1075      1.00000
     57      -9.8107      1.00000
     58      -9.7513      1.00000
     59      -9.7507      1.00000
     60      -9.7005      1.00000
     61      -9.6975      1.00000
     62      -9.6464      1.00000
     63      -9.3510      1.00000
     64      -9.3500      1.00000
     65      -9.3177      1.00000
     66      -9.0272      1.00000
     67      -8.9604      1.00000
     68      -8.9572      1.00000
     69      -8.7750      1.00000
     70      -8.5917      1.00000
     71      -8.5875      1.00000
     72      -8.4234      1.00000
     73      -8.3492      1.00000
     74      -8.3218      1.00000
     75      -8.3020      1.00000
     76      -8.2648      1.00000
     77      -8.2544      1.00000
     78      -8.2387      1.00000
     79      -7.9205      1.00000
     80      -7.7324      1.00000
     81      -7.3775      1.00000
     82      -7.3466      1.00000
     83      -7.3206      1.00000
     84      -7.2145      1.00000
     85      -7.1589      1.00000
     86      -7.0643      1.00000
     87      -6.9593      1.00000
     88      -6.9043      1.00000
     89      -6.6139      1.00000
     90      -6.5536      1.00000
     91      -6.2716      1.00000
     92      -5.9956      1.00000
     93      -5.9592      1.00000
     94      -5.6741      1.00000
     95      -5.6473      1.00000
     96      -5.3864      1.00000
     97      -5.3151      1.00000
     98      -5.2932      1.00000
     99      -5.2110      1.00000
    100      -5.1992      1.00000
    101      -4.5099      1.00000
    102      -4.3375      1.00000
    103      -3.9944      1.00000
    104      -3.8846      1.00000
    105      -3.7915      1.00000
    106      -3.4419      1.00000
    107      -2.0355      0.00000
    108      -1.8621      0.00000
    109      -1.2167      0.00000
    110      -1.1812      0.00000
    111      -1.0351      0.00000
    112      -0.7713      0.00000
    113      -0.6756      0.00000
    114      -0.6589      0.00000
    115      -0.6074      0.00000
    116      -0.1010      0.00000
    117       0.2250      0.00000
    118       0.2411      0.00000
    119       0.7634      0.00000
    120       0.9788      0.00000
    121       1.0734      0.00000
    122       1.2408      0.00000
    123       1.2503      0.00000
    124       1.3354      0.00000
    125       1.5719      0.00000
    126       1.5848      0.00000
    127       1.6827      0.00000
    128       1.7762      0.00000
    129       1.9340      0.00000
    130       1.9352      0.00000
    131       2.0598      0.00000
    132       2.2740      0.00000
    133       2.3370      0.00000
    134       2.4043      0.00000
    135       2.5184      0.00000
    136       2.6132      0.00000
    137       2.7352      0.00000
    138       2.7910      0.00000
    139       2.8326      0.00000
    140       2.8380      0.00000
    141       3.0037      0.00000
    142       3.0878      0.00000
    143       3.1339      0.00000
    144       3.1914      0.00000
    145       3.3550      0.00000
    146       3.4008      0.00000
    147       3.4708      0.00000
    148       3.5008      0.00000
    149       3.5822      0.00000
    150       3.5866      0.00000
    151       3.6174      0.00000
    152       3.7240      0.00000
    153       3.7247      0.00000
    154       3.7466      0.00000
    155       3.7836      0.00000
    156       3.8512      0.00000
    157       3.9934      0.00000
    158       4.0685      0.00000
    159       4.1449      0.00000
    160       4.1810      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4267      1.00000
      2     -21.6032      1.00000
      3     -21.4818      1.00000
      4     -21.4726      1.00000
      5     -21.4411      1.00000
      6     -21.4404      1.00000
      7     -21.4300      1.00000
      8     -19.7075      1.00000
      9     -19.6525      1.00000
     10     -19.6288      1.00000
     11     -19.6188      1.00000
     12     -19.6136      1.00000
     13     -19.6114      1.00000
     14     -18.7903      1.00000
     15     -18.7543      1.00000
     16     -18.7340      1.00000
     17     -18.7246      1.00000
     18     -18.7176      1.00000
     19     -18.7136      1.00000
     20     -16.6333      1.00000
     21     -16.6085      1.00000
     22     -16.5845      1.00000
     23     -16.5807      1.00000
     24     -16.5538      1.00000
     25     -16.5521      1.00000
     26     -15.6136      1.00000
     27     -15.6034      1.00000
     28     -15.5992      1.00000
     29     -15.5640      1.00000
     30     -15.5627      1.00000
     31     -15.5597      1.00000
     32     -14.2589      1.00000
     33     -14.2492      1.00000
     34     -14.2407      1.00000
     35     -14.2359      1.00000
     36     -14.2209      1.00000
     37     -14.2191      1.00000
     38     -11.9051      1.00000
     39     -11.8786      1.00000
     40     -11.8687      1.00000
     41     -11.8630      1.00000
     42     -11.8432      1.00000
     43     -11.8430      1.00000
     44     -11.7703      1.00000
     45     -11.7681      1.00000
     46     -11.7342      1.00000
     47     -11.7280      1.00000
     48     -11.7249      1.00000
     49     -11.7219      1.00000
     50     -10.6758      1.00000
     51     -10.3869      1.00000
     52     -10.3837      1.00000
     53     -10.3762      1.00000
     54     -10.3671      1.00000
     55     -10.3559      1.00000
     56     -10.3527      1.00000
     57      -9.9034      1.00000
     58      -9.4503      1.00000
     59      -9.4051      1.00000
     60      -9.3621      1.00000
     61      -9.3616      1.00000
     62      -9.3536      1.00000
     63      -9.1411      1.00000
     64      -9.1223      1.00000
     65      -9.1198      1.00000
     66      -9.0849      1.00000
     67      -9.0707      1.00000
     68      -9.0697      1.00000
     69      -9.0675      1.00000
     70      -9.0640      1.00000
     71      -9.0631      1.00000
     72      -9.0364      1.00000
     73      -9.0266      1.00000
     74      -9.0257      1.00000
     75      -8.1283      1.00000
     76      -7.7439      1.00000
     77      -7.4692      1.00000
     78      -7.4651      1.00000
     79      -7.4518      1.00000
     80      -7.4335      1.00000
     81      -7.4236      1.00000
     82      -7.4039      1.00000
     83      -7.3115      1.00000
     84      -7.2710      1.00000
     85      -7.2570      1.00000
     86      -7.2478      1.00000
     87      -7.1491      1.00000
     88      -7.0469      1.00000
     89      -6.4454      1.00000
     90      -6.4145      1.00000
     91      -6.3989      1.00000
     92      -6.3629      1.00000
     93      -6.3527      1.00000
     94      -6.3395      1.00000
     95      -5.9590      1.00000
     96      -5.9550      1.00000
     97      -4.8046      1.00000
     98      -4.5435      1.00000
     99      -4.4805      1.00000
    100      -4.4734      1.00000
    101      -4.3817      1.00000
    102      -4.3808      1.00000
    103      -4.2656      1.00000
    104      -4.1859      1.00000
    105      -3.7379      1.00000
    106      -3.4764      1.00000
    107      -1.8629      0.00000
    108      -1.6689      0.00000
    109      -1.6218      0.00000
    110      -1.5896      0.00000
    111      -1.5744      0.00000
    112      -1.5734      0.00000
    113      -0.4284      0.00000
    114       0.1483      0.00000
    115       0.1924      0.00000
    116       0.2560      0.00000
    117       0.2693      0.00000
    118       0.2732      0.00000
    119       0.4784      0.00000
    120       0.5414      0.00000
    121       1.2357      0.00000
    122       1.2896      0.00000
    123       1.5118      0.00000
    124       1.7658      0.00000
    125       1.7684      0.00000
    126       1.7686      0.00000
    127       1.7776      0.00000
    128       1.8280      0.00000
    129       1.9586      0.00000
    130       1.9663      0.00000
    131       1.9770      0.00000
    132       1.9914      0.00000
    133       1.9982      0.00000
    134       2.0714      0.00000
    135       2.2347      0.00000
    136       2.3320      0.00000
    137       2.5831      0.00000
    138       2.5832      0.00000
    139       2.6080      0.00000
    140       2.6555      0.00000
    141       2.9179      0.00000
    142       3.0146      0.00000
    143       3.0343      0.00000
    144       3.0625      0.00000
    145       3.0628      0.00000
    146       3.0684      0.00000
    147       3.0692      0.00000
    148       3.2427      0.00000
    149       3.4207      0.00000
    150       3.4781      0.00000
    151       3.7930      0.00000
    152       3.8895      0.00000
    153       3.8930      0.00000
    154       3.8936      0.00000
    155       3.9319      0.00000
    156       3.9772      0.00000
    157       4.1590      0.00000
    158       4.2513      0.00000
    159       4.2565      0.00000
    160       4.2775      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3900      1.00000
      2     -21.8308      1.00000
      3     -21.6384      1.00000
      4     -21.6108      1.00000
      5     -21.2748      1.00000
      6     -21.2356      1.00000
      7     -21.0571      1.00000
      8     -20.1677      1.00000
      9     -20.1296      1.00000
     10     -19.6089      1.00000
     11     -19.5973      1.00000
     12     -19.4172      1.00000
     13     -19.0894      1.00000
     14     -19.0606      1.00000
     15     -19.0488      1.00000
     16     -19.0408      1.00000
     17     -18.3607      1.00000
     18     -18.3517      1.00000
     19     -18.0187      1.00000
     20     -17.0685      1.00000
     21     -17.0300      1.00000
     22     -16.9432      1.00000
     23     -16.9398      1.00000
     24     -16.4671      1.00000
     25     -16.4633      1.00000
     26     -15.6128      1.00000
     27     -15.6077      1.00000
     28     -15.2519      1.00000
     29     -15.2425      1.00000
     30     -15.1847      1.00000
     31     -15.0983      1.00000
     32     -15.0705      1.00000
     33     -14.6982      1.00000
     34     -14.6956      1.00000
     35     -13.7261      1.00000
     36     -13.7227      1.00000
     37     -13.2354      1.00000
     38     -12.6141      1.00000
     39     -12.5832      1.00000
     40     -12.4543      1.00000
     41     -12.4501      1.00000
     42     -12.1084      1.00000
     43     -12.1029      1.00000
     44     -11.7162      1.00000
     45     -11.6855      1.00000
     46     -11.2342      1.00000
     47     -11.2254      1.00000
     48     -11.0173      1.00000
     49     -11.0091      1.00000
     50     -10.9253      1.00000
     51     -10.9045      1.00000
     52     -10.6308      1.00000
     53     -10.1547      1.00000
     54     -10.1505      1.00000
     55     -10.0914      1.00000
     56      -9.9982      1.00000
     57      -9.7012      1.00000
     58      -9.6950      1.00000
     59      -9.6552      1.00000
     60      -9.5917      1.00000
     61      -9.5745      1.00000
     62      -9.5586      1.00000
     63      -9.3066      1.00000
     64      -9.3025      1.00000
     65      -9.2736      1.00000
     66      -9.2353      1.00000
     67      -9.1364      1.00000
     68      -9.1150      1.00000
     69      -9.1101      1.00000
     70      -8.9393      1.00000
     71      -8.8708      1.00000
     72      -8.6020      1.00000
     73      -8.5899      1.00000
     74      -8.2353      1.00000
     75      -8.1000      1.00000
     76      -7.9125      1.00000
     77      -7.8622      1.00000
     78      -7.7716      1.00000
     79      -7.7552      1.00000
     80      -7.6906      1.00000
     81      -7.5588      1.00000
     82      -7.3392      1.00000
     83      -7.3212      1.00000
     84      -7.2040      1.00000
     85      -7.1218      1.00000
     86      -7.0307      1.00000
     87      -7.0103      1.00000
     88      -6.7037      1.00000
     89      -6.6770      1.00000
     90      -6.6398      1.00000
     91      -6.5970      1.00000
     92      -6.1157      1.00000
     93      -6.0607      1.00000
     94      -6.0293      1.00000
     95      -6.0108      1.00000
     96      -5.7820      1.00000
     97      -4.9729      1.00000
     98      -4.8315      1.00000
     99      -4.7457      1.00000
    100      -4.6785      1.00000
    101      -4.4674      1.00000
    102      -4.2019      1.00000
    103      -4.1714      1.00000
    104      -4.1266      1.00000
    105      -3.7284      1.00000
    106      -3.4867      1.00000
    107      -1.8699      0.00000
    108      -1.8068      0.00000
    109      -1.5237      0.00000
    110      -1.3750      0.00000
    111      -1.3209      0.00000
    112      -1.2864      0.00000
    113      -0.7194      0.00000
    114      -0.3752      0.00000
    115      -0.2477      0.00000
    116       0.0376      0.00000
    117       0.5513      0.00000
    118       0.6993      0.00000
    119       0.7471      0.00000
    120       1.0478      0.00000
    121       1.1004      0.00000
    122       1.1468      0.00000
    123       1.2266      0.00000
    124       1.3694      0.00000
    125       1.5137      0.00000
    126       1.5647      0.00000
    127       1.7067      0.00000
    128       1.7935      0.00000
    129       1.8554      0.00000
    130       1.8818      0.00000
    131       2.0869      0.00000
    132       2.1732      0.00000
    133       2.2315      0.00000
    134       2.2849      0.00000
    135       2.4911      0.00000
    136       2.5633      0.00000
    137       2.6045      0.00000
    138       2.7456      0.00000
    139       2.7812      0.00000
    140       2.8222      0.00000
    141       2.8290      0.00000
    142       2.8749      0.00000
    143       2.9197      0.00000
    144       3.0517      0.00000
    145       3.1312      0.00000
    146       3.2773      0.00000
    147       3.3516      0.00000
    148       3.4022      0.00000
    149       3.4343      0.00000
    150       3.5702      0.00000
    151       3.6236      0.00000
    152       3.6255      0.00000
    153       3.6822      0.00000
    154       3.8670      0.00000
    155       3.9289      0.00000
    156       3.9942      0.00000
    157       4.0425      0.00000
    158       4.1840      0.00000
    159       4.2195      0.00000
    160       4.2503      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2840      1.00000
      2     -22.0783      1.00000
      3     -21.7169      1.00000
      4     -21.6852      1.00000
      5     -20.9796      1.00000
      6     -20.9391      1.00000
      7     -20.6120      1.00000
      8     -20.5752      1.00000
      9     -20.5693      1.00000
     10     -20.0327      1.00000
     11     -19.5037      1.00000
     12     -19.4914      1.00000
     13     -19.3072      1.00000
     14     -19.3012      1.00000
     15     -18.4474      1.00000
     16     -18.4108      1.00000
     17     -17.9223      1.00000
     18     -17.9124      1.00000
     19     -17.7612      1.00000
     20     -17.7256      1.00000
     21     -17.4357      1.00000
     22     -17.4281      1.00000
     23     -17.3402      1.00000
     24     -16.4624      1.00000
     25     -16.4615      1.00000
     26     -15.9672      1.00000
     27     -15.4133      1.00000
     28     -15.4088      1.00000
     29     -15.0959      1.00000
     30     -15.0928      1.00000
     31     -14.8544      1.00000
     32     -14.8457      1.00000
     33     -14.2904      1.00000
     34     -14.2568      1.00000
     35     -13.4367      1.00000
     36     -13.4034      1.00000
     37     -13.1770      1.00000
     38     -13.1727      1.00000
     39     -12.9821      1.00000
     40     -12.9768      1.00000
     41     -12.6125      1.00000
     42     -12.6082      1.00000
     43     -12.1973      1.00000
     44     -11.5754      1.00000
     45     -11.5419      1.00000
     46     -11.3095      1.00000
     47     -11.2871      1.00000
     48     -11.1415      1.00000
     49     -10.6745      1.00000
     50     -10.6606      1.00000
     51     -10.5527      1.00000
     52     -10.3233      1.00000
     53     -10.3166      1.00000
     54     -10.1690      1.00000
     55     -10.1147      1.00000
     56     -10.1114      1.00000
     57      -9.7978      1.00000
     58      -9.7649      1.00000
     59      -9.7510      1.00000
     60      -9.6988      1.00000
     61      -9.6969      1.00000
     62      -9.6619      1.00000
     63      -9.3543      1.00000
     64      -9.3502      1.00000
     65      -9.3142      1.00000
     66      -9.0403      1.00000
     67      -8.9621      1.00000
     68      -8.9478      1.00000
     69      -8.7992      1.00000
     70      -8.5936      1.00000
     71      -8.5569      1.00000
     72      -8.3977      1.00000
     73      -8.3645      1.00000
     74      -8.3227      1.00000
     75      -8.3062      1.00000
     76      -8.2570      1.00000
     77      -8.2559      1.00000
     78      -8.2348      1.00000
     79      -7.9036      1.00000
     80      -7.6494      1.00000
     81      -7.5475      1.00000
     82      -7.3869      1.00000
     83      -7.3482      1.00000
     84      -7.2306      1.00000
     85      -7.0958      1.00000
     86      -7.0374      1.00000
     87      -6.9332      1.00000
     88      -6.8467      1.00000
     89      -6.6104      1.00000
     90      -6.5584      1.00000
     91      -6.2675      1.00000
     92      -6.0426      1.00000
     93      -5.9508      1.00000
     94      -5.6615      1.00000
     95      -5.6223      1.00000
     96      -5.4618      1.00000
     97      -5.3187      1.00000
     98      -5.2777      1.00000
     99      -5.2124      1.00000
    100      -5.1936      1.00000
    101      -4.5070      1.00000
    102      -4.2061      1.00000
    103      -4.0585      1.00000
    104      -3.9880      1.00000
    105      -3.6934      1.00000
    106      -3.4970      1.00000
    107      -1.9443      0.00000
    108      -1.8951      0.00000
    109      -1.3384      0.00000
    110      -1.0841      0.00000
    111      -1.0558      0.00000
    112      -0.7997      0.00000
    113      -0.6754      0.00000
    114      -0.6462      0.00000
    115      -0.6056      0.00000
    116      -0.1076      0.00000
    117       0.2172      0.00000
    118       0.3297      0.00000
    119       0.6892      0.00000
    120       0.8836      0.00000
    121       1.1269      0.00000
    122       1.2001      0.00000
    123       1.3203      0.00000
    124       1.4122      0.00000
    125       1.5519      0.00000
    126       1.5753      0.00000
    127       1.6646      0.00000
    128       1.7941      0.00000
    129       1.8561      0.00000
    130       2.0355      0.00000
    131       2.0988      0.00000
    132       2.3102      0.00000
    133       2.3539      0.00000
    134       2.3802      0.00000
    135       2.5210      0.00000
    136       2.6161      0.00000
    137       2.7150      0.00000
    138       2.7259      0.00000
    139       2.7892      0.00000
    140       2.8534      0.00000
    141       3.0079      0.00000
    142       3.0446      0.00000
    143       3.1371      0.00000
    144       3.2430      0.00000
    145       3.3451      0.00000
    146       3.3911      0.00000
    147       3.4083      0.00000
    148       3.5355      0.00000
    149       3.5452      0.00000
    150       3.5800      0.00000
    151       3.6469      0.00000
    152       3.6600      0.00000
    153       3.7545      0.00000
    154       3.7705      0.00000
    155       3.7758      0.00000
    156       3.8668      0.00000
    157       3.9007      0.00000
    158       3.9657      0.00000
    159       4.1863      0.00000
    160       4.1993      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3179      1.00000
      2     -21.9632      1.00000
      3     -21.8940      1.00000
      4     -21.3812      1.00000
      5     -21.3521      1.00000
      6     -20.8399      1.00000
      7     -20.7746      1.00000
      8     -20.6243      1.00000
      9     -20.0775      1.00000
     10     -20.0723      1.00000
     11     -19.7169      1.00000
     12     -19.6924      1.00000
     13     -18.9961      1.00000
     14     -18.9909      1.00000
     15     -18.6405      1.00000
     16     -18.6248      1.00000
     17     -18.4619      1.00000
     18     -17.6746      1.00000
     19     -17.6245      1.00000
     20     -17.6218      1.00000
     21     -17.5798      1.00000
     22     -17.1264      1.00000
     23     -17.1046      1.00000
     24     -16.9622      1.00000
     25     -16.0020      1.00000
     26     -15.9282      1.00000
     27     -15.5857      1.00000
     28     -15.5856      1.00000
     29     -15.2851      1.00000
     30     -14.8644      1.00000
     31     -14.8368      1.00000
     32     -14.5784      1.00000
     33     -14.5364      1.00000
     34     -14.1673      1.00000
     35     -14.1541      1.00000
     36     -13.1486      1.00000
     37     -13.1008      1.00000
     38     -13.0291      1.00000
     39     -13.0187      1.00000
     40     -12.7084      1.00000
     41     -12.7047      1.00000
     42     -12.3411      1.00000
     43     -12.3099      1.00000
     44     -11.6345      1.00000
     45     -11.6208      1.00000
     46     -11.5703      1.00000
     47     -10.9482      1.00000
     48     -10.9155      1.00000
     49     -10.6321      1.00000
     50     -10.6244      1.00000
     51     -10.5470      1.00000
     52     -10.4989      1.00000
     53     -10.4987      1.00000
     54     -10.4402      1.00000
     55     -10.3604      1.00000
     56     -10.0992      1.00000
     57      -9.9034      1.00000
     58      -9.6087      1.00000
     59      -9.5560      1.00000
     60      -9.4517      1.00000
     61      -9.4110      1.00000
     62      -9.4044      1.00000
     63      -9.3772      1.00000
     64      -9.3771      1.00000
     65      -9.2872      1.00000
     66      -9.1667      1.00000
     67      -9.1413      1.00000
     68      -9.1120      1.00000
     69      -8.8633      1.00000
     70      -8.8560      1.00000
     71      -8.8145      1.00000
     72      -8.5965      1.00000
     73      -8.4796      1.00000
     74      -8.1971      1.00000
     75      -8.1619      1.00000
     76      -8.0077      1.00000
     77      -7.9631      1.00000
     78      -7.8512      1.00000
     79      -7.8402      1.00000
     80      -7.7032      1.00000
     81      -7.6959      1.00000
     82      -7.6212      1.00000
     83      -7.4474      1.00000
     84      -7.2993      1.00000
     85      -7.2512      1.00000
     86      -6.9049      1.00000
     87      -6.8913      1.00000
     88      -6.5876      1.00000
     89      -6.5503      1.00000
     90      -6.4070      1.00000
     91      -6.2533      1.00000
     92      -6.2322      1.00000
     93      -6.2021      1.00000
     94      -6.0218      1.00000
     95      -5.5484      1.00000
     96      -5.4877      1.00000
     97      -5.3490      1.00000
     98      -5.2182      1.00000
     99      -4.9793      1.00000
    100      -4.7316      1.00000
    101      -4.6772      1.00000
    102      -4.3858      1.00000
    103      -4.2015      1.00000
    104      -3.8697      1.00000
    105      -3.5462      1.00000
    106      -3.5090      1.00000
    107      -2.2538      0.00000
    108      -1.4565      0.00000
    109      -1.3685      0.00000
    110      -1.2401      0.00000
    111      -1.0968      0.00000
    112      -0.9445      0.00000
    113      -0.8631      0.00000
    114      -0.8027      0.00000
    115      -0.1390      0.00000
    116       0.1140      0.00000
    117       0.2425      0.00000
    118       0.3787      0.00000
    119       0.6462      0.00000
    120       0.8364      0.00000
    121       0.9377      0.00000
    122       1.0597      0.00000
    123       1.2272      0.00000
    124       1.4412      0.00000
    125       1.5300      0.00000
    126       1.7669      0.00000
    127       1.7860      0.00000
    128       1.8520      0.00000
    129       1.9497      0.00000
    130       2.0297      0.00000
    131       2.1600      0.00000
    132       2.1789      0.00000
    133       2.3928      0.00000
    134       2.4254      0.00000
    135       2.5113      0.00000
    136       2.6055      0.00000
    137       2.6358      0.00000
    138       2.6878      0.00000
    139       2.7349      0.00000
    140       2.8110      0.00000
    141       2.9291      0.00000
    142       3.0493      0.00000
    143       3.1790      0.00000
    144       3.1791      0.00000
    145       3.2209      0.00000
    146       3.2652      0.00000
    147       3.2976      0.00000
    148       3.4382      0.00000
    149       3.4797      0.00000
    150       3.6833      0.00000
    151       3.6946      0.00000
    152       3.7124      0.00000
    153       3.8475      0.00000
    154       3.8840      0.00000
    155       3.9052      0.00000
    156       3.9651      0.00000
    157       3.9878      0.00000
    158       4.0173      0.00000
    159       4.0243      0.00000
    160       4.0283      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2109      1.00000
      2     -22.1180      1.00000
      3     -21.9572      1.00000
      4     -21.4048      1.00000
      5     -21.0501      1.00000
      6     -21.0141      1.00000
      7     -20.5010      1.00000
      8     -20.4614      1.00000
      9     -20.2950      1.00000
     10     -20.2759      1.00000
     11     -19.9577      1.00000
     12     -19.8920      1.00000
     13     -18.8825      1.00000
     14     -18.8138      1.00000
     15     -18.3527      1.00000
     16     -18.3065      1.00000
     17     -18.1528      1.00000
     18     -18.1358      1.00000
     19     -17.8264      1.00000
     20     -17.7891      1.00000
     21     -17.2512      1.00000
     22     -17.2418      1.00000
     23     -17.1639      1.00000
     24     -17.1328      1.00000
     25     -16.1106      1.00000
     26     -15.8850      1.00000
     27     -15.8704      1.00000
     28     -15.8336      1.00000
     29     -15.2355      1.00000
     30     -14.5547      1.00000
     31     -14.5268      1.00000
     32     -14.2791      1.00000
     33     -13.9638      1.00000
     34     -13.9562      1.00000
     35     -13.8199      1.00000
     36     -13.8043      1.00000
     37     -13.6138      1.00000
     38     -13.5702      1.00000
     39     -13.3702      1.00000
     40     -12.6348      1.00000
     41     -12.1800      1.00000
     42     -12.1323      1.00000
     43     -12.0714      1.00000
     44     -12.0193      1.00000
     45     -11.6693      1.00000
     46     -11.6559      1.00000
     47     -11.1380      1.00000
     48     -11.1177      1.00000
     49     -10.7937      1.00000
     50     -10.7304      1.00000
     51     -10.5285      1.00000
     52     -10.2089      1.00000
     53     -10.2046      1.00000
     54     -10.1646      1.00000
     55     -10.0176      1.00000
     56     -10.0041      1.00000
     57      -9.9902      1.00000
     58      -9.8010      1.00000
     59      -9.7971      1.00000
     60      -9.7618      1.00000
     61      -9.7566      1.00000
     62      -9.4535      1.00000
     63      -9.4171      1.00000
     64      -9.0799      1.00000
     65      -9.0723      1.00000
     66      -9.0402      1.00000
     67      -8.9537      1.00000
     68      -8.8769      1.00000
     69      -8.7117      1.00000
     70      -8.6992      1.00000
     71      -8.5646      1.00000
     72      -8.5418      1.00000
     73      -8.4984      1.00000
     74      -8.4627      1.00000
     75      -8.4515      1.00000
     76      -8.2599      1.00000
     77      -8.1247      1.00000
     78      -8.0429      1.00000
     79      -7.9156      1.00000
     80      -7.8623      1.00000
     81      -7.6139      1.00000
     82      -7.5469      1.00000
     83      -7.4879      1.00000
     84      -7.2653      1.00000
     85      -6.9951      1.00000
     86      -6.9224      1.00000
     87      -6.8820      1.00000
     88      -6.5305      1.00000
     89      -6.4854      1.00000
     90      -6.4601      1.00000
     91      -6.4096      1.00000
     92      -5.9827      1.00000
     93      -5.8965      1.00000
     94      -5.7833      1.00000
     95      -5.7592      1.00000
     96      -5.4306      1.00000
     97      -5.3285      1.00000
     98      -5.2288      1.00000
     99      -5.2163      1.00000
    100      -5.1883      1.00000
    101      -4.6914      1.00000
    102      -4.4198      1.00000
    103      -4.2080      1.00000
    104      -3.8328      1.00000
    105      -3.5282      1.00000
    106      -3.2736      1.00000
    107      -2.5294      0.00000
    108      -1.4578      0.00000
    109      -1.2645      0.00000
    110      -1.2018      0.00000
    111      -1.1708      0.00000
    112      -0.7192      0.00000
    113      -0.5022      0.00000
    114      -0.4109      0.00000
    115      -0.3374      0.00000
    116      -0.1450      0.00000
    117      -0.0016      0.00000
    118       0.1947      0.00000
    119       0.5628      0.00000
    120       0.6137      0.00000
    121       0.7920      0.00000
    122       0.9015      0.00000
    123       1.1264      0.00000
    124       1.4801      0.00000
    125       1.6227      0.00000
    126       1.8253      0.00000
    127       1.9101      0.00000
    128       2.0871      0.00000
    129       2.1020      0.00000
    130       2.1178      0.00000
    131       2.1754      0.00000
    132       2.2809      0.00000
    133       2.3167      0.00000
    134       2.4581      0.00000
    135       2.5707      0.00000
    136       2.6414      0.00000
    137       2.8396      0.00000
    138       2.8698      0.00000
    139       2.8866      0.00000
    140       2.9579      0.00000
    141       2.9821      0.00000
    142       3.1282      0.00000
    143       3.1490      0.00000
    144       3.1941      0.00000
    145       3.2580      0.00000
    146       3.2756      0.00000
    147       3.2976      0.00000
    148       3.3400      0.00000
    149       3.4014      0.00000
    150       3.4195      0.00000
    151       3.5227      0.00000
    152       3.5974      0.00000
    153       3.6741      0.00000
    154       3.6948      0.00000
    155       3.7566      0.00000
    156       3.8856      0.00000
    157       3.8995      0.00000
    158       3.9809      0.00000
    159       4.1063      0.00000
    160       4.1924      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3178      1.00000
      2     -21.9647      1.00000
      3     -21.8926      1.00000
      4     -21.3849      1.00000
      5     -21.3485      1.00000
      6     -20.8397      1.00000
      7     -20.7733      1.00000
      8     -20.6252      1.00000
      9     -20.0897      1.00000
     10     -20.0610      1.00000
     11     -19.7186      1.00000
     12     -19.6897      1.00000
     13     -19.0097      1.00000
     14     -18.9788      1.00000
     15     -18.6495      1.00000
     16     -18.6170      1.00000
     17     -18.4606      1.00000
     18     -17.6604      1.00000
     19     -17.6464      1.00000
     20     -17.6103      1.00000
     21     -17.5778      1.00000
     22     -17.1368      1.00000
     23     -17.0971      1.00000
     24     -16.9649      1.00000
     25     -16.0073      1.00000
     26     -15.9236      1.00000
     27     -15.5983      1.00000
     28     -15.5750      1.00000
     29     -15.2798      1.00000
     30     -14.8760      1.00000
     31     -14.8292      1.00000
     32     -14.5739      1.00000
     33     -14.5364      1.00000
     34     -14.1636      1.00000
     35     -14.1595      1.00000
     36     -13.1612      1.00000
     37     -13.0953      1.00000
     38     -13.0223      1.00000
     39     -13.0178      1.00000
     40     -12.7170      1.00000
     41     -12.6940      1.00000
     42     -12.3404      1.00000
     43     -12.3132      1.00000
     44     -11.6309      1.00000
     45     -11.6219      1.00000
     46     -11.5702      1.00000
     47     -10.9404      1.00000
     48     -10.9224      1.00000
     49     -10.6681      1.00000
     50     -10.5886      1.00000
     51     -10.5723      1.00000
     52     -10.5006      1.00000
     53     -10.4881      1.00000
     54     -10.4375      1.00000
     55     -10.3552      1.00000
     56     -10.1036      1.00000
     57      -9.8976      1.00000
     58      -9.6074      1.00000
     59      -9.5504      1.00000
     60      -9.4536      1.00000
     61      -9.4178      1.00000
     62      -9.4086      1.00000
     63      -9.3785      1.00000
     64      -9.3708      1.00000
     65      -9.2672      1.00000
     66      -9.1646      1.00000
     67      -9.1403      1.00000
     68      -9.1157      1.00000
     69      -8.8653      1.00000
     70      -8.8592      1.00000
     71      -8.8019      1.00000
     72      -8.5962      1.00000
     73      -8.5261      1.00000
     74      -8.1925      1.00000
     75      -8.1697      1.00000
     76      -8.0749      1.00000
     77      -7.8559      1.00000
     78      -7.8361      1.00000
     79      -7.8224      1.00000
     80      -7.7093      1.00000
     81      -7.6947      1.00000
     82      -7.5963      1.00000
     83      -7.5283      1.00000
     84      -7.3494      1.00000
     85      -7.1655      1.00000
     86      -6.9045      1.00000
     87      -6.8941      1.00000
     88      -6.5914      1.00000
     89      -6.5507      1.00000
     90      -6.4038      1.00000
     91      -6.3010      1.00000
     92      -6.2465      1.00000
     93      -6.2006      1.00000
     94      -6.0033      1.00000
     95      -5.5307      1.00000
     96      -5.4650      1.00000
     97      -5.3131      1.00000
     98      -5.2089      1.00000
     99      -5.0455      1.00000
    100      -4.7222      1.00000
    101      -4.6710      1.00000
    102      -4.4223      1.00000
    103      -4.1931      1.00000
    104      -3.8415      1.00000
    105      -3.6334      1.00000
    106      -3.4148      1.00000
    107      -2.2922      0.00000
    108      -1.5089      0.00000
    109      -1.2689      0.00000
    110      -1.2610      0.00000
    111      -1.0331      0.00000
    112      -0.9751      0.00000
    113      -0.8667      0.00000
    114      -0.7980      0.00000
    115      -0.2612      0.00000
    116       0.2053      0.00000
    117       0.2410      0.00000
    118       0.3607      0.00000
    119       0.6859      0.00000
    120       0.8954      0.00000
    121       0.9240      0.00000
    122       1.0368      0.00000
    123       1.1618      0.00000
    124       1.5031      0.00000
    125       1.5401      0.00000
    126       1.6973      0.00000
    127       1.7774      0.00000
    128       1.8245      0.00000
    129       1.9458      0.00000
    130       1.9637      0.00000
    131       2.1685      0.00000
    132       2.2397      0.00000
    133       2.3985      0.00000
    134       2.4318      0.00000
    135       2.5083      0.00000
    136       2.5990      0.00000
    137       2.6193      0.00000
    138       2.6899      0.00000
    139       2.7174      0.00000
    140       2.8366      0.00000
    141       3.0224      0.00000
    142       3.0488      0.00000
    143       3.1615      0.00000
    144       3.2108      0.00000
    145       3.2233      0.00000
    146       3.2607      0.00000
    147       3.3074      0.00000
    148       3.4243      0.00000
    149       3.5001      0.00000
    150       3.6816      0.00000
    151       3.7156      0.00000
    152       3.7175      0.00000
    153       3.8124      0.00000
    154       3.8595      0.00000
    155       3.9009      0.00000
    156       3.9551      0.00000
    157       3.9929      0.00000
    158       4.0089      0.00000
    159       4.0172      0.00000
    160       4.0676      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3899      1.00000
      2     -21.8311      1.00000
      3     -21.6417      1.00000
      4     -21.6068      1.00000
      5     -21.2790      1.00000
      6     -21.2321      1.00000
      7     -21.0567      1.00000
      8     -20.1715      1.00000
      9     -20.1255      1.00000
     10     -19.6175      1.00000
     11     -19.5901      1.00000
     12     -19.4157      1.00000
     13     -19.0948      1.00000
     14     -19.0561      1.00000
     15     -19.0516      1.00000
     16     -19.0381      1.00000
     17     -18.3671      1.00000
     18     -18.3463      1.00000
     19     -18.0166      1.00000
     20     -17.0720      1.00000
     21     -17.0235      1.00000
     22     -16.9492      1.00000
     23     -16.9349      1.00000
     24     -16.4734      1.00000
     25     -16.4625      1.00000
     26     -15.6096      1.00000
     27     -15.6091      1.00000
     28     -15.2506      1.00000
     29     -15.2372      1.00000
     30     -15.1904      1.00000
     31     -15.1007      1.00000
     32     -15.0667      1.00000
     33     -14.6985      1.00000
     34     -14.6966      1.00000
     35     -13.7251      1.00000
     36     -13.7240      1.00000
     37     -13.2340      1.00000
     38     -12.6232      1.00000
     39     -12.5781      1.00000
     40     -12.4542      1.00000
     41     -12.4483      1.00000
     42     -12.1057      1.00000
     43     -12.0994      1.00000
     44     -11.7215      1.00000
     45     -11.6831      1.00000
     46     -11.2445      1.00000
     47     -11.2228      1.00000
     48     -11.0169      1.00000
     49     -11.0047      1.00000
     50     -10.9276      1.00000
     51     -10.8992      1.00000
     52     -10.6368      1.00000
     53     -10.1707      1.00000
     54     -10.1481      1.00000
     55     -10.0826      1.00000
     56      -9.9916      1.00000
     57      -9.6956      1.00000
     58      -9.6896      1.00000
     59      -9.6701      1.00000
     60      -9.5902      1.00000
     61      -9.5671      1.00000
     62      -9.5533      1.00000
     63      -9.3118      1.00000
     64      -9.2989      1.00000
     65      -9.2826      1.00000
     66      -9.2427      1.00000
     67      -9.1218      1.00000
     68      -9.1110      1.00000
     69      -9.1099      1.00000
     70      -8.9393      1.00000
     71      -8.8752      1.00000
     72      -8.6039      1.00000
     73      -8.5865      1.00000
     74      -8.2698      1.00000
     75      -8.0988      1.00000
     76      -7.8675      1.00000
     77      -7.8432      1.00000
     78      -7.7893      1.00000
     79      -7.7636      1.00000
     80      -7.7538      1.00000
     81      -7.4452      1.00000
     82      -7.3333      1.00000
     83      -7.3203      1.00000
     84      -7.2648      1.00000
     85      -7.1617      1.00000
     86      -7.0151      1.00000
     87      -6.9852      1.00000
     88      -6.7164      1.00000
     89      -6.6898      1.00000
     90      -6.6312      1.00000
     91      -6.5894      1.00000
     92      -6.1146      1.00000
     93      -6.0584      1.00000
     94      -6.0436      1.00000
     95      -6.0284      1.00000
     96      -5.7477      1.00000
     97      -4.9732      1.00000
     98      -4.8384      1.00000
     99      -4.7082      1.00000
    100      -4.6734      1.00000
    101      -4.4822      1.00000
    102      -4.3509      1.00000
    103      -4.1098      1.00000
    104      -4.0542      1.00000
    105      -3.7536      1.00000
    106      -3.4642      1.00000
    107      -1.9515      0.00000
    108      -1.7700      0.00000
    109      -1.4788      0.00000
    110      -1.3542      0.00000
    111      -1.3341      0.00000
    112      -1.2899      0.00000
    113      -0.6763      0.00000
    114      -0.4708      0.00000
    115      -0.2351      0.00000
    116       0.0525      0.00000
    117       0.5816      0.00000
    118       0.6927      0.00000
    119       0.7712      0.00000
    120       1.0238      0.00000
    121       1.0991      0.00000
    122       1.1742      0.00000
    123       1.2491      0.00000
    124       1.3290      0.00000
    125       1.4232      0.00000
    126       1.5777      0.00000
    127       1.7407      0.00000
    128       1.8393      0.00000
    129       1.8588      0.00000
    130       1.8845      0.00000
    131       2.0358      0.00000
    132       2.2061      0.00000
    133       2.2163      0.00000
    134       2.2630      0.00000
    135       2.4624      0.00000
    136       2.5796      0.00000
    137       2.6199      0.00000
    138       2.7290      0.00000
    139       2.7479      0.00000
    140       2.8356      0.00000
    141       2.8389      0.00000
    142       2.8415      0.00000
    143       2.9211      0.00000
    144       3.0567      0.00000
    145       3.2759      0.00000
    146       3.3345      0.00000
    147       3.3698      0.00000
    148       3.3899      0.00000
    149       3.3961      0.00000
    150       3.5456      0.00000
    151       3.6137      0.00000
    152       3.6353      0.00000
    153       3.7063      0.00000
    154       3.8754      0.00000
    155       3.8902      0.00000
    156       3.9270      0.00000
    157       4.0819      0.00000
    158       4.1727      0.00000
    159       4.2012      0.00000
    160       4.2576      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2100      1.00000
      2     -22.1193      1.00000
      3     -21.9569      1.00000
      4     -21.4048      1.00000
      5     -21.0462      1.00000
      6     -21.0180      1.00000
      7     -20.4959      1.00000
      8     -20.4664      1.00000
      9     -20.2863      1.00000
     10     -20.2844      1.00000
     11     -19.9566      1.00000
     12     -19.8935      1.00000
     13     -18.8831      1.00000
     14     -18.8156      1.00000
     15     -18.3379      1.00000
     16     -18.3181      1.00000
     17     -18.1489      1.00000
     18     -18.1412      1.00000
     19     -17.8158      1.00000
     20     -17.7972      1.00000
     21     -17.2572      1.00000
     22     -17.2379      1.00000
     23     -17.1604      1.00000
     24     -17.1349      1.00000
     25     -16.1152      1.00000
     26     -15.8808      1.00000
     27     -15.8697      1.00000
     28     -15.8390      1.00000
     29     -15.2310      1.00000
     30     -14.5504      1.00000
     31     -14.5323      1.00000
     32     -14.2756      1.00000
     33     -13.9739      1.00000
     34     -13.9501      1.00000
     35     -13.8229      1.00000
     36     -13.8013      1.00000
     37     -13.6039      1.00000
     38     -13.5783      1.00000
     39     -13.3699      1.00000
     40     -12.6376      1.00000
     41     -12.1686      1.00000
     42     -12.1420      1.00000
     43     -12.0682      1.00000
     44     -12.0213      1.00000
     45     -11.6632      1.00000
     46     -11.6588      1.00000
     47     -11.1358      1.00000
     48     -11.1250      1.00000
     49     -10.7904      1.00000
     50     -10.7340      1.00000
     51     -10.5352      1.00000
     52     -10.2072      1.00000
     53     -10.2014      1.00000
     54     -10.1703      1.00000
     55     -10.0217      1.00000
     56      -9.9938      1.00000
     57      -9.9889      1.00000
     58      -9.8041      1.00000
     59      -9.7949      1.00000
     60      -9.7627      1.00000
     61      -9.7555      1.00000
     62      -9.4541      1.00000
     63      -9.4169      1.00000
     64      -9.0834      1.00000
     65      -9.0445      1.00000
     66      -9.0247      1.00000
     67      -8.9701      1.00000
     68      -8.8976      1.00000
     69      -8.7068      1.00000
     70      -8.6981      1.00000
     71      -8.5597      1.00000
     72      -8.5493      1.00000
     73      -8.4771      1.00000
     74      -8.4589      1.00000
     75      -8.4561      1.00000
     76      -8.3080      1.00000
     77      -8.0945      1.00000
     78      -8.0889      1.00000
     79      -7.9241      1.00000
     80      -7.8306      1.00000
     81      -7.6001      1.00000
     82      -7.5373      1.00000
     83      -7.4418      1.00000
     84      -7.3110      1.00000
     85      -6.9910      1.00000
     86      -6.9168      1.00000
     87      -6.8792      1.00000
     88      -6.5281      1.00000
     89      -6.5140      1.00000
     90      -6.4805      1.00000
     91      -6.4195      1.00000
     92      -5.9260      1.00000
     93      -5.9050      1.00000
     94      -5.7883      1.00000
     95      -5.7736      1.00000
     96      -5.3689      1.00000
     97      -5.3616      1.00000
     98      -5.2204      1.00000
     99      -5.2145      1.00000
    100      -5.1972      1.00000
    101      -4.7189      1.00000
    102      -4.4407      1.00000
    103      -4.1892      1.00000
    104      -3.8191      1.00000
    105      -3.5645      1.00000
    106      -3.2193      1.00000
    107      -2.5626      0.00000
    108      -1.4629      0.00000
    109      -1.2644      0.00000
    110      -1.1847      0.00000
    111      -1.1829      0.00000
    112      -0.6437      0.00000
    113      -0.5496      0.00000
    114      -0.4138      0.00000
    115      -0.3458      0.00000
    116      -0.0758      0.00000
    117      -0.0610      0.00000
    118       0.1271      0.00000
    119       0.5938      0.00000
    120       0.6265      0.00000
    121       0.8500      0.00000
    122       0.9791      0.00000
    123       0.9995      0.00000
    124       1.4885      0.00000
    125       1.6706      0.00000
    126       1.7372      0.00000
    127       1.8370      0.00000
    128       2.0878      0.00000
    129       2.1115      0.00000
    130       2.1746      0.00000
    131       2.2106      0.00000
    132       2.2513      0.00000
    133       2.3327      0.00000
    134       2.4877      0.00000
    135       2.4981      0.00000
    136       2.6443      0.00000
    137       2.8538      0.00000
    138       2.8573      0.00000
    139       2.9389      0.00000
    140       2.9433      0.00000
    141       2.9939      0.00000
    142       3.1263      0.00000
    143       3.1626      0.00000
    144       3.2012      0.00000
    145       3.2363      0.00000
    146       3.2731      0.00000
    147       3.2981      0.00000
    148       3.3471      0.00000
    149       3.3881      0.00000
    150       3.5232      0.00000
    151       3.5493      0.00000
    152       3.6312      0.00000
    153       3.6350      0.00000
    154       3.6722      0.00000
    155       3.6917      0.00000
    156       3.8903      0.00000
    157       3.9168      0.00000
    158       4.0079      0.00000
    159       4.0531      0.00000
    160       4.1559      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2836      1.00000
      2     -22.0789      1.00000
      3     -21.7205      1.00000
      4     -21.6814      1.00000
      5     -20.9829      1.00000
      6     -20.9353      1.00000
      7     -20.6113      1.00000
      8     -20.5795      1.00000
      9     -20.5658      1.00000
     10     -20.0323      1.00000
     11     -19.5138      1.00000
     12     -19.4827      1.00000
     13     -19.3118      1.00000
     14     -19.2977      1.00000
     15     -18.4494      1.00000
     16     -18.4064      1.00000
     17     -17.9276      1.00000
     18     -17.9064      1.00000
     19     -17.7657      1.00000
     20     -17.7208      1.00000
     21     -17.4415      1.00000
     22     -17.4222      1.00000
     23     -17.3382      1.00000
     24     -16.4695      1.00000
     25     -16.4604      1.00000
     26     -15.9692      1.00000
     27     -15.4111      1.00000
     28     -15.4096      1.00000
     29     -15.0955      1.00000
     30     -15.0930      1.00000
     31     -14.8538      1.00000
     32     -14.8401      1.00000
     33     -14.2969      1.00000
     34     -14.2524      1.00000
     35     -13.4432      1.00000
     36     -13.3986      1.00000
     37     -13.1753      1.00000
     38     -13.1728      1.00000
     39     -12.9850      1.00000
     40     -12.9756      1.00000
     41     -12.6110      1.00000
     42     -12.6078      1.00000
     43     -12.1953      1.00000
     44     -11.5795      1.00000
     45     -11.5385      1.00000
     46     -11.3133      1.00000
     47     -11.2832      1.00000
     48     -11.1404      1.00000
     49     -10.6919      1.00000
     50     -10.6614      1.00000
     51     -10.5466      1.00000
     52     -10.3214      1.00000
     53     -10.3133      1.00000
     54     -10.1754      1.00000
     55     -10.1198      1.00000
     56     -10.1075      1.00000
     57      -9.8107      1.00000
     58      -9.7513      1.00000
     59      -9.7507      1.00000
     60      -9.7005      1.00000
     61      -9.6975      1.00000
     62      -9.6464      1.00000
     63      -9.3510      1.00000
     64      -9.3500      1.00000
     65      -9.3177      1.00000
     66      -9.0272      1.00000
     67      -8.9604      1.00000
     68      -8.9572      1.00000
     69      -8.7750      1.00000
     70      -8.5917      1.00000
     71      -8.5875      1.00000
     72      -8.4234      1.00000
     73      -8.3492      1.00000
     74      -8.3218      1.00000
     75      -8.3020      1.00000
     76      -8.2648      1.00000
     77      -8.2544      1.00000
     78      -8.2387      1.00000
     79      -7.9205      1.00000
     80      -7.7324      1.00000
     81      -7.3775      1.00000
     82      -7.3466      1.00000
     83      -7.3206      1.00000
     84      -7.2145      1.00000
     85      -7.1589      1.00000
     86      -7.0643      1.00000
     87      -6.9593      1.00000
     88      -6.9043      1.00000
     89      -6.6139      1.00000
     90      -6.5536      1.00000
     91      -6.2716      1.00000
     92      -5.9956      1.00000
     93      -5.9592      1.00000
     94      -5.6741      1.00000
     95      -5.6473      1.00000
     96      -5.3864      1.00000
     97      -5.3151      1.00000
     98      -5.2932      1.00000
     99      -5.2110      1.00000
    100      -5.1992      1.00000
    101      -4.5099      1.00000
    102      -4.3375      1.00000
    103      -3.9944      1.00000
    104      -3.8846      1.00000
    105      -3.7915      1.00000
    106      -3.4419      1.00000
    107      -2.0355      0.00000
    108      -1.8621      0.00000
    109      -1.2167      0.00000
    110      -1.1812      0.00000
    111      -1.0351      0.00000
    112      -0.7713      0.00000
    113      -0.6756      0.00000
    114      -0.6589      0.00000
    115      -0.6074      0.00000
    116      -0.1010      0.00000
    117       0.2250      0.00000
    118       0.2412      0.00000
    119       0.7634      0.00000
    120       0.9788      0.00000
    121       1.0734      0.00000
    122       1.2408      0.00000
    123       1.2503      0.00000
    124       1.3354      0.00000
    125       1.5719      0.00000
    126       1.5848      0.00000
    127       1.6827      0.00000
    128       1.7762      0.00000
    129       1.9340      0.00000
    130       1.9352      0.00000
    131       2.0597      0.00000
    132       2.2740      0.00000
    133       2.3370      0.00000
    134       2.4043      0.00000
    135       2.5185      0.00000
    136       2.6132      0.00000
    137       2.7351      0.00000
    138       2.7910      0.00000
    139       2.8326      0.00000
    140       2.8379      0.00000
    141       3.0037      0.00000
    142       3.0879      0.00000
    143       3.1339      0.00000
    144       3.1914      0.00000
    145       3.3550      0.00000
    146       3.4008      0.00000
    147       3.4709      0.00000
    148       3.5008      0.00000
    149       3.5822      0.00000
    150       3.5866      0.00000
    151       3.6174      0.00000
    152       3.7240      0.00000
    153       3.7247      0.00000
    154       3.7466      0.00000
    155       3.7835      0.00000
    156       3.8512      0.00000
    157       3.9933      0.00000
    158       4.0685      0.00000
    159       4.1449      0.00000
    160       4.1810      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0415   -7.3899    4.1984   -1.2753   -0.2385   17.5898    0.1479   -0.5326    0.6340   -0.4649
x    -3.0928   -0.0374   -0.0631    0.0617   -0.0091   -2.9770   -0.0110   -0.0070    0.0049    0.0016
x    -0.0964    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0415    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0942   -0.0089    0.0374    0.0376
y    -0.0456   -3.2480   -0.5375   -0.1640   -1.1786   -0.6052
z   204.0415    1.1238   -0.2804    0.0406    0.0090    0.0617    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0778    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1688
z    -0.2834    0.1872   -0.0387    0.0471   -0.1053    0.0013
 total charge-density along one line
x   212.0000  -10.2203    6.1466   -2.0853   -0.4742   19.5057   -0.9951    0.4738   -0.0444   -0.1263
x    -2.6457   -0.0277   -0.0609    0.0845   -0.0532   -2.2246   -0.0249   -0.0027    0.0052    0.0021
x    -0.0895    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2203    6.1466   -2.0853   -0.4742   19.5057   -0.9951    0.4738   -0.0444   -0.1263
y    -2.6457   -0.0277   -0.0609    0.0845   -0.0532   -2.2246   -0.0249   -0.0027    0.0052    0.0021
y    -0.0895    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4943  189.2982 -170.3771  153.6580 -139.4406  125.4337 -110.1198   93.9751  -78.3641
z    64.1570  -51.5050   40.4385  -31.2310   24.1330  -18.9496   15.0363  -11.7238    8.7197   -6.1251
z     4.1347   -2.7625    1.8247   -1.1136    0.5418   -0.1286   -0.1098    0.2265   -0.3082    0.3992
z    -0.4761    0.4929   -0.4397    0.3547   -0.2859    0.2510   -0.2333    0.2086   -0.1709    0.1317
z    -0.1037    0.0880   -0.0768    0.0636   -0.0490    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0074    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.840   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.840   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.024   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.269   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.052   0.000   0.302   0.000   0.028  -0.191  -0.030   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.052   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.269   0.000  -0.311   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.585  -0.238   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.024   0.000   0.028   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.368  -0.419   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.419   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.263   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.261   8.029   8.934
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.647
  9        0.864   1.784   0.000   2.647
 10        0.864   1.785   0.000   2.649
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.775   0.000   2.639
 17        0.860   1.780   0.000   2.640
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.647
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.646
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.783   0.000   2.647
 28        0.864   1.785   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.785   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.647
 35        0.864   1.782   0.000   2.646
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.646
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.775   0.000   2.639
 43        0.864   1.784   0.000   2.648
 44        0.864   1.784   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.649
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.647
 51        0.864   1.784   0.000   2.648
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.870  89.437   8.029 142.336
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  114.06: CPU time   57.55
    FORLOC:  VPU time    1.26: CPU time    1.25
    FORNL :  VPU time  437.35: CPU time  219.07
    STRESS:  VPU time 1308.66: CPU time  660.13
    FORCOR:  VPU time    8.68: CPU time    8.67
    FORHAR:  VPU time    2.29: CPU time    2.29
    MIXING:  VPU time    0.20: CPU time    0.20
 d Force = 0.2632123E-03[ 0.114E-03, 0.412E-03]  d Energy = 0.7979163E-03-0.535E-03
 d Force =-0.1387614E+01[-0.139E+01,-0.139E+01]  d Ewald  = 0.4043732E+02-0.418E+02


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726309 eV

  energy  without entropy=     -471.726309  energy(sigma->0) =     -471.726309
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40853.83  40809.16 -47553.25    -38.69      0.00      0.00
  Hartree  40278.01  40259.03 -39536.87    -16.44      0.00      0.00
  E(xc)     -779.47   -779.76   -807.40     -0.25      0.00      0.00
  Local   -83415.88 -83361.08  84404.80     47.45      0.00      0.00
  n-local   -216.86   -215.74   -203.40      0.70      0.00      0.00
  augment     20.05     22.04     17.81      1.72      0.00      0.00
  Kinetic   3162.70   3176.29   3584.09      3.42      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.06      0.15     -0.29      0.08      0.00      0.00
  in kB        0.03      0.09     -0.18      0.05      0.00      0.00
  external pressure =       -0.02 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.344922682  0.000651793  0.000000000     0.081002494  0.046761177  0.000000000
    -6.171903514 10.691338626  0.000000000    -0.000004938  0.093530806  0.000000000
     0.000000000  0.000000000 19.987168379     0.000000000  0.000000000  0.050032100

  length of vectors
    12.344922700 12.344922624 19.987168379     0.093530806  0.093530806  0.050032100


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.484E-05 -.489E-04 -.952E+03   0.449E-05 -.278E-04 0.960E+03   -.169E-20 0.181E-23 -.868E+01   -.277E-07 0.180E-07 0.852E-03
   0.322E+02 -.186E+02 -.135E+03   -.337E+02 0.195E+02 0.137E+03   0.154E+01 -.890E+00 -.253E+01   0.660E-03 -.382E-03 -.789E-03
   -.322E+02 0.186E+02 -.135E+03   0.337E+02 -.195E+02 0.137E+03   -.154E+01 0.890E+00 -.253E+01   -.660E-03 0.382E-03 -.789E-03
   -.214E+01 0.123E+01 0.163E+02   0.214E+01 -.124E+01 -.163E+02   -.348E-02 0.201E-02 -.243E-01   0.101E-02 -.585E-03 0.472E-03
   0.620E+01 0.675E+01 0.194E+02   -.620E+01 -.676E+01 -.194E+02   -.270E-03 0.270E-01 -.270E-01   -.297E-03 0.130E-02 0.655E-03
   0.112E+02 0.515E+01 0.162E+02   -.112E+02 -.516E+01 -.161E+02   0.228E-01 0.450E-02 -.478E-01   -.747E-04 -.808E-03 0.916E-03
   0.470E+01 -.877E+00 0.126E+02   -.472E+01 0.883E+00 -.126E+02   0.164E-01 -.959E-02 -.177E-01   0.254E-03 0.269E-03 0.106E-02
   -.311E+01 -.250E+01 0.126E+02   0.312E+01 0.249E+01 -.126E+02   0.450E-02 -.718E-03 -.132E-01   0.491E-03 -.306E-03 0.654E-03
   0.605E+00 0.394E+01 0.126E+02   -.596E+00 -.394E+01 -.126E+02   0.287E-02 -.354E-02 -.132E-01   0.505E-03 -.278E-03 0.651E-03
   0.246E+01 0.190E+02 0.240E+02   -.246E+01 -.191E+02 -.240E+02   -.123E-02 0.981E-01 -.489E-01   -.809E-03 -.701E-03 0.110E-02
   0.225E+02 0.214E+02 0.423E+02   -.226E+02 -.217E+02 -.422E+02   0.884E-01 0.259E+00 -.607E-01   0.199E-02 -.654E-03 0.211E-02
   0.268E+02 -.345E+01 0.256E+02   -.271E+02 0.356E+01 -.256E+02   0.264E+00 -.110E+00 -.336E-01   0.221E-05 0.601E-03 0.158E-02
   0.916E+01 -.529E+01 0.136E+02   -.920E+01 0.531E+01 -.136E+02   0.429E-01 -.248E-01 -.118E-01   -.253E-03 0.139E-03 0.608E-03
   0.311E+01 -.363E+01 0.126E+02   -.312E+01 0.364E+01 -.126E+02   0.165E-01 -.944E-02 -.177E-01   -.108E-03 -.359E-03 0.105E-02
   -.597E+01 0.136E+02 0.161E+02   0.598E+01 -.137E+02 -.161E+02   0.832E-03 0.731E-01 -.521E-01   0.817E-03 0.344E-03 0.111E-02
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.270E-01 0.612E+00 0.293E+00   -.309E-03 0.223E-02 0.287E-02
   0.236E+02 -.136E+02 0.941E+02   -.243E+02 0.140E+02 -.961E+02   0.639E+00 -.369E+00 0.205E+01   0.194E-02 -.112E-02 0.420E-02
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.227E+00 -.174E+00 -.336E-01   -.521E-03 -.310E-03 0.157E-02
   0.113E+01 -.123E+02 0.162E+02   -.113E+01 0.123E+02 -.161E+02   0.749E-02 -.220E-01 -.478E-01   0.665E-03 0.467E-03 0.911E-03
   -.419E+01 0.194E+01 0.116E+02   0.419E+01 -.195E+01 -.116E+02   0.216E-02 0.817E-02 -.440E-01   0.358E-03 -.458E-03 0.748E-03
   -.193E+02 0.111E+02 0.218E+02   0.193E+02 -.111E+02 -.217E+02   -.555E-01 0.321E-01 -.433E-01   -.636E-03 0.371E-03 0.103E-02
   -.373E+02 -.784E+01 0.478E+02   0.378E+02 0.811E+01 -.481E+02   -.544E+00 -.283E+00 0.293E+00   -.209E-02 -.850E-03 0.288E-02
   -.730E+01 -.302E+02 0.423E+02   0.750E+01 0.304E+02 -.422E+02   -.180E+00 -.206E+00 -.607E-01   0.156E-02 -.140E-02 0.210E-02
   -.274E+01 -.874E+01 0.194E+02   0.275E+01 0.875E+01 -.194E+02   -.235E-01 -.133E-01 -.270E-01   -.127E-02 -.395E-03 0.654E-03
   0.134E+01 -.771E+00 0.135E+02   -.133E+01 0.768E+00 -.134E+02   0.763E-02 -.440E-02 -.178E-01   0.583E-03 -.334E-03 0.487E-03
   -.378E+01 0.266E+01 0.116E+02   0.379E+01 -.265E+01 -.116E+02   -.600E-02 -.595E-02 -.440E-01   0.578E-03 -.761E-04 0.753E-03
   -.148E+02 -.163E+01 0.161E+02   0.148E+02 0.166E+01 -.161E+02   -.629E-01 -.373E-01 -.521E-01   0.112E-03 -.881E-03 0.112E-02
   -.152E+02 -.116E+02 0.240E+02   0.153E+02 0.117E+02 -.240E+02   -.856E-01 -.480E-01 -.489E-01   0.204E-03 0.105E-02 0.111E-02
   0.274E+01 0.874E+01 0.194E+02   -.275E+01 -.875E+01 -.194E+02   0.235E-01 0.133E-01 -.270E-01   0.127E-02 0.395E-03 0.654E-03
   0.152E+02 0.116E+02 0.240E+02   -.153E+02 -.117E+02 -.240E+02   0.856E-01 0.480E-01 -.489E-01   -.204E-03 -.105E-02 0.111E-02
   0.148E+02 0.163E+01 0.161E+02   -.148E+02 -.166E+01 -.161E+02   0.629E-01 0.373E-01 -.521E-01   -.112E-03 0.881E-03 0.112E-02
   0.378E+01 -.266E+01 0.116E+02   -.379E+01 0.265E+01 -.116E+02   0.600E-02 0.595E-02 -.440E-01   -.578E-03 0.761E-04 0.753E-03
   -.134E+01 0.771E+00 0.135E+02   0.133E+01 -.768E+00 -.134E+02   -.763E-02 0.440E-02 -.178E-01   -.583E-03 0.334E-03 0.487E-03
   -.113E+01 0.123E+02 0.162E+02   0.113E+01 -.123E+02 -.161E+02   -.749E-02 0.220E-01 -.478E-01   -.665E-03 -.467E-03 0.911E-03
   0.730E+01 0.302E+02 0.423E+02   -.750E+01 -.304E+02 -.422E+02   0.180E+00 0.206E+00 -.607E-01   -.156E-02 0.140E-02 0.210E-02
   0.373E+02 0.783E+01 0.478E+02   -.378E+02 -.811E+01 -.481E+02   0.544E+00 0.283E+00 0.293E+00   0.209E-02 0.850E-03 0.288E-02
   0.193E+02 -.111E+02 0.218E+02   -.193E+02 0.111E+02 -.217E+02   0.555E-01 -.321E-01 -.433E-01   0.636E-03 -.371E-03 0.103E-02
   0.419E+01 -.194E+01 0.116E+02   -.419E+01 0.195E+01 -.116E+02   -.216E-02 -.817E-02 -.440E-01   -.358E-03 0.458E-03 0.748E-03
   -.311E+01 0.363E+01 0.126E+02   0.312E+01 -.364E+01 -.126E+02   -.165E-01 0.944E-02 -.177E-01   0.108E-03 0.359E-03 0.105E-02
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.227E+00 0.174E+00 -.336E-01   0.521E-03 0.310E-03 0.157E-02
   -.236E+02 0.136E+02 0.941E+02   0.243E+02 -.140E+02 -.961E+02   -.639E+00 0.369E+00 0.205E+01   -.194E-02 0.112E-02 0.420E-02
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.270E-01 -.612E+00 0.293E+00   0.309E-03 -.223E-02 0.287E-02
   0.597E+01 -.136E+02 0.161E+02   -.598E+01 0.137E+02 -.161E+02   -.832E-03 -.731E-01 -.521E-01   -.817E-03 -.344E-03 0.111E-02
   -.605E+00 -.394E+01 0.126E+02   0.596E+00 0.394E+01 -.126E+02   -.287E-02 0.354E-02 -.132E-01   -.505E-03 0.278E-03 0.651E-03
   -.916E+01 0.529E+01 0.136E+02   0.920E+01 -.531E+01 -.136E+02   -.429E-01 0.248E-01 -.118E-01   0.253E-03 -.139E-03 0.608E-03
   -.268E+02 0.345E+01 0.256E+02   0.271E+02 -.356E+01 -.256E+02   -.264E+00 0.110E+00 -.336E-01   -.219E-05 -.601E-03 0.158E-02
   -.225E+02 -.214E+02 0.423E+02   0.226E+02 0.217E+02 -.422E+02   -.884E-01 -.259E+00 -.607E-01   -.199E-02 0.654E-03 0.211E-02
   -.246E+01 -.190E+02 0.240E+02   0.246E+01 0.191E+02 -.240E+02   0.123E-02 -.981E-01 -.489E-01   0.809E-03 0.701E-03 0.110E-02
   0.214E+01 -.123E+01 0.163E+02   -.214E+01 0.124E+01 -.163E+02   0.348E-02 -.201E-02 -.243E-01   -.101E-02 0.585E-03 0.472E-03
   0.311E+01 0.250E+01 0.126E+02   -.312E+01 -.249E+01 -.126E+02   -.450E-02 0.718E-03 -.132E-01   -.491E-03 0.306E-03 0.654E-03
   -.470E+01 0.877E+00 0.126E+02   0.472E+01 -.883E+00 -.126E+02   -.164E-01 0.959E-02 -.177E-01   -.254E-03 -.269E-03 0.106E-02
   -.112E+02 -.515E+01 0.162E+02   0.112E+02 0.516E+01 -.161E+02   -.228E-01 -.450E-02 -.478E-01   0.747E-04 0.808E-03 0.916E-03
   -.620E+01 -.675E+01 0.194E+02   0.620E+01 0.676E+01 -.194E+02   0.270E-03 -.270E-01 -.270E-01   0.297E-03 -.130E-02 0.655E-03
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.294E-03 0.997E+01   -.329E-12 -.323E-12 -.909E-12   0.364E-15 -.111E-15 -.100E+02   -.362E-08 0.975E-08 0.641E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85205      6.05871     12.26458         0.000000      0.000000      0.032393
      1.07486      6.50742     13.52459         0.005682     -0.003281      0.002152
      2.62925      5.61000     13.52459        -0.005682      0.003281      0.002152
      0.00008     -0.00004      9.91120         0.004875     -0.002814      0.000248
     -1.23466      2.13659      9.90986        -0.005550      0.015621      0.000374
     -2.47000      4.27637      9.92985         0.006268     -0.007878     -0.000239
     -3.70363      6.41493      9.93758         0.002457     -0.003083     -0.000970
     -4.93742      8.55316      9.92813         0.009905     -0.008609     -0.000435
      2.46896      0.00000      9.92813         0.012408     -0.004273     -0.000435
      1.23392      2.13679      9.91942        -0.002718     -0.017130     -0.001381
     -0.00304      4.27074      9.93196         0.029188     -0.009617     -0.002474
     -1.23821      6.41548      9.95402        -0.009081      0.000489     -0.000955
     -2.46885      8.55338      9.93941        -0.002331      0.001346      0.000947
      4.93762      0.00062      9.93758         0.003899     -0.000586     -0.000970
      3.70393      2.13655      9.94087         0.006718      0.007152     -0.001172
      2.46971      4.26828      9.96853         0.004967      0.002637     -0.002937
      1.22898      6.41844      9.97469         0.003877     -0.002238      0.001304
     -0.00206      8.55657      9.95402        -0.004964      0.007620     -0.000955
      7.40648      0.00155      9.92985         0.009956     -0.001490     -0.000239
      6.17221      2.13878      9.93618         0.007519     -0.004509     -0.000584
      4.93890      4.27652      9.94889        -0.008683      0.005013      0.000233
      3.71144      6.41901      9.96853         0.000200     -0.005620     -0.002937
      2.47293      8.55925      9.93196         0.022923     -0.020469     -0.002474
      9.87725      0.00160      9.90986        -0.016303     -0.003004      0.000374
      8.64127      2.13896      9.92105         0.013515     -0.007803      0.000466
      7.40689      4.27731      9.93618         0.007665     -0.004257     -0.000584
      6.17468      6.41602      9.94087        -0.002835     -0.009394     -0.001172
      4.93947      8.55499      9.91942         0.013476      0.010919     -0.001381
     -0.00124      1.42448      9.90986         0.016303      0.003004      0.000374
     -1.23536      3.56243      9.91942        -0.013476     -0.010919     -0.001381
     -2.47057      5.70139      9.94087         0.002835      0.009394     -0.001172
     -3.70278      7.84010      9.93618        -0.007665      0.004257     -0.000584
     -4.93716      9.97846      9.92105        -0.013515      0.007803      0.000466
      2.46954      1.42453      9.92985        -0.009956      0.001490     -0.000239
      1.23118      3.55816      9.93196        -0.022923      0.020469     -0.002474
     -0.00733      5.69840      9.96853        -0.000200      0.005620     -0.002937
     -1.23479      7.84090      9.94889         0.008683     -0.005013      0.000233
     -2.46810      9.97864      9.93618        -0.007519      0.004509     -0.000584
      4.93840      1.42546      9.93758        -0.003899      0.000586     -0.000970
      3.70617      3.56085      9.95402         0.004964     -0.007620     -0.000955
      2.47513      5.69898      9.97469        -0.003877      0.002238      0.001304
      1.23440      7.84914      9.96853        -0.004967     -0.002637     -0.002937
      0.00018      9.98087      9.94087        -0.006718     -0.007152     -0.001172
      7.40706      1.42608      9.92813        -0.012408      0.004273     -0.000435
      6.17296      3.56403      9.93941         0.002331     -0.001346      0.000947
      4.94232      5.70193      9.95402         0.009081     -0.000489     -0.000955
      3.70715      7.84667      9.93196        -0.029188      0.009617     -0.002474
      2.47019      9.98063      9.91942         0.002718      0.017130     -0.001381
      9.87594      1.42612      9.91120        -0.004875      0.002814      0.000248
      8.64153      3.56425      9.92813        -0.009905      0.008609     -0.000435
      7.40774      5.70249      9.93758        -0.002457      0.003083     -0.000970
      6.17411      7.84105      9.92985        -0.006268      0.007878     -0.000239
      4.93877      9.98082      9.90986         0.005550     -0.015621      0.000374
 -----------------------------------------------------------------------------------
    total drift:                               -0.001808      0.000294      0.008463


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.94: CPU time    1.94
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.35
    ORTHCH:  VPU time  182.21: CPU time   91.18
     LOOP+:  VPU time 9430.30: CPU time 4857.40


----------------------------------------- Iteration   16(   1)  ---------------------------------------


    POTLOK:  VPU time    9.06: CPU time    9.07
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1725.09: CPU time  885.90
 BZINTS: Fermi energy: -3.186037;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.42: CPU time   45.59
    MIXING:  VPU time    0.13: CPU time    0.13
    ------------------------------------------
      LOOP:  VPU time 1825.09: CPU time  941.05

 eigenvalue-minimisations  :  6080
 total energy-change (2. order) :-0.4717264E+03  (-0.1269189E-03)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9581351 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.17307E-02    rms(broyden)= 0.17305E-02
  rms(prec ) = 0.20005E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34102.90528556
  -1/2 Hartree   DENC   =    -40994.26861616
  -V(xc)+E(xc)   XCENC  =       726.61609638
  PAW double counting   =      4094.31527917    -4132.66180432
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.07247792
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72638370 eV

  energy without entropy =     -471.72638370  energy(sigma->0) =     -471.72638370


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   16(   2)  ---------------------------------------


    POTLOK:  VPU time    7.76: CPU time    7.76
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1126.83: CPU time  575.69
 BZINTS: Fermi energy: -3.184595;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1134.94: CPU time  583.77

 eigenvalue-minimisations  :  4152
 total energy-change (2. order) : 0.1368501E-04  (-0.4044603E-05)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9581351 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34102.90528556
  -1/2 Hartree   DENC   =    -40994.03253493
  -V(xc)+E(xc)   XCENC  =       726.60874212
  PAW double counting   =      4094.14856308    -4132.49479232
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.30148712
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72637001 eV

  energy without entropy =     -471.72637001  energy(sigma->0) =     -471.72637001


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2171       2 -39.5346       3 -39.5346       4 -58.3107       5 -58.3146
       6 -58.3169       7 -58.3116       8 -58.3121       9 -58.3121      10 -58.3185
      11 -58.3847      12 -58.3486      13 -58.3198      14 -58.3116      15 -58.3214
      16 -58.5396      17 -58.7272      18 -58.3486      19 -58.3169      20 -58.3169
      21 -58.3547      22 -58.5397      23 -58.3848      24 -58.3146      25 -58.3199
      26 -58.3170      27 -58.3214      28 -58.3185      29 -58.3145      30 -58.3184
      31 -58.3213      32 -58.3169      33 -58.3198      34 -58.3168      35 -58.3847
      36 -58.5396      37 -58.3546      38 -58.3169      39 -58.3115      40 -58.3485
      41 -58.7271      42 -58.5396      43 -58.3213      44 -58.3120      45 -58.3197
      46 -58.3485      47 -58.3847      48 -58.3184      49 -58.3106      50 -58.3120
      51 -58.3115      52 -58.3169      53 -58.3145
 
 
 
 E-fermi :  -3.1846     XC(G=0):  -2.3640     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4242      1.00000
      2     -21.6010      1.00000
      3     -21.4793      1.00000
      4     -21.4701      1.00000
      5     -21.4385      1.00000
      6     -21.4378      1.00000
      7     -21.4274      1.00000
      8     -19.7053      1.00000
      9     -19.6501      1.00000
     10     -19.6267      1.00000
     11     -19.6162      1.00000
     12     -19.6110      1.00000
     13     -19.6092      1.00000
     14     -18.7879      1.00000
     15     -18.7519      1.00000
     16     -18.7320      1.00000
     17     -18.7226      1.00000
     18     -18.7153      1.00000
     19     -18.7109      1.00000
     20     -16.6318      1.00000
     21     -16.6063      1.00000
     22     -16.5822      1.00000
     23     -16.5787      1.00000
     24     -16.5515      1.00000
     25     -16.5500      1.00000
     26     -15.6115      1.00000
     27     -15.6006      1.00000
     28     -15.5966      1.00000
     29     -15.5617      1.00000
     30     -15.5603      1.00000
     31     -15.5579      1.00000
     32     -14.2567      1.00000
     33     -14.2473      1.00000
     34     -14.2384      1.00000
     35     -14.2335      1.00000
     36     -14.2190      1.00000
     37     -14.2167      1.00000
     38     -11.9032      1.00000
     39     -11.8764      1.00000
     40     -11.8661      1.00000
     41     -11.8616      1.00000
     42     -11.8413      1.00000
     43     -11.8412      1.00000
     44     -11.7680      1.00000
     45     -11.7659      1.00000
     46     -11.7320      1.00000
     47     -11.7257      1.00000
     48     -11.7226      1.00000
     49     -11.7193      1.00000
     50     -10.6743      1.00000
     51     -10.3850      1.00000
     52     -10.3813      1.00000
     53     -10.3739      1.00000
     54     -10.3650      1.00000
     55     -10.3533      1.00000
     56     -10.3505      1.00000
     57      -9.9022      1.00000
     58      -9.4486      1.00000
     59      -9.4033      1.00000
     60      -9.3603      1.00000
     61      -9.3597      1.00000
     62      -9.3518      1.00000
     63      -9.1390      1.00000
     64      -9.1203      1.00000
     65      -9.1178      1.00000
     66      -9.0826      1.00000
     67      -9.0684      1.00000
     68      -9.0674      1.00000
     69      -9.0660      1.00000
     70      -9.0616      1.00000
     71      -9.0613      1.00000
     72      -9.0348      1.00000
     73      -9.0248      1.00000
     74      -9.0234      1.00000
     75      -8.1283      1.00000
     76      -7.7443      1.00000
     77      -7.4670      1.00000
     78      -7.4630      1.00000
     79      -7.4502      1.00000
     80      -7.4314      1.00000
     81      -7.4213      1.00000
     82      -7.4022      1.00000
     83      -7.3101      1.00000
     84      -7.2691      1.00000
     85      -7.2553      1.00000
     86      -7.2463      1.00000
     87      -7.1484      1.00000
     88      -7.0466      1.00000
     89      -6.4442      1.00000
     90      -6.4132      1.00000
     91      -6.3977      1.00000
     92      -6.3612      1.00000
     93      -6.3509      1.00000
     94      -6.3383      1.00000
     95      -5.9570      1.00000
     96      -5.9533      1.00000
     97      -4.8045      1.00000
     98      -4.5424      1.00000
     99      -4.4792      1.00000
    100      -4.4725      1.00000
    101      -4.3801      1.00000
    102      -4.3793      1.00000
    103      -4.2654      1.00000
    104      -4.1859      1.00000
    105      -3.7376      1.00000
    106      -3.4763      1.00000
    107      -1.8617      0.00000
    108      -1.6679      0.00000
    109      -1.6210      0.00000
    110      -1.5887      0.00000
    111      -1.5733      0.00000
    112      -1.5724      0.00000
    113      -0.4277      0.00000
    114       0.1492      0.00000
    115       0.1934      0.00000
    116       0.2571      0.00000
    117       0.2703      0.00000
    118       0.2740      0.00000
    119       0.4794      0.00000
    120       0.5486      0.00000
    121       1.2445      0.00000
    122       1.2915      0.00000
    123       1.5244      0.00000
    124       1.7722      0.00000
    125       1.7743      0.00000
    126       1.7754      0.00000
    127       1.7786      0.00000
    128       1.8310      0.00000
    129       1.9598      0.00000
    130       1.9696      0.00000
    131       1.9776      0.00000
    132       1.9920      0.00000
    133       1.9989      0.00000
    134       2.0786      0.00000
    135       2.2466      0.00000
    136       2.3370      0.00000
    137       2.5992      0.00000
    138       2.6002      0.00000
    139       2.6270      0.00000
    140       2.6669      0.00000
    141       2.9284      0.00000
    142       3.0192      0.00000
    143       3.0358      0.00000
    144       3.0627      0.00000
    145       3.0651      0.00000
    146       3.0678      0.00000
    147       3.0792      0.00000
    148       3.2551      0.00000
    149       3.4292      0.00000
    150       3.4877      0.00000
    151       3.7974      0.00000
    152       3.8974      0.00000
    153       3.9002      0.00000
    154       3.9013      0.00000
    155       3.9355      0.00000
    156       3.9827      0.00000
    157       4.1719      0.00000
    158       4.2621      0.00000
    159       4.2649      0.00000
    160       4.2836      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3875      1.00000
      2     -21.8284      1.00000
      3     -21.6360      1.00000
      4     -21.6082      1.00000
      5     -21.2724      1.00000
      6     -21.2330      1.00000
      7     -21.0546      1.00000
      8     -20.1654      1.00000
      9     -20.1272      1.00000
     10     -19.6064      1.00000
     11     -19.5949      1.00000
     12     -19.4149      1.00000
     13     -19.0872      1.00000
     14     -19.0580      1.00000
     15     -19.0465      1.00000
     16     -19.0386      1.00000
     17     -18.3584      1.00000
     18     -18.3495      1.00000
     19     -18.0165      1.00000
     20     -17.0665      1.00000
     21     -17.0279      1.00000
     22     -16.9413      1.00000
     23     -16.9374      1.00000
     24     -16.4651      1.00000
     25     -16.4608      1.00000
     26     -15.6108      1.00000
     27     -15.6051      1.00000
     28     -15.2498      1.00000
     29     -15.2406      1.00000
     30     -15.1824      1.00000
     31     -15.0959      1.00000
     32     -15.0683      1.00000
     33     -14.6958      1.00000
     34     -14.6935      1.00000
     35     -13.7239      1.00000
     36     -13.7207      1.00000
     37     -13.2333      1.00000
     38     -12.6120      1.00000
     39     -12.5812      1.00000
     40     -12.4519      1.00000
     41     -12.4477      1.00000
     42     -12.1065      1.00000
     43     -12.1011      1.00000
     44     -11.7140      1.00000
     45     -11.6832      1.00000
     46     -11.2321      1.00000
     47     -11.2233      1.00000
     48     -11.0152      1.00000
     49     -11.0069      1.00000
     50     -10.9232      1.00000
     51     -10.9022      1.00000
     52     -10.6293      1.00000
     53     -10.1526      1.00000
     54     -10.1481      1.00000
     55     -10.0895      1.00000
     56      -9.9966      1.00000
     57      -9.6993      1.00000
     58      -9.6928      1.00000
     59      -9.6535      1.00000
     60      -9.5898      1.00000
     61      -9.5727      1.00000
     62      -9.5565      1.00000
     63      -9.3046      1.00000
     64      -9.3003      1.00000
     65      -9.2719      1.00000
     66      -9.2331      1.00000
     67      -9.1347      1.00000
     68      -9.1130      1.00000
     69      -9.1078      1.00000
     70      -8.9375      1.00000
     71      -8.8686      1.00000
     72      -8.6004      1.00000
     73      -8.5879      1.00000
     74      -8.2347      1.00000
     75      -8.0982      1.00000
     76      -7.9113      1.00000
     77      -7.8601      1.00000
     78      -7.7695      1.00000
     79      -7.7533      1.00000
     80      -7.6899      1.00000
     81      -7.5586      1.00000
     82      -7.3370      1.00000
     83      -7.3193      1.00000
     84      -7.2025      1.00000
     85      -7.1209      1.00000
     86      -7.0297      1.00000
     87      -7.0084      1.00000
     88      -6.7022      1.00000
     89      -6.6757      1.00000
     90      -6.6385      1.00000
     91      -6.5957      1.00000
     92      -6.1137      1.00000
     93      -6.0593      1.00000
     94      -6.0276      1.00000
     95      -6.0092      1.00000
     96      -5.7808      1.00000
     97      -4.9723      1.00000
     98      -4.8301      1.00000
     99      -4.7445      1.00000
    100      -4.6772      1.00000
    101      -4.4673      1.00000
    102      -4.2021      1.00000
    103      -4.1702      1.00000
    104      -4.1256      1.00000
    105      -3.7280      1.00000
    106      -3.4865      1.00000
    107      -1.8688      0.00000
    108      -1.8059      0.00000
    109      -1.5227      0.00000
    110      -1.3741      0.00000
    111      -1.3197      0.00000
    112      -1.2854      0.00000
    113      -0.7184      0.00000
    114      -0.3743      0.00000
    115      -0.2468      0.00000
    116       0.0387      0.00000
    117       0.5571      0.00000
    118       0.7011      0.00000
    119       0.7483      0.00000
    120       1.0497      0.00000
    121       1.1016      0.00000
    122       1.1506      0.00000
    123       1.2287      0.00000
    124       1.3763      0.00000
    125       1.5213      0.00000
    126       1.5758      0.00000
    127       1.7126      0.00000
    128       1.7969      0.00000
    129       1.8573      0.00000
    130       1.8836      0.00000
    131       2.0935      0.00000
    132       2.1838      0.00000
    133       2.2389      0.00000
    134       2.2970      0.00000
    135       2.5020      0.00000
    136       2.5765      0.00000
    137       2.6058      0.00000
    138       2.7535      0.00000
    139       2.7858      0.00000
    140       2.8239      0.00000
    141       2.8308      0.00000
    142       2.8825      0.00000
    143       2.9269      0.00000
    144       3.0674      0.00000
    145       3.1421      0.00000
    146       3.2929      0.00000
    147       3.3534      0.00000
    148       3.4043      0.00000
    149       3.4410      0.00000
    150       3.5779      0.00000
    151       3.6277      0.00000
    152       3.6302      0.00000
    153       3.6874      0.00000
    154       3.8784      0.00000
    155       3.9434      0.00000
    156       4.0047      0.00000
    157       4.0561      0.00000
    158       4.1953      0.00000
    159       4.2254      0.00000
    160       4.2644      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2815      1.00000
      2     -22.0758      1.00000
      3     -21.7144      1.00000
      4     -21.6827      1.00000
      5     -20.9772      1.00000
      6     -20.9366      1.00000
      7     -20.6096      1.00000
      8     -20.5728      1.00000
      9     -20.5668      1.00000
     10     -20.0303      1.00000
     11     -19.5012      1.00000
     12     -19.4891      1.00000
     13     -19.3046      1.00000
     14     -19.2989      1.00000
     15     -18.4453      1.00000
     16     -18.4085      1.00000
     17     -17.9200      1.00000
     18     -17.9102      1.00000
     19     -17.7591      1.00000
     20     -17.7234      1.00000
     21     -17.4335      1.00000
     22     -17.4258      1.00000
     23     -17.3382      1.00000
     24     -16.4601      1.00000
     25     -16.4591      1.00000
     26     -15.9647      1.00000
     27     -15.4111      1.00000
     28     -15.4065      1.00000
     29     -15.0936      1.00000
     30     -15.0906      1.00000
     31     -14.8524      1.00000
     32     -14.8441      1.00000
     33     -14.2882      1.00000
     34     -14.2547      1.00000
     35     -13.4345      1.00000
     36     -13.4013      1.00000
     37     -13.1748      1.00000
     38     -13.1707      1.00000
     39     -12.9795      1.00000
     40     -12.9743      1.00000
     41     -12.6104      1.00000
     42     -12.6063      1.00000
     43     -12.1953      1.00000
     44     -11.5732      1.00000
     45     -11.5396      1.00000
     46     -11.3073      1.00000
     47     -11.2847      1.00000
     48     -11.1395      1.00000
     49     -10.6728      1.00000
     50     -10.6583      1.00000
     51     -10.5512      1.00000
     52     -10.3213      1.00000
     53     -10.3144      1.00000
     54     -10.1672      1.00000
     55     -10.1127      1.00000
     56     -10.1093      1.00000
     57      -9.7960      1.00000
     58      -9.7629      1.00000
     59      -9.7488      1.00000
     60      -9.6966      1.00000
     61      -9.6948      1.00000
     62      -9.6600      1.00000
     63      -9.3523      1.00000
     64      -9.3479      1.00000
     65      -9.3119      1.00000
     66      -9.0389      1.00000
     67      -8.9600      1.00000
     68      -8.9459      1.00000
     69      -8.7975      1.00000
     70      -8.5915      1.00000
     71      -8.5554      1.00000
     72      -8.3962      1.00000
     73      -8.3628      1.00000
     74      -8.3210      1.00000
     75      -8.3042      1.00000
     76      -8.2552      1.00000
     77      -8.2540      1.00000
     78      -8.2326      1.00000
     79      -7.9027      1.00000
     80      -7.6492      1.00000
     81      -7.5474      1.00000
     82      -7.3846      1.00000
     83      -7.3463      1.00000
     84      -7.2286      1.00000
     85      -7.0944      1.00000
     86      -7.0361      1.00000
     87      -6.9318      1.00000
     88      -6.8458      1.00000
     89      -6.6086      1.00000
     90      -6.5565      1.00000
     91      -6.2657      1.00000
     92      -6.0415      1.00000
     93      -5.9493      1.00000
     94      -5.6603      1.00000
     95      -5.6206      1.00000
     96      -5.4608      1.00000
     97      -5.3175      1.00000
     98      -5.2764      1.00000
     99      -5.2112      1.00000
    100      -5.1918      1.00000
    101      -4.5072      1.00000
    102      -4.2065      1.00000
    103      -4.0576      1.00000
    104      -3.9868      1.00000
    105      -3.6927      1.00000
    106      -3.4968      1.00000
    107      -1.9436      0.00000
    108      -1.8939      0.00000
    109      -1.3377      0.00000
    110      -1.0830      0.00000
    111      -1.0549      0.00000
    112      -0.7986      0.00000
    113      -0.6744      0.00000
    114      -0.6451      0.00000
    115      -0.6047      0.00000
    116      -0.1065      0.00000
    117       0.2181      0.00000
    118       0.3309      0.00000
    119       0.6952      0.00000
    120       0.8890      0.00000
    121       1.1292      0.00000
    122       1.2014      0.00000
    123       1.3265      0.00000
    124       1.4196      0.00000
    125       1.5554      0.00000
    126       1.5776      0.00000
    127       1.6751      0.00000
    128       1.8010      0.00000
    129       1.8671      0.00000
    130       2.0455      0.00000
    131       2.1017      0.00000
    132       2.3106      0.00000
    133       2.3556      0.00000
    134       2.3911      0.00000
    135       2.5345      0.00000
    136       2.6232      0.00000
    137       2.7232      0.00000
    138       2.7275      0.00000
    139       2.7897      0.00000
    140       2.8594      0.00000
    141       3.0143      0.00000
    142       3.0520      0.00000
    143       3.1497      0.00000
    144       3.2531      0.00000
    145       3.3559      0.00000
    146       3.4043      0.00000
    147       3.4180      0.00000
    148       3.5410      0.00000
    149       3.5544      0.00000
    150       3.5861      0.00000
    151       3.6548      0.00000
    152       3.6665      0.00000
    153       3.7594      0.00000
    154       3.7739      0.00000
    155       3.7861      0.00000
    156       3.8790      0.00000
    157       3.9117      0.00000
    158       3.9815      0.00000
    159       4.1977      0.00000
    160       4.2106      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3155      1.00000
      2     -21.9607      1.00000
      3     -21.8915      1.00000
      4     -21.3787      1.00000
      5     -21.3495      1.00000
      6     -20.8375      1.00000
      7     -20.7722      1.00000
      8     -20.6219      1.00000
      9     -20.0751      1.00000
     10     -20.0697      1.00000
     11     -19.7146      1.00000
     12     -19.6900      1.00000
     13     -18.9939      1.00000
     14     -18.9884      1.00000
     15     -18.6381      1.00000
     16     -18.6223      1.00000
     17     -18.4598      1.00000
     18     -17.6728      1.00000
     19     -17.6224      1.00000
     20     -17.6197      1.00000
     21     -17.5777      1.00000
     22     -17.1241      1.00000
     23     -17.1023      1.00000
     24     -16.9596      1.00000
     25     -15.9994      1.00000
     26     -15.9261      1.00000
     27     -15.5833      1.00000
     28     -15.5832      1.00000
     29     -15.2835      1.00000
     30     -14.8619      1.00000
     31     -14.8344      1.00000
     32     -14.5765      1.00000
     33     -14.5345      1.00000
     34     -14.1652      1.00000
     35     -14.1519      1.00000
     36     -13.1461      1.00000
     37     -13.0984      1.00000
     38     -13.0272      1.00000
     39     -13.0168      1.00000
     40     -12.7065      1.00000
     41     -12.7026      1.00000
     42     -12.3386      1.00000
     43     -12.3074      1.00000
     44     -11.6325      1.00000
     45     -11.6188      1.00000
     46     -11.5682      1.00000
     47     -10.9461      1.00000
     48     -10.9132      1.00000
     49     -10.6304      1.00000
     50     -10.6224      1.00000
     51     -10.5453      1.00000
     52     -10.4964      1.00000
     53     -10.4963      1.00000
     54     -10.4379      1.00000
     55     -10.3584      1.00000
     56     -10.0976      1.00000
     57      -9.9015      1.00000
     58      -9.6068      1.00000
     59      -9.5541      1.00000
     60      -9.4499      1.00000
     61      -9.4087      1.00000
     62      -9.4023      1.00000
     63      -9.3751      1.00000
     64      -9.3750      1.00000
     65      -9.2854      1.00000
     66      -9.1649      1.00000
     67      -9.1394      1.00000
     68      -9.1103      1.00000
     69      -8.8612      1.00000
     70      -8.8537      1.00000
     71      -8.8131      1.00000
     72      -8.5948      1.00000
     73      -8.4780      1.00000
     74      -8.1951      1.00000
     75      -8.1598      1.00000
     76      -8.0068      1.00000
     77      -7.9622      1.00000
     78      -7.8491      1.00000
     79      -7.8382      1.00000
     80      -7.7014      1.00000
     81      -7.6942      1.00000
     82      -7.6200      1.00000
     83      -7.4465      1.00000
     84      -7.2984      1.00000
     85      -7.2511      1.00000
     86      -6.9029      1.00000
     87      -6.8892      1.00000
     88      -6.5863      1.00000
     89      -6.5490      1.00000
     90      -6.4049      1.00000
     91      -6.2515      1.00000
     92      -6.2307      1.00000
     93      -6.2005      1.00000
     94      -6.0206      1.00000
     95      -5.5474      1.00000
     96      -5.4865      1.00000
     97      -5.3480      1.00000
     98      -5.2171      1.00000
     99      -4.9776      1.00000
    100      -4.7307      1.00000
    101      -4.6758      1.00000
    102      -4.3857      1.00000
    103      -4.2018      1.00000
    104      -3.8694      1.00000
    105      -3.5448      1.00000
    106      -3.5089      1.00000
    107      -2.2530      0.00000
    108      -1.4557      0.00000
    109      -1.3677      0.00000
    110      -1.2391      0.00000
    111      -1.0958      0.00000
    112      -0.9433      0.00000
    113      -0.8619      0.00000
    114      -0.8015      0.00000
    115      -0.1380      0.00000
    116       0.1147      0.00000
    117       0.2435      0.00000
    118       0.3799      0.00000
    119       0.6526      0.00000
    120       0.8378      0.00000
    121       0.9388      0.00000
    122       1.0648      0.00000
    123       1.2340      0.00000
    124       1.4468      0.00000
    125       1.5433      0.00000
    126       1.7680      0.00000
    127       1.7893      0.00000
    128       1.8572      0.00000
    129       1.9635      0.00000
    130       2.0360      0.00000
    131       2.1713      0.00000
    132       2.1832      0.00000
    133       2.4032      0.00000
    134       2.4260      0.00000
    135       2.5104      0.00000
    136       2.6067      0.00000
    137       2.6370      0.00000
    138       2.6953      0.00000
    139       2.7425      0.00000
    140       2.8243      0.00000
    141       2.9412      0.00000
    142       3.0577      0.00000
    143       3.1820      0.00000
    144       3.1899      0.00000
    145       3.2281      0.00000
    146       3.2715      0.00000
    147       3.3067      0.00000
    148       3.4506      0.00000
    149       3.4929      0.00000
    150       3.6950      0.00000
    151       3.7058      0.00000
    152       3.7196      0.00000
    153       3.8548      0.00000
    154       3.8930      0.00000
    155       3.9165      0.00000
    156       3.9704      0.00000
    157       3.9912      0.00000
    158       4.0208      0.00000
    159       4.0287      0.00000
    160       4.0336      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2085      1.00000
      2     -22.1154      1.00000
      3     -21.9547      1.00000
      4     -21.4023      1.00000
      5     -21.0477      1.00000
      6     -21.0117      1.00000
      7     -20.4986      1.00000
      8     -20.4590      1.00000
      9     -20.2926      1.00000
     10     -20.2735      1.00000
     11     -19.9553      1.00000
     12     -19.8895      1.00000
     13     -18.8802      1.00000
     14     -18.8114      1.00000
     15     -18.3506      1.00000
     16     -18.3043      1.00000
     17     -18.1506      1.00000
     18     -18.1335      1.00000
     19     -17.8243      1.00000
     20     -17.7868      1.00000
     21     -17.2492      1.00000
     22     -17.2393      1.00000
     23     -17.1621      1.00000
     24     -17.1305      1.00000
     25     -16.1080      1.00000
     26     -15.8827      1.00000
     27     -15.8679      1.00000
     28     -15.8314      1.00000
     29     -15.2337      1.00000
     30     -14.5525      1.00000
     31     -14.5245      1.00000
     32     -14.2773      1.00000
     33     -13.9616      1.00000
     34     -13.9540      1.00000
     35     -13.8179      1.00000
     36     -13.8021      1.00000
     37     -13.6118      1.00000
     38     -13.5681      1.00000
     39     -13.3676      1.00000
     40     -12.6323      1.00000
     41     -12.1781      1.00000
     42     -12.1302      1.00000
     43     -12.0691      1.00000
     44     -12.0169      1.00000
     45     -11.6674      1.00000
     46     -11.6538      1.00000
     47     -11.1360      1.00000
     48     -11.1156      1.00000
     49     -10.7915      1.00000
     50     -10.7280      1.00000
     51     -10.5273      1.00000
     52     -10.2069      1.00000
     53     -10.2025      1.00000
     54     -10.1627      1.00000
     55     -10.0155      1.00000
     56     -10.0022      1.00000
     57      -9.9881      1.00000
     58      -9.7988      1.00000
     59      -9.7950      1.00000
     60      -9.7597      1.00000
     61      -9.7547      1.00000
     62      -9.4513      1.00000
     63      -9.4154      1.00000
     64      -9.0783      1.00000
     65      -9.0702      1.00000
     66      -9.0381      1.00000
     67      -8.9520      1.00000
     68      -8.8752      1.00000
     69      -8.7096      1.00000
     70      -8.6972      1.00000
     71      -8.5626      1.00000
     72      -8.5396      1.00000
     73      -8.4969      1.00000
     74      -8.4605      1.00000
     75      -8.4498      1.00000
     76      -8.2583      1.00000
     77      -8.1233      1.00000
     78      -8.0413      1.00000
     79      -7.9134      1.00000
     80      -7.8612      1.00000
     81      -7.6127      1.00000
     82      -7.5456      1.00000
     83      -7.4873      1.00000
     84      -7.2658      1.00000
     85      -6.9932      1.00000
     86      -6.9205      1.00000
     87      -6.8799      1.00000
     88      -6.5287      1.00000
     89      -6.4835      1.00000
     90      -6.4588      1.00000
     91      -6.4080      1.00000
     92      -5.9816      1.00000
     93      -5.8952      1.00000
     94      -5.7820      1.00000
     95      -5.7575      1.00000
     96      -5.4297      1.00000
     97      -5.3272      1.00000
     98      -5.2275      1.00000
     99      -5.2151      1.00000
    100      -5.1865      1.00000
    101      -4.6903      1.00000
    102      -4.4199      1.00000
    103      -4.2083      1.00000
    104      -3.8326      1.00000
    105      -3.5281      1.00000
    106      -3.2722      1.00000
    107      -2.5284      0.00000
    108      -1.4570      0.00000
    109      -1.2636      0.00000
    110      -1.2007      0.00000
    111      -1.1698      0.00000
    112      -0.7183      0.00000
    113      -0.5012      0.00000
    114      -0.4099      0.00000
    115      -0.3365      0.00000
    116      -0.1440      0.00000
    117      -0.0007      0.00000
    118       0.1959      0.00000
    119       0.5641      0.00000
    120       0.6148      0.00000
    121       0.7973      0.00000
    122       0.9080      0.00000
    123       1.1332      0.00000
    124       1.4901      0.00000
    125       1.6312      0.00000
    126       1.8411      0.00000
    127       1.9198      0.00000
    128       2.0980      0.00000
    129       2.1105      0.00000
    130       2.1182      0.00000
    131       2.1756      0.00000
    132       2.2820      0.00000
    133       2.3190      0.00000
    134       2.4612      0.00000
    135       2.5744      0.00000
    136       2.6496      0.00000
    137       2.8495      0.00000
    138       2.8715      0.00000
    139       2.8911      0.00000
    140       2.9645      0.00000
    141       2.9907      0.00000
    142       3.1367      0.00000
    143       3.1515      0.00000
    144       3.2006      0.00000
    145       3.2632      0.00000
    146       3.2831      0.00000
    147       3.3009      0.00000
    148       3.3455      0.00000
    149       3.4162      0.00000
    150       3.4335      0.00000
    151       3.5390      0.00000
    152       3.6068      0.00000
    153       3.6761      0.00000
    154       3.7022      0.00000
    155       3.7679      0.00000
    156       3.8931      0.00000
    157       3.9081      0.00000
    158       3.9917      0.00000
    159       4.1217      0.00000
    160       4.2068      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3153      1.00000
      2     -21.9623      1.00000
      3     -21.8900      1.00000
      4     -21.3825      1.00000
      5     -21.3460      1.00000
      6     -20.8373      1.00000
      7     -20.7708      1.00000
      8     -20.6227      1.00000
      9     -20.0873      1.00000
     10     -20.0586      1.00000
     11     -19.7162      1.00000
     12     -19.6873      1.00000
     13     -19.0075      1.00000
     14     -18.9764      1.00000
     15     -18.6473      1.00000
     16     -18.6147      1.00000
     17     -18.4582      1.00000
     18     -17.6582      1.00000
     19     -17.6441      1.00000
     20     -17.6080      1.00000
     21     -17.5754      1.00000
     22     -17.1347      1.00000
     23     -17.0948      1.00000
     24     -16.9631      1.00000
     25     -16.0054      1.00000
     26     -15.9210      1.00000
     27     -15.5961      1.00000
     28     -15.5727      1.00000
     29     -15.2774      1.00000
     30     -14.8740      1.00000
     31     -14.8270      1.00000
     32     -14.5718      1.00000
     33     -14.5342      1.00000
     34     -14.1615      1.00000
     35     -14.1573      1.00000
     36     -13.1594      1.00000
     37     -13.0930      1.00000
     38     -13.0201      1.00000
     39     -13.0157      1.00000
     40     -12.7150      1.00000
     41     -12.6918      1.00000
     42     -12.3381      1.00000
     43     -12.3108      1.00000
     44     -11.6290      1.00000
     45     -11.6199      1.00000
     46     -11.5677      1.00000
     47     -10.9382      1.00000
     48     -10.9202      1.00000
     49     -10.6665      1.00000
     50     -10.5866      1.00000
     51     -10.5707      1.00000
     52     -10.4985      1.00000
     53     -10.4860      1.00000
     54     -10.4357      1.00000
     55     -10.3529      1.00000
     56     -10.1019      1.00000
     57      -9.8958      1.00000
     58      -9.6053      1.00000
     59      -9.5481      1.00000
     60      -9.4520      1.00000
     61      -9.4158      1.00000
     62      -9.4063      1.00000
     63      -9.3763      1.00000
     64      -9.3688      1.00000
     65      -9.2654      1.00000
     66      -9.1627      1.00000
     67      -9.1384      1.00000
     68      -9.1134      1.00000
     69      -8.8633      1.00000
     70      -8.8572      1.00000
     71      -8.8004      1.00000
     72      -8.5944      1.00000
     73      -8.5247      1.00000
     74      -8.1904      1.00000
     75      -8.1677      1.00000
     76      -8.0739      1.00000
     77      -7.8543      1.00000
     78      -7.8342      1.00000
     79      -7.8208      1.00000
     80      -7.7075      1.00000
     81      -7.6928      1.00000
     82      -7.5952      1.00000
     83      -7.5280      1.00000
     84      -7.3481      1.00000
     85      -7.1655      1.00000
     86      -6.9025      1.00000
     87      -6.8923      1.00000
     88      -6.5902      1.00000
     89      -6.5492      1.00000
     90      -6.4021      1.00000
     91      -6.2998      1.00000
     92      -6.2451      1.00000
     93      -6.1986      1.00000
     94      -6.0019      1.00000
     95      -5.5295      1.00000
     96      -5.4633      1.00000
     97      -5.3118      1.00000
     98      -5.2073      1.00000
     99      -5.0445      1.00000
    100      -4.7212      1.00000
    101      -4.6696      1.00000
    102      -4.4223      1.00000
    103      -4.1934      1.00000
    104      -3.8413      1.00000
    105      -3.6328      1.00000
    106      -3.4143      1.00000
    107      -2.2909      0.00000
    108      -1.5081      0.00000
    109      -1.2677      0.00000
    110      -1.2600      0.00000
    111      -1.0322      0.00000
    112      -0.9743      0.00000
    113      -0.8657      0.00000
    114      -0.7971      0.00000
    115      -0.2603      0.00000
    116       0.2063      0.00000
    117       0.2419      0.00000
    118       0.3621      0.00000
    119       0.6920      0.00000
    120       0.8967      0.00000
    121       0.9256      0.00000
    122       1.0416      0.00000
    123       1.1678      0.00000
    124       1.5092      0.00000
    125       1.5526      0.00000
    126       1.7046      0.00000
    127       1.7796      0.00000
    128       1.8273      0.00000
    129       1.9515      0.00000
    130       1.9766      0.00000
    131       2.1727      0.00000
    132       2.2528      0.00000
    133       2.4097      0.00000
    134       2.4320      0.00000
    135       2.5079      0.00000
    136       2.6012      0.00000
    137       2.6205      0.00000
    138       2.6980      0.00000
    139       2.7243      0.00000
    140       2.8503      0.00000
    141       3.0317      0.00000
    142       3.0573      0.00000
    143       3.1690      0.00000
    144       3.2152      0.00000
    145       3.2286      0.00000
    146       3.2711      0.00000
    147       3.3148      0.00000
    148       3.4374      0.00000
    149       3.5126      0.00000
    150       3.6900      0.00000
    151       3.7185      0.00000
    152       3.7352      0.00000
    153       3.8221      0.00000
    154       3.8674      0.00000
    155       3.9110      0.00000
    156       3.9624      0.00000
    157       3.9969      0.00000
    158       4.0108      0.00000
    159       4.0208      0.00000
    160       4.0751      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3874      1.00000
      2     -21.8286      1.00000
      3     -21.6392      1.00000
      4     -21.6043      1.00000
      5     -21.2766      1.00000
      6     -21.2296      1.00000
      7     -21.0542      1.00000
      8     -20.1692      1.00000
      9     -20.1230      1.00000
     10     -19.6151      1.00000
     11     -19.5881      1.00000
     12     -19.4132      1.00000
     13     -19.0924      1.00000
     14     -19.0537      1.00000
     15     -19.0492      1.00000
     16     -19.0359      1.00000
     17     -18.3647      1.00000
     18     -18.3442      1.00000
     19     -18.0141      1.00000
     20     -17.0698      1.00000
     21     -17.0210      1.00000
     22     -16.9471      1.00000
     23     -16.9329      1.00000
     24     -16.4718      1.00000
     25     -16.4605      1.00000
     26     -15.6072      1.00000
     27     -15.6067      1.00000
     28     -15.2479      1.00000
     29     -15.2349      1.00000
     30     -15.1883      1.00000
     31     -15.0985      1.00000
     32     -15.0648      1.00000
     33     -14.6962      1.00000
     34     -14.6946      1.00000
     35     -13.7228      1.00000
     36     -13.7221      1.00000
     37     -13.2318      1.00000
     38     -12.6213      1.00000
     39     -12.5763      1.00000
     40     -12.4518      1.00000
     41     -12.4460      1.00000
     42     -12.1032      1.00000
     43     -12.0973      1.00000
     44     -11.7194      1.00000
     45     -11.6808      1.00000
     46     -11.2427      1.00000
     47     -11.2212      1.00000
     48     -11.0145      1.00000
     49     -11.0025      1.00000
     50     -10.9253      1.00000
     51     -10.8968      1.00000
     52     -10.6353      1.00000
     53     -10.1688      1.00000
     54     -10.1460      1.00000
     55     -10.0807      1.00000
     56      -9.9901      1.00000
     57      -9.6933      1.00000
     58      -9.6872      1.00000
     59      -9.6683      1.00000
     60      -9.5885      1.00000
     61      -9.5651      1.00000
     62      -9.5515      1.00000
     63      -9.3097      1.00000
     64      -9.2966      1.00000
     65      -9.2808      1.00000
     66      -9.2407      1.00000
     67      -9.1199      1.00000
     68      -9.1088      1.00000
     69      -9.1076      1.00000
     70      -8.9375      1.00000
     71      -8.8732      1.00000
     72      -8.6021      1.00000
     73      -8.5843      1.00000
     74      -8.2692      1.00000
     75      -8.0971      1.00000
     76      -7.8656      1.00000
     77      -7.8414      1.00000
     78      -7.7885      1.00000
     79      -7.7618      1.00000
     80      -7.7517      1.00000
     81      -7.4453      1.00000
     82      -7.3312      1.00000
     83      -7.3186      1.00000
     84      -7.2635      1.00000
     85      -7.1605      1.00000
     86      -7.0131      1.00000
     87      -6.9841      1.00000
     88      -6.7151      1.00000
     89      -6.6885      1.00000
     90      -6.6295      1.00000
     91      -6.5882      1.00000
     92      -6.1129      1.00000
     93      -6.0568      1.00000
     94      -6.0422      1.00000
     95      -6.0266      1.00000
     96      -5.7460      1.00000
     97      -4.9726      1.00000
     98      -4.8372      1.00000
     99      -4.7067      1.00000
    100      -4.6717      1.00000
    101      -4.4819      1.00000
    102      -4.3509      1.00000
    103      -4.1093      1.00000
    104      -4.0537      1.00000
    105      -3.7533      1.00000
    106      -3.4640      1.00000
    107      -1.9502      0.00000
    108      -1.7688      0.00000
    109      -1.4778      0.00000
    110      -1.3532      0.00000
    111      -1.3331      0.00000
    112      -1.2891      0.00000
    113      -0.6755      0.00000
    114      -0.4700      0.00000
    115      -0.2340      0.00000
    116       0.0535      0.00000
    117       0.5884      0.00000
    118       0.6938      0.00000
    119       0.7722      0.00000
    120       1.0254      0.00000
    121       1.0998      0.00000
    122       1.1776      0.00000
    123       1.2516      0.00000
    124       1.3346      0.00000
    125       1.4319      0.00000
    126       1.5899      0.00000
    127       1.7454      0.00000
    128       1.8434      0.00000
    129       1.8596      0.00000
    130       1.8883      0.00000
    131       2.0402      0.00000
    132       2.2148      0.00000
    133       2.2283      0.00000
    134       2.2761      0.00000
    135       2.4706      0.00000
    136       2.5865      0.00000
    137       2.6263      0.00000
    138       2.7443      0.00000
    139       2.7547      0.00000
    140       2.8366      0.00000
    141       2.8423      0.00000
    142       2.8426      0.00000
    143       2.9264      0.00000
    144       3.0733      0.00000
    145       3.2919      0.00000
    146       3.3391      0.00000
    147       3.3756      0.00000
    148       3.3939      0.00000
    149       3.4013      0.00000
    150       3.5542      0.00000
    151       3.6159      0.00000
    152       3.6423      0.00000
    153       3.7143      0.00000
    154       3.8817      0.00000
    155       3.9047      0.00000
    156       3.9371      0.00000
    157       4.0954      0.00000
    158       4.1856      0.00000
    159       4.2107      0.00000
    160       4.2658      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2076      1.00000
      2     -22.1167      1.00000
      3     -21.9544      1.00000
      4     -21.4024      1.00000
      5     -21.0438      1.00000
      6     -21.0155      1.00000
      7     -20.4936      1.00000
      8     -20.4638      1.00000
      9     -20.2838      1.00000
     10     -20.2819      1.00000
     11     -19.9543      1.00000
     12     -19.8912      1.00000
     13     -18.8810      1.00000
     14     -18.8133      1.00000
     15     -18.3354      1.00000
     16     -18.3158      1.00000
     17     -18.1466      1.00000
     18     -18.1389      1.00000
     19     -17.8133      1.00000
     20     -17.7949      1.00000
     21     -17.2553      1.00000
     22     -17.2359      1.00000
     23     -17.1577      1.00000
     24     -17.1329      1.00000
     25     -16.1131      1.00000
     26     -15.8783      1.00000
     27     -15.8672      1.00000
     28     -15.8374      1.00000
     29     -15.2285      1.00000
     30     -14.5484      1.00000
     31     -14.5301      1.00000
     32     -14.2732      1.00000
     33     -13.9718      1.00000
     34     -13.9480      1.00000
     35     -13.8212      1.00000
     36     -13.7993      1.00000
     37     -13.6016      1.00000
     38     -13.5761      1.00000
     39     -13.3673      1.00000
     40     -12.6354      1.00000
     41     -12.1665      1.00000
     42     -12.1398      1.00000
     43     -12.0658      1.00000
     44     -12.0188      1.00000
     45     -11.6612      1.00000
     46     -11.6567      1.00000
     47     -11.1339      1.00000
     48     -11.1231      1.00000
     49     -10.7883      1.00000
     50     -10.7319      1.00000
     51     -10.5340      1.00000
     52     -10.2049      1.00000
     53     -10.1990      1.00000
     54     -10.1684      1.00000
     55     -10.0196      1.00000
     56      -9.9919      1.00000
     57      -9.9867      1.00000
     58      -9.8018      1.00000
     59      -9.7926      1.00000
     60      -9.7610      1.00000
     61      -9.7537      1.00000
     62      -9.4522      1.00000
     63      -9.4153      1.00000
     64      -9.0815      1.00000
     65      -9.0424      1.00000
     66      -9.0232      1.00000
     67      -8.9679      1.00000
     68      -8.8958      1.00000
     69      -8.7046      1.00000
     70      -8.6958      1.00000
     71      -8.5578      1.00000
     72      -8.5472      1.00000
     73      -8.4756      1.00000
     74      -8.4567      1.00000
     75      -8.4541      1.00000
     76      -8.3066      1.00000
     77      -8.0930      1.00000
     78      -8.0872      1.00000
     79      -7.9225      1.00000
     80      -7.8294      1.00000
     81      -7.5986      1.00000
     82      -7.5353      1.00000
     83      -7.4413      1.00000
     84      -7.3121      1.00000
     85      -6.9894      1.00000
     86      -6.9150      1.00000
     87      -6.8775      1.00000
     88      -6.5260      1.00000
     89      -6.5126      1.00000
     90      -6.4787      1.00000
     91      -6.4181      1.00000
     92      -5.9247      1.00000
     93      -5.9035      1.00000
     94      -5.7867      1.00000
     95      -5.7723      1.00000
     96      -5.3675      1.00000
     97      -5.3605      1.00000
     98      -5.2186      1.00000
     99      -5.2130      1.00000
    100      -5.1960      1.00000
    101      -4.7181      1.00000
    102      -4.4409      1.00000
    103      -4.1895      1.00000
    104      -3.8190      1.00000
    105      -3.5643      1.00000
    106      -3.2186      1.00000
    107      -2.5612      0.00000
    108      -1.4621      0.00000
    109      -1.2636      0.00000
    110      -1.1834      0.00000
    111      -1.1818      0.00000
    112      -0.6428      0.00000
    113      -0.5486      0.00000
    114      -0.4128      0.00000
    115      -0.3450      0.00000
    116      -0.0749      0.00000
    117      -0.0601      0.00000
    118       0.1283      0.00000
    119       0.5949      0.00000
    120       0.6281      0.00000
    121       0.8562      0.00000
    122       0.9861      0.00000
    123       1.0046      0.00000
    124       1.4939      0.00000
    125       1.6795      0.00000
    126       1.7545      0.00000
    127       1.8501      0.00000
    128       2.1005      0.00000
    129       2.1119      0.00000
    130       2.1790      0.00000
    131       2.2117      0.00000
    132       2.2525      0.00000
    133       2.3354      0.00000
    134       2.4943      0.00000
    135       2.4992      0.00000
    136       2.6548      0.00000
    137       2.8548      0.00000
    138       2.8603      0.00000
    139       2.9463      0.00000
    140       2.9505      0.00000
    141       3.0042      0.00000
    142       3.1340      0.00000
    143       3.1644      0.00000
    144       3.2098      0.00000
    145       3.2431      0.00000
    146       3.2772      0.00000
    147       3.3029      0.00000
    148       3.3536      0.00000
    149       3.4069      0.00000
    150       3.5378      0.00000
    151       3.5580      0.00000
    152       3.6405      0.00000
    153       3.6454      0.00000
    154       3.6756      0.00000
    155       3.6991      0.00000
    156       3.8968      0.00000
    157       3.9258      0.00000
    158       4.0210      0.00000
    159       4.0676      0.00000
    160       4.1710      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2811      1.00000
      2     -22.0764      1.00000
      3     -21.7181      1.00000
      4     -21.6788      1.00000
      5     -20.9805      1.00000
      6     -20.9328      1.00000
      7     -20.6089      1.00000
      8     -20.5769      1.00000
      9     -20.5633      1.00000
     10     -20.0298      1.00000
     11     -19.5114      1.00000
     12     -19.4806      1.00000
     13     -19.3094      1.00000
     14     -19.2956      1.00000
     15     -18.4471      1.00000
     16     -18.4040      1.00000
     17     -17.9253      1.00000
     18     -17.9043      1.00000
     19     -17.7634      1.00000
     20     -17.7183      1.00000
     21     -17.4393      1.00000
     22     -17.4202      1.00000
     23     -17.3357      1.00000
     24     -16.4679      1.00000
     25     -16.4584      1.00000
     26     -15.9671      1.00000
     27     -15.4087      1.00000
     28     -15.4075      1.00000
     29     -15.0933      1.00000
     30     -15.0907      1.00000
     31     -14.8511      1.00000
     32     -14.8379      1.00000
     33     -14.2948      1.00000
     34     -14.2504      1.00000
     35     -13.4412      1.00000
     36     -13.3967      1.00000
     37     -13.1730      1.00000
     38     -13.1708      1.00000
     39     -12.9826      1.00000
     40     -12.9733      1.00000
     41     -12.6086      1.00000
     42     -12.6057      1.00000
     43     -12.1932      1.00000
     44     -11.5773      1.00000
     45     -11.5362      1.00000
     46     -11.3111      1.00000
     47     -11.2809      1.00000
     48     -11.1383      1.00000
     49     -10.6902      1.00000
     50     -10.6598      1.00000
     51     -10.5451      1.00000
     52     -10.3190      1.00000
     53     -10.3111      1.00000
     54     -10.1736      1.00000
     55     -10.1182      1.00000
     56     -10.1056      1.00000
     57      -9.8090      1.00000
     58      -9.7490      1.00000
     59      -9.7489      1.00000
     60      -9.6984      1.00000
     61      -9.6951      1.00000
     62      -9.6446      1.00000
     63      -9.3489      1.00000
     64      -9.3478      1.00000
     65      -9.3157      1.00000
     66      -9.0258      1.00000
     67      -8.9582      1.00000
     68      -8.9549      1.00000
     69      -8.7732      1.00000
     70      -8.5897      1.00000
     71      -8.5863      1.00000
     72      -8.4217      1.00000
     73      -8.3474      1.00000
     74      -8.3198      1.00000
     75      -8.2996      1.00000
     76      -8.2628      1.00000
     77      -8.2522      1.00000
     78      -8.2368      1.00000
     79      -7.9195      1.00000
     80      -7.7319      1.00000
     81      -7.3757      1.00000
     82      -7.3451      1.00000
     83      -7.3213      1.00000
     84      -7.2130      1.00000
     85      -7.1576      1.00000
     86      -7.0631      1.00000
     87      -6.9580      1.00000
     88      -6.9031      1.00000
     89      -6.6118      1.00000
     90      -6.5519      1.00000
     91      -6.2695      1.00000
     92      -5.9943      1.00000
     93      -5.9575      1.00000
     94      -5.6729      1.00000
     95      -5.6461      1.00000
     96      -5.3852      1.00000
     97      -5.3133      1.00000
     98      -5.2918      1.00000
     99      -5.2095      1.00000
    100      -5.1978      1.00000
    101      -4.5101      1.00000
    102      -4.3376      1.00000
    103      -3.9938      1.00000
    104      -3.8840      1.00000
    105      -3.7912      1.00000
    106      -3.4417      1.00000
    107      -2.0341      0.00000
    108      -1.8610      0.00000
    109      -1.2159      0.00000
    110      -1.1804      0.00000
    111      -1.0340      0.00000
    112      -0.7704      0.00000
    113      -0.6746      0.00000
    114      -0.6579      0.00000
    115      -0.6065      0.00000
    116      -0.1000      0.00000
    117       0.2258      0.00000
    118       0.2423      0.00000
    119       0.7704      0.00000
    120       0.9849      0.00000
    121       1.0751      0.00000
    122       1.2432      0.00000
    123       1.2525      0.00000
    124       1.3413      0.00000
    125       1.5774      0.00000
    126       1.5863      0.00000
    127       1.6945      0.00000
    128       1.7845      0.00000
    129       1.9438      0.00000
    130       1.9509      0.00000
    131       2.0601      0.00000
    132       2.2734      0.00000
    133       2.3402      0.00000
    134       2.4134      0.00000
    135       2.5315      0.00000
    136       2.6206      0.00000
    137       2.7357      0.00000
    138       2.7925      0.00000
    139       2.8405      0.00000
    140       2.8436      0.00000
    141       3.0099      0.00000
    142       3.0966      0.00000
    143       3.1461      0.00000
    144       3.2025      0.00000
    145       3.3676      0.00000
    146       3.4075      0.00000
    147       3.4808      0.00000
    148       3.5115      0.00000
    149       3.5892      0.00000
    150       3.5912      0.00000
    151       3.6290      0.00000
    152       3.7307      0.00000
    153       3.7344      0.00000
    154       3.7528      0.00000
    155       3.7843      0.00000
    156       3.8634      0.00000
    157       4.0088      0.00000
    158       4.0776      0.00000
    159       4.1552      0.00000
    160       4.1957      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4242      1.00000
      2     -21.6010      1.00000
      3     -21.4793      1.00000
      4     -21.4701      1.00000
      5     -21.4385      1.00000
      6     -21.4378      1.00000
      7     -21.4275      1.00000
      8     -19.7053      1.00000
      9     -19.6501      1.00000
     10     -19.6267      1.00000
     11     -19.6162      1.00000
     12     -19.6110      1.00000
     13     -19.6092      1.00000
     14     -18.7879      1.00000
     15     -18.7519      1.00000
     16     -18.7320      1.00000
     17     -18.7226      1.00000
     18     -18.7153      1.00000
     19     -18.7109      1.00000
     20     -16.6318      1.00000
     21     -16.6063      1.00000
     22     -16.5822      1.00000
     23     -16.5787      1.00000
     24     -16.5515      1.00000
     25     -16.5500      1.00000
     26     -15.6115      1.00000
     27     -15.6006      1.00000
     28     -15.5966      1.00000
     29     -15.5617      1.00000
     30     -15.5603      1.00000
     31     -15.5579      1.00000
     32     -14.2567      1.00000
     33     -14.2473      1.00000
     34     -14.2384      1.00000
     35     -14.2335      1.00000
     36     -14.2190      1.00000
     37     -14.2167      1.00000
     38     -11.9032      1.00000
     39     -11.8764      1.00000
     40     -11.8661      1.00000
     41     -11.8616      1.00000
     42     -11.8413      1.00000
     43     -11.8412      1.00000
     44     -11.7680      1.00000
     45     -11.7659      1.00000
     46     -11.7320      1.00000
     47     -11.7257      1.00000
     48     -11.7226      1.00000
     49     -11.7193      1.00000
     50     -10.6743      1.00000
     51     -10.3850      1.00000
     52     -10.3813      1.00000
     53     -10.3739      1.00000
     54     -10.3650      1.00000
     55     -10.3533      1.00000
     56     -10.3505      1.00000
     57      -9.9022      1.00000
     58      -9.4486      1.00000
     59      -9.4033      1.00000
     60      -9.3603      1.00000
     61      -9.3597      1.00000
     62      -9.3518      1.00000
     63      -9.1390      1.00000
     64      -9.1203      1.00000
     65      -9.1178      1.00000
     66      -9.0826      1.00000
     67      -9.0684      1.00000
     68      -9.0674      1.00000
     69      -9.0660      1.00000
     70      -9.0616      1.00000
     71      -9.0613      1.00000
     72      -9.0348      1.00000
     73      -9.0248      1.00000
     74      -9.0234      1.00000
     75      -8.1283      1.00000
     76      -7.7443      1.00000
     77      -7.4670      1.00000
     78      -7.4630      1.00000
     79      -7.4502      1.00000
     80      -7.4314      1.00000
     81      -7.4213      1.00000
     82      -7.4022      1.00000
     83      -7.3101      1.00000
     84      -7.2691      1.00000
     85      -7.2553      1.00000
     86      -7.2463      1.00000
     87      -7.1484      1.00000
     88      -7.0466      1.00000
     89      -6.4442      1.00000
     90      -6.4132      1.00000
     91      -6.3977      1.00000
     92      -6.3612      1.00000
     93      -6.3509      1.00000
     94      -6.3383      1.00000
     95      -5.9570      1.00000
     96      -5.9533      1.00000
     97      -4.8045      1.00000
     98      -4.5424      1.00000
     99      -4.4792      1.00000
    100      -4.4725      1.00000
    101      -4.3801      1.00000
    102      -4.3793      1.00000
    103      -4.2654      1.00000
    104      -4.1859      1.00000
    105      -3.7376      1.00000
    106      -3.4763      1.00000
    107      -1.8617      0.00000
    108      -1.6679      0.00000
    109      -1.6210      0.00000
    110      -1.5887      0.00000
    111      -1.5733      0.00000
    112      -1.5724      0.00000
    113      -0.4277      0.00000
    114       0.1492      0.00000
    115       0.1934      0.00000
    116       0.2571      0.00000
    117       0.2703      0.00000
    118       0.2740      0.00000
    119       0.4795      0.00000
    120       0.5486      0.00000
    121       1.2445      0.00000
    122       1.2915      0.00000
    123       1.5245      0.00000
    124       1.7722      0.00000
    125       1.7743      0.00000
    126       1.7754      0.00000
    127       1.7787      0.00000
    128       1.8310      0.00000
    129       1.9598      0.00000
    130       1.9696      0.00000
    131       1.9776      0.00000
    132       1.9920      0.00000
    133       1.9989      0.00000
    134       2.0786      0.00000
    135       2.2466      0.00000
    136       2.3370      0.00000
    137       2.5992      0.00000
    138       2.6002      0.00000
    139       2.6270      0.00000
    140       2.6669      0.00000
    141       2.9284      0.00000
    142       3.0194      0.00000
    143       3.0360      0.00000
    144       3.0629      0.00000
    145       3.0651      0.00000
    146       3.0679      0.00000
    147       3.0793      0.00000
    148       3.2552      0.00000
    149       3.4292      0.00000
    150       3.4877      0.00000
    151       3.7975      0.00000
    152       3.8975      0.00000
    153       3.9002      0.00000
    154       3.9013      0.00000
    155       3.9355      0.00000
    156       3.9828      0.00000
    157       4.1721      0.00000
    158       4.2621      0.00000
    159       4.2650      0.00000
    160       4.2837      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3875      1.00000
      2     -21.8284      1.00000
      3     -21.6360      1.00000
      4     -21.6082      1.00000
      5     -21.2724      1.00000
      6     -21.2330      1.00000
      7     -21.0546      1.00000
      8     -20.1654      1.00000
      9     -20.1272      1.00000
     10     -19.6064      1.00000
     11     -19.5949      1.00000
     12     -19.4149      1.00000
     13     -19.0872      1.00000
     14     -19.0580      1.00000
     15     -19.0465      1.00000
     16     -19.0386      1.00000
     17     -18.3584      1.00000
     18     -18.3495      1.00000
     19     -18.0165      1.00000
     20     -17.0665      1.00000
     21     -17.0279      1.00000
     22     -16.9413      1.00000
     23     -16.9374      1.00000
     24     -16.4651      1.00000
     25     -16.4608      1.00000
     26     -15.6108      1.00000
     27     -15.6051      1.00000
     28     -15.2498      1.00000
     29     -15.2406      1.00000
     30     -15.1824      1.00000
     31     -15.0959      1.00000
     32     -15.0683      1.00000
     33     -14.6958      1.00000
     34     -14.6935      1.00000
     35     -13.7239      1.00000
     36     -13.7207      1.00000
     37     -13.2333      1.00000
     38     -12.6120      1.00000
     39     -12.5812      1.00000
     40     -12.4519      1.00000
     41     -12.4477      1.00000
     42     -12.1065      1.00000
     43     -12.1011      1.00000
     44     -11.7140      1.00000
     45     -11.6832      1.00000
     46     -11.2321      1.00000
     47     -11.2233      1.00000
     48     -11.0152      1.00000
     49     -11.0069      1.00000
     50     -10.9232      1.00000
     51     -10.9022      1.00000
     52     -10.6293      1.00000
     53     -10.1526      1.00000
     54     -10.1481      1.00000
     55     -10.0895      1.00000
     56      -9.9966      1.00000
     57      -9.6993      1.00000
     58      -9.6928      1.00000
     59      -9.6535      1.00000
     60      -9.5898      1.00000
     61      -9.5727      1.00000
     62      -9.5565      1.00000
     63      -9.3046      1.00000
     64      -9.3003      1.00000
     65      -9.2719      1.00000
     66      -9.2331      1.00000
     67      -9.1347      1.00000
     68      -9.1130      1.00000
     69      -9.1078      1.00000
     70      -8.9375      1.00000
     71      -8.8686      1.00000
     72      -8.6004      1.00000
     73      -8.5879      1.00000
     74      -8.2347      1.00000
     75      -8.0982      1.00000
     76      -7.9113      1.00000
     77      -7.8601      1.00000
     78      -7.7695      1.00000
     79      -7.7533      1.00000
     80      -7.6899      1.00000
     81      -7.5586      1.00000
     82      -7.3370      1.00000
     83      -7.3193      1.00000
     84      -7.2025      1.00000
     85      -7.1209      1.00000
     86      -7.0297      1.00000
     87      -7.0084      1.00000
     88      -6.7022      1.00000
     89      -6.6757      1.00000
     90      -6.6385      1.00000
     91      -6.5957      1.00000
     92      -6.1137      1.00000
     93      -6.0593      1.00000
     94      -6.0276      1.00000
     95      -6.0092      1.00000
     96      -5.7808      1.00000
     97      -4.9723      1.00000
     98      -4.8301      1.00000
     99      -4.7445      1.00000
    100      -4.6772      1.00000
    101      -4.4673      1.00000
    102      -4.2021      1.00000
    103      -4.1702      1.00000
    104      -4.1256      1.00000
    105      -3.7280      1.00000
    106      -3.4865      1.00000
    107      -1.8688      0.00000
    108      -1.8059      0.00000
    109      -1.5227      0.00000
    110      -1.3741      0.00000
    111      -1.3197      0.00000
    112      -1.2854      0.00000
    113      -0.7184      0.00000
    114      -0.3743      0.00000
    115      -0.2468      0.00000
    116       0.0387      0.00000
    117       0.5571      0.00000
    118       0.7012      0.00000
    119       0.7484      0.00000
    120       1.0497      0.00000
    121       1.1016      0.00000
    122       1.1506      0.00000
    123       1.2287      0.00000
    124       1.3763      0.00000
    125       1.5214      0.00000
    126       1.5758      0.00000
    127       1.7126      0.00000
    128       1.7970      0.00000
    129       1.8573      0.00000
    130       1.8836      0.00000
    131       2.0935      0.00000
    132       2.1838      0.00000
    133       2.2389      0.00000
    134       2.2970      0.00000
    135       2.5020      0.00000
    136       2.5765      0.00000
    137       2.6059      0.00000
    138       2.7535      0.00000
    139       2.7858      0.00000
    140       2.8239      0.00000
    141       2.8310      0.00000
    142       2.8825      0.00000
    143       2.9271      0.00000
    144       3.0674      0.00000
    145       3.1421      0.00000
    146       3.2930      0.00000
    147       3.3536      0.00000
    148       3.4044      0.00000
    149       3.4410      0.00000
    150       3.5780      0.00000
    151       3.6277      0.00000
    152       3.6303      0.00000
    153       3.6875      0.00000
    154       3.8785      0.00000
    155       3.9435      0.00000
    156       4.0048      0.00000
    157       4.0562      0.00000
    158       4.1953      0.00000
    159       4.2255      0.00000
    160       4.2645      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2815      1.00000
      2     -22.0758      1.00000
      3     -21.7144      1.00000
      4     -21.6827      1.00000
      5     -20.9772      1.00000
      6     -20.9366      1.00000
      7     -20.6096      1.00000
      8     -20.5728      1.00000
      9     -20.5668      1.00000
     10     -20.0303      1.00000
     11     -19.5012      1.00000
     12     -19.4891      1.00000
     13     -19.3046      1.00000
     14     -19.2989      1.00000
     15     -18.4453      1.00000
     16     -18.4085      1.00000
     17     -17.9200      1.00000
     18     -17.9102      1.00000
     19     -17.7591      1.00000
     20     -17.7234      1.00000
     21     -17.4335      1.00000
     22     -17.4258      1.00000
     23     -17.3382      1.00000
     24     -16.4601      1.00000
     25     -16.4591      1.00000
     26     -15.9647      1.00000
     27     -15.4111      1.00000
     28     -15.4065      1.00000
     29     -15.0936      1.00000
     30     -15.0906      1.00000
     31     -14.8524      1.00000
     32     -14.8441      1.00000
     33     -14.2882      1.00000
     34     -14.2547      1.00000
     35     -13.4345      1.00000
     36     -13.4013      1.00000
     37     -13.1748      1.00000
     38     -13.1707      1.00000
     39     -12.9795      1.00000
     40     -12.9743      1.00000
     41     -12.6104      1.00000
     42     -12.6063      1.00000
     43     -12.1953      1.00000
     44     -11.5732      1.00000
     45     -11.5396      1.00000
     46     -11.3073      1.00000
     47     -11.2847      1.00000
     48     -11.1395      1.00000
     49     -10.6728      1.00000
     50     -10.6583      1.00000
     51     -10.5512      1.00000
     52     -10.3213      1.00000
     53     -10.3144      1.00000
     54     -10.1672      1.00000
     55     -10.1127      1.00000
     56     -10.1093      1.00000
     57      -9.7960      1.00000
     58      -9.7629      1.00000
     59      -9.7488      1.00000
     60      -9.6966      1.00000
     61      -9.6948      1.00000
     62      -9.6600      1.00000
     63      -9.3523      1.00000
     64      -9.3479      1.00000
     65      -9.3119      1.00000
     66      -9.0389      1.00000
     67      -8.9600      1.00000
     68      -8.9459      1.00000
     69      -8.7975      1.00000
     70      -8.5915      1.00000
     71      -8.5554      1.00000
     72      -8.3962      1.00000
     73      -8.3628      1.00000
     74      -8.3210      1.00000
     75      -8.3042      1.00000
     76      -8.2552      1.00000
     77      -8.2540      1.00000
     78      -8.2326      1.00000
     79      -7.9027      1.00000
     80      -7.6492      1.00000
     81      -7.5474      1.00000
     82      -7.3846      1.00000
     83      -7.3463      1.00000
     84      -7.2286      1.00000
     85      -7.0944      1.00000
     86      -7.0361      1.00000
     87      -6.9318      1.00000
     88      -6.8458      1.00000
     89      -6.6086      1.00000
     90      -6.5565      1.00000
     91      -6.2657      1.00000
     92      -6.0415      1.00000
     93      -5.9493      1.00000
     94      -5.6603      1.00000
     95      -5.6206      1.00000
     96      -5.4608      1.00000
     97      -5.3175      1.00000
     98      -5.2764      1.00000
     99      -5.2112      1.00000
    100      -5.1918      1.00000
    101      -4.5072      1.00000
    102      -4.2065      1.00000
    103      -4.0576      1.00000
    104      -3.9868      1.00000
    105      -3.6927      1.00000
    106      -3.4968      1.00000
    107      -1.9436      0.00000
    108      -1.8939      0.00000
    109      -1.3377      0.00000
    110      -1.0830      0.00000
    111      -1.0549      0.00000
    112      -0.7986      0.00000
    113      -0.6744      0.00000
    114      -0.6451      0.00000
    115      -0.6047      0.00000
    116      -0.1065      0.00000
    117       0.2181      0.00000
    118       0.3310      0.00000
    119       0.6952      0.00000
    120       0.8890      0.00000
    121       1.1292      0.00000
    122       1.2014      0.00000
    123       1.3265      0.00000
    124       1.4197      0.00000
    125       1.5554      0.00000
    126       1.5776      0.00000
    127       1.6751      0.00000
    128       1.8011      0.00000
    129       1.8672      0.00000
    130       2.0456      0.00000
    131       2.1018      0.00000
    132       2.3107      0.00000
    133       2.3556      0.00000
    134       2.3911      0.00000
    135       2.5345      0.00000
    136       2.6232      0.00000
    137       2.7233      0.00000
    138       2.7277      0.00000
    139       2.7898      0.00000
    140       2.8594      0.00000
    141       3.0143      0.00000
    142       3.0520      0.00000
    143       3.1497      0.00000
    144       3.2532      0.00000
    145       3.3559      0.00000
    146       3.4043      0.00000
    147       3.4180      0.00000
    148       3.5411      0.00000
    149       3.5545      0.00000
    150       3.5861      0.00000
    151       3.6548      0.00000
    152       3.6665      0.00000
    153       3.7595      0.00000
    154       3.7740      0.00000
    155       3.7861      0.00000
    156       3.8790      0.00000
    157       3.9117      0.00000
    158       3.9816      0.00000
    159       4.1978      0.00000
    160       4.2107      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3155      1.00000
      2     -21.9607      1.00000
      3     -21.8915      1.00000
      4     -21.3787      1.00000
      5     -21.3495      1.00000
      6     -20.8375      1.00000
      7     -20.7722      1.00000
      8     -20.6219      1.00000
      9     -20.0751      1.00000
     10     -20.0697      1.00000
     11     -19.7146      1.00000
     12     -19.6900      1.00000
     13     -18.9939      1.00000
     14     -18.9884      1.00000
     15     -18.6381      1.00000
     16     -18.6223      1.00000
     17     -18.4598      1.00000
     18     -17.6728      1.00000
     19     -17.6224      1.00000
     20     -17.6197      1.00000
     21     -17.5777      1.00000
     22     -17.1241      1.00000
     23     -17.1023      1.00000
     24     -16.9596      1.00000
     25     -15.9994      1.00000
     26     -15.9261      1.00000
     27     -15.5833      1.00000
     28     -15.5832      1.00000
     29     -15.2835      1.00000
     30     -14.8619      1.00000
     31     -14.8344      1.00000
     32     -14.5765      1.00000
     33     -14.5345      1.00000
     34     -14.1652      1.00000
     35     -14.1519      1.00000
     36     -13.1461      1.00000
     37     -13.0984      1.00000
     38     -13.0272      1.00000
     39     -13.0168      1.00000
     40     -12.7065      1.00000
     41     -12.7026      1.00000
     42     -12.3386      1.00000
     43     -12.3074      1.00000
     44     -11.6325      1.00000
     45     -11.6188      1.00000
     46     -11.5682      1.00000
     47     -10.9461      1.00000
     48     -10.9132      1.00000
     49     -10.6304      1.00000
     50     -10.6224      1.00000
     51     -10.5453      1.00000
     52     -10.4964      1.00000
     53     -10.4963      1.00000
     54     -10.4379      1.00000
     55     -10.3584      1.00000
     56     -10.0976      1.00000
     57      -9.9015      1.00000
     58      -9.6068      1.00000
     59      -9.5541      1.00000
     60      -9.4499      1.00000
     61      -9.4087      1.00000
     62      -9.4023      1.00000
     63      -9.3751      1.00000
     64      -9.3750      1.00000
     65      -9.2854      1.00000
     66      -9.1649      1.00000
     67      -9.1394      1.00000
     68      -9.1103      1.00000
     69      -8.8612      1.00000
     70      -8.8537      1.00000
     71      -8.8131      1.00000
     72      -8.5948      1.00000
     73      -8.4780      1.00000
     74      -8.1951      1.00000
     75      -8.1598      1.00000
     76      -8.0068      1.00000
     77      -7.9622      1.00000
     78      -7.8491      1.00000
     79      -7.8382      1.00000
     80      -7.7014      1.00000
     81      -7.6942      1.00000
     82      -7.6200      1.00000
     83      -7.4465      1.00000
     84      -7.2984      1.00000
     85      -7.2511      1.00000
     86      -6.9029      1.00000
     87      -6.8892      1.00000
     88      -6.5863      1.00000
     89      -6.5490      1.00000
     90      -6.4049      1.00000
     91      -6.2515      1.00000
     92      -6.2307      1.00000
     93      -6.2005      1.00000
     94      -6.0206      1.00000
     95      -5.5474      1.00000
     96      -5.4865      1.00000
     97      -5.3480      1.00000
     98      -5.2171      1.00000
     99      -4.9776      1.00000
    100      -4.7307      1.00000
    101      -4.6758      1.00000
    102      -4.3857      1.00000
    103      -4.2018      1.00000
    104      -3.8694      1.00000
    105      -3.5448      1.00000
    106      -3.5089      1.00000
    107      -2.2530      0.00000
    108      -1.4557      0.00000
    109      -1.3677      0.00000
    110      -1.2391      0.00000
    111      -1.0958      0.00000
    112      -0.9433      0.00000
    113      -0.8619      0.00000
    114      -0.8015      0.00000
    115      -0.1380      0.00000
    116       0.1147      0.00000
    117       0.2435      0.00000
    118       0.3799      0.00000
    119       0.6526      0.00000
    120       0.8378      0.00000
    121       0.9388      0.00000
    122       1.0648      0.00000
    123       1.2340      0.00000
    124       1.4468      0.00000
    125       1.5434      0.00000
    126       1.7680      0.00000
    127       1.7893      0.00000
    128       1.8573      0.00000
    129       1.9635      0.00000
    130       2.0360      0.00000
    131       2.1713      0.00000
    132       2.1833      0.00000
    133       2.4032      0.00000
    134       2.4261      0.00000
    135       2.5105      0.00000
    136       2.6067      0.00000
    137       2.6370      0.00000
    138       2.6953      0.00000
    139       2.7425      0.00000
    140       2.8243      0.00000
    141       2.9412      0.00000
    142       3.0578      0.00000
    143       3.1821      0.00000
    144       3.1899      0.00000
    145       3.2282      0.00000
    146       3.2715      0.00000
    147       3.3067      0.00000
    148       3.4507      0.00000
    149       3.4929      0.00000
    150       3.6950      0.00000
    151       3.7059      0.00000
    152       3.7196      0.00000
    153       3.8548      0.00000
    154       3.8930      0.00000
    155       3.9165      0.00000
    156       3.9705      0.00000
    157       3.9913      0.00000
    158       4.0209      0.00000
    159       4.0288      0.00000
    160       4.0336      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2085      1.00000
      2     -22.1154      1.00000
      3     -21.9547      1.00000
      4     -21.4023      1.00000
      5     -21.0477      1.00000
      6     -21.0117      1.00000
      7     -20.4986      1.00000
      8     -20.4590      1.00000
      9     -20.2926      1.00000
     10     -20.2735      1.00000
     11     -19.9553      1.00000
     12     -19.8895      1.00000
     13     -18.8802      1.00000
     14     -18.8114      1.00000
     15     -18.3506      1.00000
     16     -18.3043      1.00000
     17     -18.1506      1.00000
     18     -18.1335      1.00000
     19     -17.8243      1.00000
     20     -17.7868      1.00000
     21     -17.2492      1.00000
     22     -17.2393      1.00000
     23     -17.1621      1.00000
     24     -17.1305      1.00000
     25     -16.1080      1.00000
     26     -15.8827      1.00000
     27     -15.8679      1.00000
     28     -15.8314      1.00000
     29     -15.2337      1.00000
     30     -14.5525      1.00000
     31     -14.5245      1.00000
     32     -14.2773      1.00000
     33     -13.9616      1.00000
     34     -13.9540      1.00000
     35     -13.8179      1.00000
     36     -13.8021      1.00000
     37     -13.6118      1.00000
     38     -13.5681      1.00000
     39     -13.3676      1.00000
     40     -12.6323      1.00000
     41     -12.1781      1.00000
     42     -12.1302      1.00000
     43     -12.0691      1.00000
     44     -12.0169      1.00000
     45     -11.6674      1.00000
     46     -11.6538      1.00000
     47     -11.1360      1.00000
     48     -11.1156      1.00000
     49     -10.7915      1.00000
     50     -10.7280      1.00000
     51     -10.5273      1.00000
     52     -10.2069      1.00000
     53     -10.2025      1.00000
     54     -10.1627      1.00000
     55     -10.0155      1.00000
     56     -10.0022      1.00000
     57      -9.9881      1.00000
     58      -9.7988      1.00000
     59      -9.7950      1.00000
     60      -9.7597      1.00000
     61      -9.7547      1.00000
     62      -9.4513      1.00000
     63      -9.4154      1.00000
     64      -9.0783      1.00000
     65      -9.0702      1.00000
     66      -9.0381      1.00000
     67      -8.9520      1.00000
     68      -8.8752      1.00000
     69      -8.7096      1.00000
     70      -8.6972      1.00000
     71      -8.5626      1.00000
     72      -8.5396      1.00000
     73      -8.4969      1.00000
     74      -8.4605      1.00000
     75      -8.4498      1.00000
     76      -8.2583      1.00000
     77      -8.1233      1.00000
     78      -8.0413      1.00000
     79      -7.9134      1.00000
     80      -7.8612      1.00000
     81      -7.6127      1.00000
     82      -7.5456      1.00000
     83      -7.4873      1.00000
     84      -7.2658      1.00000
     85      -6.9932      1.00000
     86      -6.9205      1.00000
     87      -6.8799      1.00000
     88      -6.5287      1.00000
     89      -6.4835      1.00000
     90      -6.4588      1.00000
     91      -6.4080      1.00000
     92      -5.9816      1.00000
     93      -5.8952      1.00000
     94      -5.7820      1.00000
     95      -5.7575      1.00000
     96      -5.4297      1.00000
     97      -5.3272      1.00000
     98      -5.2275      1.00000
     99      -5.2151      1.00000
    100      -5.1865      1.00000
    101      -4.6903      1.00000
    102      -4.4199      1.00000
    103      -4.2083      1.00000
    104      -3.8326      1.00000
    105      -3.5281      1.00000
    106      -3.2722      1.00000
    107      -2.5284      0.00000
    108      -1.4570      0.00000
    109      -1.2636      0.00000
    110      -1.2007      0.00000
    111      -1.1698      0.00000
    112      -0.7183      0.00000
    113      -0.5012      0.00000
    114      -0.4099      0.00000
    115      -0.3365      0.00000
    116      -0.1440      0.00000
    117      -0.0007      0.00000
    118       0.1959      0.00000
    119       0.5641      0.00000
    120       0.6148      0.00000
    121       0.7973      0.00000
    122       0.9080      0.00000
    123       1.1332      0.00000
    124       1.4901      0.00000
    125       1.6312      0.00000
    126       1.8412      0.00000
    127       1.9199      0.00000
    128       2.0980      0.00000
    129       2.1106      0.00000
    130       2.1183      0.00000
    131       2.1757      0.00000
    132       2.2820      0.00000
    133       2.3190      0.00000
    134       2.4613      0.00000
    135       2.5744      0.00000
    136       2.6496      0.00000
    137       2.8495      0.00000
    138       2.8715      0.00000
    139       2.8911      0.00000
    140       2.9646      0.00000
    141       2.9907      0.00000
    142       3.1367      0.00000
    143       3.1516      0.00000
    144       3.2007      0.00000
    145       3.2632      0.00000
    146       3.2831      0.00000
    147       3.3009      0.00000
    148       3.3455      0.00000
    149       3.4163      0.00000
    150       3.4335      0.00000
    151       3.5390      0.00000
    152       3.6069      0.00000
    153       3.6763      0.00000
    154       3.7023      0.00000
    155       3.7679      0.00000
    156       3.8931      0.00000
    157       3.9081      0.00000
    158       3.9917      0.00000
    159       4.1217      0.00000
    160       4.2068      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3153      1.00000
      2     -21.9623      1.00000
      3     -21.8900      1.00000
      4     -21.3825      1.00000
      5     -21.3460      1.00000
      6     -20.8373      1.00000
      7     -20.7708      1.00000
      8     -20.6227      1.00000
      9     -20.0873      1.00000
     10     -20.0586      1.00000
     11     -19.7162      1.00000
     12     -19.6873      1.00000
     13     -19.0075      1.00000
     14     -18.9764      1.00000
     15     -18.6473      1.00000
     16     -18.6147      1.00000
     17     -18.4582      1.00000
     18     -17.6582      1.00000
     19     -17.6441      1.00000
     20     -17.6080      1.00000
     21     -17.5754      1.00000
     22     -17.1347      1.00000
     23     -17.0948      1.00000
     24     -16.9631      1.00000
     25     -16.0054      1.00000
     26     -15.9210      1.00000
     27     -15.5961      1.00000
     28     -15.5727      1.00000
     29     -15.2774      1.00000
     30     -14.8740      1.00000
     31     -14.8270      1.00000
     32     -14.5718      1.00000
     33     -14.5342      1.00000
     34     -14.1615      1.00000
     35     -14.1573      1.00000
     36     -13.1594      1.00000
     37     -13.0930      1.00000
     38     -13.0201      1.00000
     39     -13.0157      1.00000
     40     -12.7150      1.00000
     41     -12.6918      1.00000
     42     -12.3381      1.00000
     43     -12.3108      1.00000
     44     -11.6290      1.00000
     45     -11.6199      1.00000
     46     -11.5677      1.00000
     47     -10.9382      1.00000
     48     -10.9202      1.00000
     49     -10.6665      1.00000
     50     -10.5866      1.00000
     51     -10.5707      1.00000
     52     -10.4985      1.00000
     53     -10.4860      1.00000
     54     -10.4357      1.00000
     55     -10.3529      1.00000
     56     -10.1019      1.00000
     57      -9.8958      1.00000
     58      -9.6053      1.00000
     59      -9.5481      1.00000
     60      -9.4520      1.00000
     61      -9.4158      1.00000
     62      -9.4063      1.00000
     63      -9.3763      1.00000
     64      -9.3688      1.00000
     65      -9.2654      1.00000
     66      -9.1627      1.00000
     67      -9.1384      1.00000
     68      -9.1134      1.00000
     69      -8.8633      1.00000
     70      -8.8572      1.00000
     71      -8.8004      1.00000
     72      -8.5944      1.00000
     73      -8.5247      1.00000
     74      -8.1904      1.00000
     75      -8.1677      1.00000
     76      -8.0739      1.00000
     77      -7.8543      1.00000
     78      -7.8342      1.00000
     79      -7.8208      1.00000
     80      -7.7075      1.00000
     81      -7.6928      1.00000
     82      -7.5952      1.00000
     83      -7.5280      1.00000
     84      -7.3481      1.00000
     85      -7.1655      1.00000
     86      -6.9025      1.00000
     87      -6.8923      1.00000
     88      -6.5902      1.00000
     89      -6.5492      1.00000
     90      -6.4021      1.00000
     91      -6.2998      1.00000
     92      -6.2451      1.00000
     93      -6.1986      1.00000
     94      -6.0019      1.00000
     95      -5.5295      1.00000
     96      -5.4633      1.00000
     97      -5.3118      1.00000
     98      -5.2073      1.00000
     99      -5.0445      1.00000
    100      -4.7212      1.00000
    101      -4.6696      1.00000
    102      -4.4223      1.00000
    103      -4.1934      1.00000
    104      -3.8413      1.00000
    105      -3.6328      1.00000
    106      -3.4143      1.00000
    107      -2.2909      0.00000
    108      -1.5081      0.00000
    109      -1.2677      0.00000
    110      -1.2600      0.00000
    111      -1.0322      0.00000
    112      -0.9743      0.00000
    113      -0.8657      0.00000
    114      -0.7971      0.00000
    115      -0.2603      0.00000
    116       0.2063      0.00000
    117       0.2419      0.00000
    118       0.3621      0.00000
    119       0.6920      0.00000
    120       0.8967      0.00000
    121       0.9256      0.00000
    122       1.0416      0.00000
    123       1.1678      0.00000
    124       1.5092      0.00000
    125       1.5526      0.00000
    126       1.7046      0.00000
    127       1.7796      0.00000
    128       1.8274      0.00000
    129       1.9515      0.00000
    130       1.9766      0.00000
    131       2.1728      0.00000
    132       2.2528      0.00000
    133       2.4097      0.00000
    134       2.4321      0.00000
    135       2.5080      0.00000
    136       2.6012      0.00000
    137       2.6205      0.00000
    138       2.6980      0.00000
    139       2.7244      0.00000
    140       2.8504      0.00000
    141       3.0317      0.00000
    142       3.0573      0.00000
    143       3.1691      0.00000
    144       3.2153      0.00000
    145       3.2287      0.00000
    146       3.2712      0.00000
    147       3.3149      0.00000
    148       3.4375      0.00000
    149       3.5126      0.00000
    150       3.6900      0.00000
    151       3.7185      0.00000
    152       3.7353      0.00000
    153       3.8221      0.00000
    154       3.8675      0.00000
    155       3.9110      0.00000
    156       3.9624      0.00000
    157       3.9970      0.00000
    158       4.0108      0.00000
    159       4.0208      0.00000
    160       4.0752      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3874      1.00000
      2     -21.8286      1.00000
      3     -21.6392      1.00000
      4     -21.6043      1.00000
      5     -21.2766      1.00000
      6     -21.2296      1.00000
      7     -21.0542      1.00000
      8     -20.1692      1.00000
      9     -20.1230      1.00000
     10     -19.6151      1.00000
     11     -19.5881      1.00000
     12     -19.4132      1.00000
     13     -19.0924      1.00000
     14     -19.0537      1.00000
     15     -19.0492      1.00000
     16     -19.0359      1.00000
     17     -18.3647      1.00000
     18     -18.3442      1.00000
     19     -18.0141      1.00000
     20     -17.0698      1.00000
     21     -17.0210      1.00000
     22     -16.9471      1.00000
     23     -16.9329      1.00000
     24     -16.4718      1.00000
     25     -16.4605      1.00000
     26     -15.6072      1.00000
     27     -15.6067      1.00000
     28     -15.2479      1.00000
     29     -15.2349      1.00000
     30     -15.1883      1.00000
     31     -15.0985      1.00000
     32     -15.0648      1.00000
     33     -14.6962      1.00000
     34     -14.6946      1.00000
     35     -13.7228      1.00000
     36     -13.7221      1.00000
     37     -13.2318      1.00000
     38     -12.6213      1.00000
     39     -12.5763      1.00000
     40     -12.4518      1.00000
     41     -12.4460      1.00000
     42     -12.1032      1.00000
     43     -12.0973      1.00000
     44     -11.7194      1.00000
     45     -11.6808      1.00000
     46     -11.2427      1.00000
     47     -11.2212      1.00000
     48     -11.0145      1.00000
     49     -11.0025      1.00000
     50     -10.9253      1.00000
     51     -10.8968      1.00000
     52     -10.6353      1.00000
     53     -10.1688      1.00000
     54     -10.1460      1.00000
     55     -10.0807      1.00000
     56      -9.9901      1.00000
     57      -9.6933      1.00000
     58      -9.6872      1.00000
     59      -9.6683      1.00000
     60      -9.5885      1.00000
     61      -9.5651      1.00000
     62      -9.5515      1.00000
     63      -9.3097      1.00000
     64      -9.2966      1.00000
     65      -9.2808      1.00000
     66      -9.2407      1.00000
     67      -9.1199      1.00000
     68      -9.1088      1.00000
     69      -9.1076      1.00000
     70      -8.9375      1.00000
     71      -8.8732      1.00000
     72      -8.6021      1.00000
     73      -8.5843      1.00000
     74      -8.2692      1.00000
     75      -8.0971      1.00000
     76      -7.8656      1.00000
     77      -7.8414      1.00000
     78      -7.7885      1.00000
     79      -7.7618      1.00000
     80      -7.7517      1.00000
     81      -7.4453      1.00000
     82      -7.3312      1.00000
     83      -7.3186      1.00000
     84      -7.2635      1.00000
     85      -7.1605      1.00000
     86      -7.0131      1.00000
     87      -6.9841      1.00000
     88      -6.7151      1.00000
     89      -6.6885      1.00000
     90      -6.6295      1.00000
     91      -6.5882      1.00000
     92      -6.1129      1.00000
     93      -6.0568      1.00000
     94      -6.0422      1.00000
     95      -6.0266      1.00000
     96      -5.7460      1.00000
     97      -4.9726      1.00000
     98      -4.8372      1.00000
     99      -4.7067      1.00000
    100      -4.6717      1.00000
    101      -4.4819      1.00000
    102      -4.3509      1.00000
    103      -4.1093      1.00000
    104      -4.0537      1.00000
    105      -3.7533      1.00000
    106      -3.4640      1.00000
    107      -1.9502      0.00000
    108      -1.7688      0.00000
    109      -1.4778      0.00000
    110      -1.3532      0.00000
    111      -1.3331      0.00000
    112      -1.2891      0.00000
    113      -0.6755      0.00000
    114      -0.4700      0.00000
    115      -0.2340      0.00000
    116       0.0535      0.00000
    117       0.5884      0.00000
    118       0.6938      0.00000
    119       0.7722      0.00000
    120       1.0254      0.00000
    121       1.0998      0.00000
    122       1.1776      0.00000
    123       1.2516      0.00000
    124       1.3346      0.00000
    125       1.4319      0.00000
    126       1.5900      0.00000
    127       1.7455      0.00000
    128       1.8434      0.00000
    129       1.8596      0.00000
    130       1.8883      0.00000
    131       2.0403      0.00000
    132       2.2148      0.00000
    133       2.2284      0.00000
    134       2.2761      0.00000
    135       2.4706      0.00000
    136       2.5866      0.00000
    137       2.6264      0.00000
    138       2.7443      0.00000
    139       2.7547      0.00000
    140       2.8366      0.00000
    141       2.8425      0.00000
    142       2.8426      0.00000
    143       2.9265      0.00000
    144       3.0734      0.00000
    145       3.2920      0.00000
    146       3.3392      0.00000
    147       3.3756      0.00000
    148       3.3940      0.00000
    149       3.4013      0.00000
    150       3.5542      0.00000
    151       3.6160      0.00000
    152       3.6424      0.00000
    153       3.7143      0.00000
    154       3.8817      0.00000
    155       3.9047      0.00000
    156       3.9372      0.00000
    157       4.0955      0.00000
    158       4.1857      0.00000
    159       4.2108      0.00000
    160       4.2659      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2076      1.00000
      2     -22.1167      1.00000
      3     -21.9544      1.00000
      4     -21.4024      1.00000
      5     -21.0438      1.00000
      6     -21.0155      1.00000
      7     -20.4936      1.00000
      8     -20.4638      1.00000
      9     -20.2838      1.00000
     10     -20.2819      1.00000
     11     -19.9543      1.00000
     12     -19.8912      1.00000
     13     -18.8810      1.00000
     14     -18.8133      1.00000
     15     -18.3354      1.00000
     16     -18.3158      1.00000
     17     -18.1466      1.00000
     18     -18.1389      1.00000
     19     -17.8133      1.00000
     20     -17.7949      1.00000
     21     -17.2553      1.00000
     22     -17.2359      1.00000
     23     -17.1577      1.00000
     24     -17.1329      1.00000
     25     -16.1131      1.00000
     26     -15.8783      1.00000
     27     -15.8672      1.00000
     28     -15.8374      1.00000
     29     -15.2285      1.00000
     30     -14.5484      1.00000
     31     -14.5301      1.00000
     32     -14.2732      1.00000
     33     -13.9718      1.00000
     34     -13.9480      1.00000
     35     -13.8212      1.00000
     36     -13.7993      1.00000
     37     -13.6016      1.00000
     38     -13.5761      1.00000
     39     -13.3673      1.00000
     40     -12.6354      1.00000
     41     -12.1665      1.00000
     42     -12.1398      1.00000
     43     -12.0658      1.00000
     44     -12.0188      1.00000
     45     -11.6612      1.00000
     46     -11.6567      1.00000
     47     -11.1339      1.00000
     48     -11.1231      1.00000
     49     -10.7883      1.00000
     50     -10.7319      1.00000
     51     -10.5340      1.00000
     52     -10.2049      1.00000
     53     -10.1990      1.00000
     54     -10.1684      1.00000
     55     -10.0196      1.00000
     56      -9.9919      1.00000
     57      -9.9867      1.00000
     58      -9.8018      1.00000
     59      -9.7926      1.00000
     60      -9.7610      1.00000
     61      -9.7537      1.00000
     62      -9.4522      1.00000
     63      -9.4153      1.00000
     64      -9.0815      1.00000
     65      -9.0424      1.00000
     66      -9.0232      1.00000
     67      -8.9679      1.00000
     68      -8.8958      1.00000
     69      -8.7046      1.00000
     70      -8.6958      1.00000
     71      -8.5578      1.00000
     72      -8.5472      1.00000
     73      -8.4756      1.00000
     74      -8.4567      1.00000
     75      -8.4541      1.00000
     76      -8.3066      1.00000
     77      -8.0929      1.00000
     78      -8.0872      1.00000
     79      -7.9225      1.00000
     80      -7.8294      1.00000
     81      -7.5986      1.00000
     82      -7.5353      1.00000
     83      -7.4413      1.00000
     84      -7.3121      1.00000
     85      -6.9894      1.00000
     86      -6.9150      1.00000
     87      -6.8775      1.00000
     88      -6.5260      1.00000
     89      -6.5126      1.00000
     90      -6.4787      1.00000
     91      -6.4181      1.00000
     92      -5.9247      1.00000
     93      -5.9035      1.00000
     94      -5.7867      1.00000
     95      -5.7723      1.00000
     96      -5.3675      1.00000
     97      -5.3605      1.00000
     98      -5.2186      1.00000
     99      -5.2130      1.00000
    100      -5.1960      1.00000
    101      -4.7181      1.00000
    102      -4.4409      1.00000
    103      -4.1895      1.00000
    104      -3.8190      1.00000
    105      -3.5643      1.00000
    106      -3.2186      1.00000
    107      -2.5612      0.00000
    108      -1.4621      0.00000
    109      -1.2636      0.00000
    110      -1.1834      0.00000
    111      -1.1818      0.00000
    112      -0.6428      0.00000
    113      -0.5486      0.00000
    114      -0.4128      0.00000
    115      -0.3450      0.00000
    116      -0.0749      0.00000
    117      -0.0601      0.00000
    118       0.1283      0.00000
    119       0.5949      0.00000
    120       0.6281      0.00000
    121       0.8562      0.00000
    122       0.9861      0.00000
    123       1.0047      0.00000
    124       1.4940      0.00000
    125       1.6795      0.00000
    126       1.7545      0.00000
    127       1.8501      0.00000
    128       2.1006      0.00000
    129       2.1120      0.00000
    130       2.1791      0.00000
    131       2.2117      0.00000
    132       2.2525      0.00000
    133       2.3355      0.00000
    134       2.4943      0.00000
    135       2.4993      0.00000
    136       2.6548      0.00000
    137       2.8548      0.00000
    138       2.8603      0.00000
    139       2.9463      0.00000
    140       2.9505      0.00000
    141       3.0042      0.00000
    142       3.1340      0.00000
    143       3.1646      0.00000
    144       3.2098      0.00000
    145       3.2431      0.00000
    146       3.2772      0.00000
    147       3.3029      0.00000
    148       3.3536      0.00000
    149       3.4069      0.00000
    150       3.5378      0.00000
    151       3.5580      0.00000
    152       3.6406      0.00000
    153       3.6454      0.00000
    154       3.6757      0.00000
    155       3.6992      0.00000
    156       3.8968      0.00000
    157       3.9259      0.00000
    158       4.0211      0.00000
    159       4.0677      0.00000
    160       4.1711      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2811      1.00000
      2     -22.0764      1.00000
      3     -21.7181      1.00000
      4     -21.6788      1.00000
      5     -20.9805      1.00000
      6     -20.9328      1.00000
      7     -20.6089      1.00000
      8     -20.5769      1.00000
      9     -20.5633      1.00000
     10     -20.0298      1.00000
     11     -19.5114      1.00000
     12     -19.4806      1.00000
     13     -19.3094      1.00000
     14     -19.2956      1.00000
     15     -18.4471      1.00000
     16     -18.4040      1.00000
     17     -17.9253      1.00000
     18     -17.9043      1.00000
     19     -17.7634      1.00000
     20     -17.7183      1.00000
     21     -17.4393      1.00000
     22     -17.4202      1.00000
     23     -17.3357      1.00000
     24     -16.4679      1.00000
     25     -16.4584      1.00000
     26     -15.9671      1.00000
     27     -15.4087      1.00000
     28     -15.4075      1.00000
     29     -15.0933      1.00000
     30     -15.0907      1.00000
     31     -14.8511      1.00000
     32     -14.8379      1.00000
     33     -14.2948      1.00000
     34     -14.2504      1.00000
     35     -13.4412      1.00000
     36     -13.3967      1.00000
     37     -13.1730      1.00000
     38     -13.1708      1.00000
     39     -12.9826      1.00000
     40     -12.9733      1.00000
     41     -12.6086      1.00000
     42     -12.6057      1.00000
     43     -12.1932      1.00000
     44     -11.5773      1.00000
     45     -11.5362      1.00000
     46     -11.3111      1.00000
     47     -11.2809      1.00000
     48     -11.1383      1.00000
     49     -10.6902      1.00000
     50     -10.6598      1.00000
     51     -10.5451      1.00000
     52     -10.3190      1.00000
     53     -10.3111      1.00000
     54     -10.1736      1.00000
     55     -10.1182      1.00000
     56     -10.1056      1.00000
     57      -9.8090      1.00000
     58      -9.7490      1.00000
     59      -9.7489      1.00000
     60      -9.6984      1.00000
     61      -9.6951      1.00000
     62      -9.6446      1.00000
     63      -9.3489      1.00000
     64      -9.3478      1.00000
     65      -9.3157      1.00000
     66      -9.0258      1.00000
     67      -8.9582      1.00000
     68      -8.9549      1.00000
     69      -8.7732      1.00000
     70      -8.5897      1.00000
     71      -8.5863      1.00000
     72      -8.4217      1.00000
     73      -8.3474      1.00000
     74      -8.3198      1.00000
     75      -8.2996      1.00000
     76      -8.2628      1.00000
     77      -8.2522      1.00000
     78      -8.2368      1.00000
     79      -7.9195      1.00000
     80      -7.7319      1.00000
     81      -7.3757      1.00000
     82      -7.3451      1.00000
     83      -7.3213      1.00000
     84      -7.2130      1.00000
     85      -7.1576      1.00000
     86      -7.0631      1.00000
     87      -6.9580      1.00000
     88      -6.9031      1.00000
     89      -6.6118      1.00000
     90      -6.5519      1.00000
     91      -6.2695      1.00000
     92      -5.9943      1.00000
     93      -5.9575      1.00000
     94      -5.6729      1.00000
     95      -5.6461      1.00000
     96      -5.3852      1.00000
     97      -5.3133      1.00000
     98      -5.2918      1.00000
     99      -5.2095      1.00000
    100      -5.1978      1.00000
    101      -4.5101      1.00000
    102      -4.3376      1.00000
    103      -3.9938      1.00000
    104      -3.8840      1.00000
    105      -3.7912      1.00000
    106      -3.4417      1.00000
    107      -2.0341      0.00000
    108      -1.8610      0.00000
    109      -1.2159      0.00000
    110      -1.1804      0.00000
    111      -1.0340      0.00000
    112      -0.7704      0.00000
    113      -0.6746      0.00000
    114      -0.6579      0.00000
    115      -0.6065      0.00000
    116      -0.0999      0.00000
    117       0.2258      0.00000
    118       0.2423      0.00000
    119       0.7704      0.00000
    120       0.9849      0.00000
    121       1.0752      0.00000
    122       1.2432      0.00000
    123       1.2525      0.00000
    124       1.3413      0.00000
    125       1.5774      0.00000
    126       1.5863      0.00000
    127       1.6946      0.00000
    128       1.7846      0.00000
    129       1.9439      0.00000
    130       1.9509      0.00000
    131       2.0602      0.00000
    132       2.2735      0.00000
    133       2.3402      0.00000
    134       2.4134      0.00000
    135       2.5315      0.00000
    136       2.6206      0.00000
    137       2.7360      0.00000
    138       2.7926      0.00000
    139       2.8405      0.00000
    140       2.8436      0.00000
    141       3.0099      0.00000
    142       3.0967      0.00000
    143       3.1461      0.00000
    144       3.2026      0.00000
    145       3.3677      0.00000
    146       3.4076      0.00000
    147       3.4808      0.00000
    148       3.5115      0.00000
    149       3.5892      0.00000
    150       3.5912      0.00000
    151       3.6290      0.00000
    152       3.7307      0.00000
    153       3.7344      0.00000
    154       3.7529      0.00000
    155       3.7845      0.00000
    156       3.8634      0.00000
    157       4.0090      0.00000
    158       4.0776      0.00000
    159       4.1552      0.00000
    160       4.1957      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0419   -7.3902    4.1988   -1.2757   -0.2386   17.5915    0.1480   -0.5327    0.6340   -0.4649
x    -3.0923   -0.0374   -0.0631    0.0616   -0.0091   -2.9772   -0.0110   -0.0070    0.0049    0.0016
x    -0.0964    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0419    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0942   -0.0088    0.0374    0.0376
y    -0.0457   -3.2478   -0.5377   -0.1639   -1.1791   -0.6053
z   204.0419    1.1243   -0.2802    0.0407    0.0090    0.0617    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0777    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1612
z    -0.2835    0.1870   -0.0387    0.0471   -0.1052    0.0013
 total charge-density along one line
x   212.0000  -10.2202    6.1465   -2.0854   -0.4743   19.5074   -0.9952    0.4739   -0.0446   -0.1262
x    -2.6455   -0.0277   -0.0609    0.0845   -0.0532   -2.2246   -0.0249   -0.0026    0.0052    0.0021
x    -0.0895    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2202    6.1465   -2.0854   -0.4743   19.5074   -0.9952    0.4739   -0.0446   -0.1262
y    -2.6455   -0.0277   -0.0609    0.0845   -0.0532   -2.2246   -0.0249   -0.0026    0.0052    0.0021
y    -0.0895    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4946  189.2986 -170.3754  153.6541 -139.4349  125.4275 -110.1141   93.9702  -78.3598
z    64.1532  -51.5019   40.4361  -31.2288   24.1305  -18.9467   15.0334  -11.7214    8.7180   -6.1238
z     4.1334   -2.7612    1.8235   -1.1126    0.5411   -0.1280   -0.1105    0.2272   -0.3087    0.3995
z    -0.4763    0.4932   -0.4400    0.3550   -0.2861    0.2512   -0.2334    0.2087   -0.1709    0.1317
z    -0.1037    0.0880   -0.0768    0.0637   -0.0491    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.840   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.840   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.004   0.000   0.000   0.002   0.000
 -0.004   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.004   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.024   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.052   0.000   0.302   0.000   0.028  -0.191  -0.030   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.052   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.158   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.415   0.000   0.077   0.585  -0.239   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.379   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.024   0.000   0.028   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.368  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.239   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.264   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.262   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.647
  8        0.864   1.783   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.649
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.645
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.645
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.649
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.647
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.868  89.430   8.029 142.327
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time   89.88: CPU time   45.27
    FORLOC:  VPU time    1.09: CPU time    1.09
    FORNL :  VPU time  361.70: CPU time  181.09
    STRESS:  VPU time 1086.92: CPU time  546.12
    FORCOR:  VPU time    7.42: CPU time    7.42
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.14: CPU time    0.14
 d Force = 0.1559231E-04[ 0.118E-04, 0.194E-04]  d Energy = 0.6141330E-04-0.458E-04
 d Force =-0.2358509E+00[-0.236E+00,-0.236E+00]  d Ewald  = 0.6864002E+01-0.710E+01


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726370 eV

  energy  without entropy=     -471.726370  energy(sigma->0) =     -471.726370
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40846.73  40801.93 -47545.78    -38.81      0.00      0.00
  Hartree  40270.87  40251.86 -39529.66    -16.47      0.00      0.00
  E(xc)     -779.46   -779.75   -807.40     -0.25      0.00      0.00
  Local   -83401.64 -83346.70  84390.07     47.59      0.00      0.00
  n-local   -216.83   -215.70   -203.37      0.71      0.00      0.00
  augment     20.05     22.05     17.81      1.72      0.00      0.00
  Kinetic   3162.56   3176.13   3583.87      3.41      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.06      0.01     -0.52      0.06      0.00      0.00
  in kB       -0.03      0.01     -0.32      0.03      0.00      0.00
  external pressure =       -0.12 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345309537  0.000840872  0.000000000     0.080999239  0.046757644  0.000000000
    -6.171933194 10.691768191  0.000000000    -0.000006370  0.093526222  0.000000000
     0.000000000  0.000000000 19.985562403     0.000000000  0.000000000  0.050036120

  length of vectors
    12.345309566 12.345309490 19.985562403     0.093526221  0.093526222  0.050036120


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.479E-05 -.489E-04 -.952E+03   0.450E-05 -.278E-04 0.960E+03   -.169E-20 0.176E-23 -.867E+01   -.360E-07 0.259E-07 -.177E-01
   0.322E+02 -.186E+02 -.135E+03   -.337E+02 0.195E+02 0.137E+03   0.154E+01 -.890E+00 -.253E+01   -.573E-03 0.330E-03 -.957E-03
   -.322E+02 0.186E+02 -.135E+03   0.337E+02 -.195E+02 0.137E+03   -.154E+01 0.890E+00 -.253E+01   0.573E-03 -.330E-03 -.957E-03
   -.211E+01 0.122E+01 0.163E+02   0.212E+01 -.122E+01 -.163E+02   -.258E-02 0.149E-02 -.241E-01   -.168E-02 0.968E-03 0.459E-03
   0.619E+01 0.677E+01 0.194E+02   -.620E+01 -.679E+01 -.193E+02   0.716E-04 0.258E-01 -.272E-01   0.242E-03 -.160E-02 0.413E-03
   0.112E+02 0.513E+01 0.161E+02   -.112E+02 -.514E+01 -.161E+02   0.228E-01 0.486E-02 -.480E-01   -.395E-03 0.117E-02 0.656E-04
   0.471E+01 -.881E+00 0.126E+02   -.472E+01 0.887E+00 -.126E+02   0.166E-01 -.929E-02 -.180E-01   -.729E-03 0.204E-03 -.383E-03
   -.310E+01 -.251E+01 0.126E+02   0.311E+01 0.250E+01 -.126E+02   0.373E-02 -.214E-03 -.131E-01   -.114E-02 0.869E-03 0.125E-03
   0.620E+00 0.394E+01 0.126E+02   -.611E+00 -.394E+01 -.126E+02   0.205E-02 -.312E-02 -.131E-01   -.133E-02 0.542E-03 0.122E-03
   0.245E+01 0.189E+02 0.240E+02   -.245E+01 -.191E+02 -.240E+02   -.134E-02 0.992E-01 -.487E-01   0.451E-03 0.210E-02 0.266E-03
   0.225E+02 0.214E+02 0.423E+02   -.226E+02 -.217E+02 -.422E+02   0.869E-01 0.259E+00 -.608E-01   -.344E-02 0.106E-02 0.636E-04
   0.268E+02 -.345E+01 0.257E+02   -.271E+02 0.356E+01 -.256E+02   0.265E+00 -.110E+00 -.335E-01   -.969E-04 -.359E-03 -.116E-03
   0.916E+01 -.529E+01 0.136E+02   -.920E+01 0.531E+01 -.136E+02   0.427E-01 -.246E-01 -.118E-01   -.206E-03 0.113E-03 0.198E-03
   0.312E+01 -.364E+01 0.126E+02   -.313E+01 0.365E+01 -.126E+02   0.163E-01 -.969E-02 -.180E-01   -.543E-03 0.525E-03 -.391E-03
   -.596E+01 0.136E+02 0.161E+02   0.596E+01 -.137E+02 -.161E+02   0.803E-03 0.729E-01 -.518E-01   -.149E-02 -.348E-03 -.122E-03
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.273E-01 0.613E+00 0.294E+00   -.493E-03 -.169E-02 -.732E-03
   0.237E+02 -.137E+02 0.941E+02   -.243E+02 0.140E+02 -.962E+02   0.641E+00 -.370E+00 0.205E+01   -.182E-02 0.105E-02 -.161E-02
   0.164E+02 -.215E+02 0.257E+02   -.166E+02 0.217E+02 -.256E+02   0.228E+00 -.175E+00 -.335E-01   0.261E-03 0.256E-03 -.121E-03
   0.115E+01 -.123E+02 0.161E+02   -.115E+01 0.123E+02 -.161E+02   0.717E-02 -.221E-01 -.480E-01   -.120E-02 -.241E-03 0.606E-04
   -.417E+01 0.194E+01 0.116E+02   0.418E+01 -.195E+01 -.116E+02   0.226E-02 0.795E-02 -.439E-01   -.105E-02 0.602E-03 -.396E-04
   -.193E+02 0.111E+02 0.218E+02   0.193E+02 -.112E+02 -.217E+02   -.540E-01 0.312E-01 -.430E-01   0.128E-03 -.704E-04 0.248E-03
   -.373E+02 -.785E+01 0.478E+02   0.378E+02 0.812E+01 -.481E+02   -.545E+00 -.283E+00 0.294E+00   0.122E-02 0.127E-02 -.729E-03
   -.726E+01 -.302E+02 0.423E+02   0.747E+01 0.304E+02 -.422E+02   -.181E+00 -.205E+00 -.608E-01   -.264E-02 0.244E-02 0.619E-04
   -.277E+01 -.875E+01 0.194E+02   0.278E+01 0.876E+01 -.193E+02   -.223E-01 -.130E-01 -.272E-01   0.151E-02 0.589E-03 0.412E-03
   0.135E+01 -.781E+00 0.135E+02   -.135E+01 0.778E+00 -.134E+02   0.634E-02 -.366E-02 -.178E-01   -.119E-02 0.687E-03 0.330E-03
   -.376E+01 0.265E+01 0.116E+02   0.378E+01 -.265E+01 -.116E+02   -.575E-02 -.593E-02 -.439E-01   -.104E-02 0.609E-03 -.354E-04
   -.148E+02 -.165E+01 0.161E+02   0.148E+02 0.168E+01 -.161E+02   -.627E-01 -.371E-01 -.518E-01   -.440E-03 0.146E-02 -.115E-03
   -.152E+02 -.116E+02 0.240E+02   0.153E+02 0.117E+02 -.240E+02   -.865E-01 -.484E-01 -.487E-01   -.159E-02 -.144E-02 0.269E-03
   0.277E+01 0.875E+01 0.194E+02   -.278E+01 -.876E+01 -.193E+02   0.223E-01 0.130E-01 -.272E-01   -.151E-02 -.589E-03 0.412E-03
   0.152E+02 0.116E+02 0.240E+02   -.153E+02 -.117E+02 -.240E+02   0.865E-01 0.484E-01 -.487E-01   0.159E-02 0.144E-02 0.269E-03
   0.148E+02 0.165E+01 0.161E+02   -.148E+02 -.168E+01 -.161E+02   0.627E-01 0.371E-01 -.518E-01   0.440E-03 -.146E-02 -.115E-03
   0.376E+01 -.265E+01 0.116E+02   -.378E+01 0.265E+01 -.116E+02   0.575E-02 0.593E-02 -.439E-01   0.104E-02 -.610E-03 -.354E-04
   -.135E+01 0.781E+00 0.135E+02   0.135E+01 -.778E+00 -.134E+02   -.634E-02 0.366E-02 -.178E-01   0.119E-02 -.687E-03 0.330E-03
   -.115E+01 0.123E+02 0.161E+02   0.115E+01 -.123E+02 -.161E+02   -.717E-02 0.221E-01 -.480E-01   0.120E-02 0.241E-03 0.606E-04
   0.726E+01 0.302E+02 0.423E+02   -.747E+01 -.304E+02 -.422E+02   0.181E+00 0.205E+00 -.608E-01   0.264E-02 -.244E-02 0.619E-04
   0.373E+02 0.785E+01 0.478E+02   -.378E+02 -.812E+01 -.481E+02   0.545E+00 0.283E+00 0.294E+00   -.122E-02 -.127E-02 -.729E-03
   0.193E+02 -.111E+02 0.218E+02   -.193E+02 0.112E+02 -.217E+02   0.540E-01 -.312E-01 -.430E-01   -.128E-03 0.704E-04 0.248E-03
   0.417E+01 -.194E+01 0.116E+02   -.418E+01 0.195E+01 -.116E+02   -.226E-02 -.795E-02 -.439E-01   0.105E-02 -.602E-03 -.396E-04
   -.312E+01 0.364E+01 0.126E+02   0.313E+01 -.365E+01 -.126E+02   -.163E-01 0.969E-02 -.180E-01   0.543E-03 -.525E-03 -.391E-03
   -.164E+02 0.215E+02 0.257E+02   0.166E+02 -.217E+02 -.256E+02   -.228E+00 0.175E+00 -.335E-01   -.261E-03 -.256E-03 -.121E-03
   -.237E+02 0.137E+02 0.941E+02   0.243E+02 -.140E+02 -.962E+02   -.641E+00 0.370E+00 0.205E+01   0.182E-02 -.105E-02 -.161E-02
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.273E-01 -.613E+00 0.294E+00   0.493E-03 0.169E-02 -.732E-03
   0.596E+01 -.136E+02 0.161E+02   -.596E+01 0.137E+02 -.161E+02   -.803E-03 -.729E-01 -.518E-01   0.149E-02 0.348E-03 -.122E-03
   -.620E+00 -.394E+01 0.126E+02   0.611E+00 0.394E+01 -.126E+02   -.205E-02 0.312E-02 -.131E-01   0.133E-02 -.542E-03 0.122E-03
   -.916E+01 0.529E+01 0.136E+02   0.920E+01 -.531E+01 -.136E+02   -.427E-01 0.246E-01 -.118E-01   0.206E-03 -.113E-03 0.198E-03
   -.268E+02 0.345E+01 0.257E+02   0.271E+02 -.356E+01 -.256E+02   -.265E+00 0.110E+00 -.335E-01   0.969E-04 0.359E-03 -.116E-03
   -.225E+02 -.214E+02 0.423E+02   0.226E+02 0.217E+02 -.422E+02   -.869E-01 -.259E+00 -.608E-01   0.344E-02 -.106E-02 0.636E-04
   -.245E+01 -.189E+02 0.240E+02   0.245E+01 0.191E+02 -.240E+02   0.134E-02 -.992E-01 -.487E-01   -.451E-03 -.210E-02 0.266E-03
   0.211E+01 -.122E+01 0.163E+02   -.212E+01 0.122E+01 -.163E+02   0.258E-02 -.149E-02 -.241E-01   0.168E-02 -.968E-03 0.459E-03
   0.310E+01 0.251E+01 0.126E+02   -.311E+01 -.250E+01 -.126E+02   -.373E-02 0.214E-03 -.131E-01   0.114E-02 -.869E-03 0.125E-03
   -.471E+01 0.881E+00 0.126E+02   0.472E+01 -.887E+00 -.126E+02   -.166E-01 0.929E-02 -.180E-01   0.729E-03 -.204E-03 -.383E-03
   -.112E+02 -.513E+01 0.161E+02   0.112E+02 0.514E+01 -.161E+02   -.228E-01 -.486E-02 -.480E-01   0.395E-03 -.117E-02 0.656E-04
   -.619E+01 -.677E+01 0.194E+02   0.620E+01 0.679E+01 -.193E+02   -.716E-04 -.258E-01 -.272E-01   -.242E-03 0.160E-02 0.413E-03
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.293E-03 0.101E+02   0.711E-13 -.128E-12 -.206E-12   -.408E-15 -.243E-16 -.100E+02   -.332E-07 0.295E-07 -.222E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85221      6.05903     12.26345         0.000000      0.000000      0.033922
      1.07501      6.50775     13.52326         0.004417     -0.002550      0.004624
      2.62940      5.61032     13.52326        -0.004417      0.002550      0.004624
      0.00008     -0.00005      9.91039         0.004569     -0.002638      0.000029
     -1.23469      2.13673      9.90906        -0.003903      0.011799     -0.000072
     -2.47002      4.27652      9.92906         0.005221     -0.006369     -0.000516
     -3.70365      6.41518      9.93681         0.002414     -0.002471     -0.001264
     -4.93742      8.55348      9.92733         0.007787     -0.006632     -0.000563
      2.46907      0.00002      9.92733         0.009637     -0.003428     -0.000563
      1.23397      2.13685      9.91863        -0.001830     -0.013033     -0.001387
     -0.00290      4.27091      9.93119         0.022712     -0.007474     -0.002513
     -1.23818      6.41578      9.95323        -0.006505      0.000568     -0.000905
     -2.46880      8.55377      9.93860        -0.001806      0.001042      0.000646
      4.93777      0.00070      9.93681         0.003347     -0.000855     -0.001264
      3.70409      2.13673      9.94008         0.005647      0.005199     -0.001038
      2.46985      4.26853      9.96779         0.004252      0.002486     -0.002984
      1.22911      6.41878      9.97395         0.004316     -0.002492      0.001250
     -0.00194      8.55701      9.95323        -0.003744      0.005349     -0.000905
      7.40673      0.00167      9.92906         0.008126     -0.001337     -0.000516
      6.17244      2.13897      9.93539         0.006346     -0.003998     -0.000694
      4.93908      4.27682      9.94808        -0.005881      0.003396      0.000210
      3.71165      6.41938      9.96779        -0.000027     -0.004925     -0.002984
      2.47321      8.55966      9.93119         0.017829     -0.015932     -0.002513
      9.87750      0.00174      9.90906        -0.012169     -0.002520     -0.000072
      8.64160      2.13918      9.92024         0.010634     -0.006139      0.000153
      7.40720      4.27763      9.93539         0.006636     -0.003497     -0.000694
      6.17497      6.41641      9.94008        -0.001679     -0.007490     -0.001038
      4.93980      8.55553      9.91863         0.010372      0.008101     -0.001387
     -0.00116      1.42455      9.90906         0.012169      0.002520     -0.000072
     -1.23538      3.56253      9.91863        -0.010372     -0.008101     -0.001387
     -2.47056      5.70166      9.94008         0.001679      0.007490     -0.001038
     -3.70279      7.84044      9.93539        -0.006636      0.003497     -0.000694
     -4.93719      9.97889      9.92024        -0.010634      0.006139      0.000153
      2.46962      1.42462      9.92906        -0.008126      0.001337     -0.000516
      1.23120      3.55840      9.93119        -0.017829      0.015932     -0.002513
     -0.00724      5.69868      9.96779         0.000027      0.004925     -0.002984
     -1.23467      7.84124      9.94808         0.005881     -0.003396      0.000210
     -2.46803      9.97909      9.93539        -0.006346      0.003998     -0.000694
      4.93857      1.42560      9.93681        -0.003347      0.000855     -0.001264
      3.70635      3.56105      9.95323         0.003744     -0.005349     -0.000905
      2.47530      5.69929      9.97395        -0.004316      0.002492      0.001250
      1.23456      7.84953      9.96779        -0.004252     -0.002486     -0.002984
      0.00032      9.98134      9.94008        -0.005647     -0.005199     -0.001038
      7.40728      1.42628      9.92733        -0.009637      0.003428     -0.000563
      6.17321      3.56430      9.93860         0.001806     -0.001042      0.000646
      4.94260      5.70229      9.95323         0.006505     -0.000568     -0.000905
      3.70731      7.84715      9.93119        -0.022712      0.007474     -0.002513
      2.47044      9.98121      9.91863         0.001830      0.013033     -0.001387
      9.87626      1.42635      9.91039        -0.004569      0.002638      0.000029
      8.64183      3.56458      9.92733        -0.007787      0.006632     -0.000563
      7.40806      5.70288      9.93681        -0.002414      0.002471     -0.001264
      6.17443      7.84155      9.92906        -0.005221      0.006369     -0.000516
      4.93910      9.98133      9.90906         0.003903     -0.011799     -0.000072
 -----------------------------------------------------------------------------------
    total drift:                               -0.001808      0.000293      0.021881


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.68: CPU time    1.68
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.18: CPU time    1.18
    ORTHCH:  VPU time  149.99: CPU time   75.05
     LOOP+:  VPU time 4662.40: CPU time 2386.20


----------------------------------------- Iteration   17(   1)  ---------------------------------------


    POTLOK:  VPU time    7.87: CPU time    7.79
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1232.68: CPU time  628.86
 BZINTS: Fermi energy: -3.206570;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   89.84: CPU time   45.28
    MIXING:  VPU time    0.13: CPU time    0.13
    ------------------------------------------
      LOOP:  VPU time 1330.86: CPU time  682.37

 eigenvalue-minimisations  :  4744
 total energy-change (2. order) :-0.4717264E+03  (-0.2731092E-04)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9578682 magnetization   -0.0000002

 Broyden mixing:
  rms(total) = 0.99573E-03    rms(broyden)= 0.99563E-03
  rms(prec ) = 0.11728E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34099.30563308
  -1/2 Hartree   DENC   =    -40990.45657083
  -V(xc)+E(xc)   XCENC  =       726.59935761
  PAW double counting   =      4093.96106426    -4132.30723578
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.26848791
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72638598 eV

  energy without entropy =     -471.72638598  energy(sigma->0) =     -471.72638598


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   17(   2)  ---------------------------------------


    POTLOK:  VPU time    7.78: CPU time    7.78
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1194.42: CPU time  609.74
 BZINTS: Fermi energy: -3.206021;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1202.55: CPU time  617.84

 eigenvalue-minimisations  :  4528
 total energy-change (2. order) : 0.1369277E-04  (-0.3715539E-05)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9578682 magnetization   -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34099.30563308
  -1/2 Hartree   DENC   =    -40990.30077733
  -V(xc)+E(xc)   XCENC  =       726.59498296
  PAW double counting   =      4093.87961820    -4132.22561443
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.42006836
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72637229 eV

  energy without entropy =     -471.72637229  energy(sigma->0) =     -471.72637229


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2174       2 -39.5340       3 -39.5341       4 -58.3118       5 -58.3158
       6 -58.3182       7 -58.3127       8 -58.3132       9 -58.3131      10 -58.3196
      11 -58.3858      12 -58.3497      13 -58.3210      14 -58.3127      15 -58.3225
      16 -58.5409      17 -58.7280      18 -58.3497      19 -58.3182      20 -58.3180
      21 -58.3558      22 -58.5409      23 -58.3859      24 -58.3158      25 -58.3210
      26 -58.3180      27 -58.3226      28 -58.3196      29 -58.3156      30 -58.3195
      31 -58.3224      32 -58.3179      33 -58.3209      34 -58.3181      35 -58.3858
      36 -58.5408      37 -58.3558      38 -58.3179      39 -58.3126      40 -58.3495
      41 -58.7279      42 -58.5409      43 -58.3225      44 -58.3130      45 -58.3209
      46 -58.3495      47 -58.3858      48 -58.3195      49 -58.3117      50 -58.3130
      51 -58.3126      52 -58.3181      53 -58.3157
 
 
 
 E-fermi :  -3.2060     XC(G=0):  -2.3555     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4245      1.00000
      2     -21.6014      1.00000
      3     -21.4796      1.00000
      4     -21.4705      1.00000
      5     -21.4389      1.00000
      6     -21.4382      1.00000
      7     -21.4278      1.00000
      8     -19.7057      1.00000
      9     -19.6506      1.00000
     10     -19.6272      1.00000
     11     -19.6166      1.00000
     12     -19.6114      1.00000
     13     -19.6097      1.00000
     14     -18.7883      1.00000
     15     -18.7524      1.00000
     16     -18.7326      1.00000
     17     -18.7232      1.00000
     18     -18.7158      1.00000
     19     -18.7114      1.00000
     20     -16.6326      1.00000
     21     -16.6069      1.00000
     22     -16.5828      1.00000
     23     -16.5794      1.00000
     24     -16.5522      1.00000
     25     -16.5507      1.00000
     26     -15.6121      1.00000
     27     -15.6010      1.00000
     28     -15.5971      1.00000
     29     -15.5624      1.00000
     30     -15.5609      1.00000
     31     -15.5586      1.00000
     32     -14.2573      1.00000
     33     -14.2480      1.00000
     34     -14.2390      1.00000
     35     -14.2342      1.00000
     36     -14.2197      1.00000
     37     -14.2173      1.00000
     38     -11.9038      1.00000
     39     -11.8772      1.00000
     40     -11.8667      1.00000
     41     -11.8626      1.00000
     42     -11.8422      1.00000
     43     -11.8421      1.00000
     44     -11.7686      1.00000
     45     -11.7666      1.00000
     46     -11.7327      1.00000
     47     -11.7264      1.00000
     48     -11.7234      1.00000
     49     -11.7199      1.00000
     50     -10.6745      1.00000
     51     -10.3857      1.00000
     52     -10.3819      1.00000
     53     -10.3746      1.00000
     54     -10.3658      1.00000
     55     -10.3539      1.00000
     56     -10.3512      1.00000
     57      -9.9024      1.00000
     58      -9.4488      1.00000
     59      -9.4036      1.00000
     60      -9.3605      1.00000
     61      -9.3599      1.00000
     62      -9.3520      1.00000
     63      -9.1397      1.00000
     64      -9.1212      1.00000
     65      -9.1185      1.00000
     66      -9.0834      1.00000
     67      -9.0691      1.00000
     68      -9.0681      1.00000
     69      -9.0670      1.00000
     70      -9.0624      1.00000
     71      -9.0623      1.00000
     72      -9.0359      1.00000
     73      -9.0258      1.00000
     74      -9.0241      1.00000
     75      -8.1282      1.00000
     76      -7.7447      1.00000
     77      -7.4678      1.00000
     78      -7.4638      1.00000
     79      -7.4513      1.00000
     80      -7.4322      1.00000
     81      -7.4221      1.00000
     82      -7.4033      1.00000
     83      -7.3106      1.00000
     84      -7.2694      1.00000
     85      -7.2556      1.00000
     86      -7.2466      1.00000
     87      -7.1483      1.00000
     88      -7.0469      1.00000
     89      -6.4444      1.00000
     90      -6.4137      1.00000
     91      -6.3982      1.00000
     92      -6.3616      1.00000
     93      -6.3513      1.00000
     94      -6.3386      1.00000
     95      -5.9579      1.00000
     96      -5.9543      1.00000
     97      -4.8050      1.00000
     98      -4.5430      1.00000
     99      -4.4797      1.00000
    100      -4.4730      1.00000
    101      -4.3806      1.00000
    102      -4.3799      1.00000
    103      -4.2658      1.00000
    104      -4.1860      1.00000
    105      -3.7378      1.00000
    106      -3.4765      1.00000
    107      -1.8621      0.00000
    108      -1.6685      0.00000
    109      -1.6217      0.00000
    110      -1.5894      0.00000
    111      -1.5740      0.00000
    112      -1.5731      0.00000
    113      -0.4277      0.00000
    114       0.1487      0.00000
    115       0.1927      0.00000
    116       0.2564      0.00000
    117       0.2696      0.00000
    118       0.2731      0.00000
    119       0.4794      0.00000
    120       0.5597      0.00000
    121       1.2562      0.00000
    122       1.2937      0.00000
    123       1.5448      0.00000
    124       1.7580      0.00000
    125       1.7819      0.00000
    126       1.7848      0.00000
    127       1.7859      0.00000
    128       1.8342      0.00000
    129       1.9590      0.00000
    130       1.9730      0.00000
    131       1.9768      0.00000
    132       1.9909      0.00000
    133       1.9980      0.00000
    134       2.0902      0.00000
    135       2.2670      0.00000
    136       2.3382      0.00000
    137       2.6263      0.00000
    138       2.6292      0.00000
    139       2.6600      0.00000
    140       2.6895      0.00000
    141       2.9387      0.00000
    142       3.0122      0.00000
    143       3.0143      0.00000
    144       3.0375      0.00000
    145       3.0400      0.00000
    146       3.0410      0.00000
    147       3.0787      0.00000
    148       3.2760      0.00000
    149       3.4300      0.00000
    150       3.5040      0.00000
    151       3.8016      0.00000
    152       3.9159      0.00000
    153       3.9190      0.00000
    154       3.9191      0.00000
    155       3.9406      0.00000
    156       3.9918      0.00000
    157       4.1830      0.00000
    158       4.2681      0.00000
    159       4.2715      0.00000
    160       4.2898      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3878      1.00000
      2     -21.8287      1.00000
      3     -21.6363      1.00000
      4     -21.6086      1.00000
      5     -21.2728      1.00000
      6     -21.2334      1.00000
      7     -21.0550      1.00000
      8     -20.1658      1.00000
      9     -20.1276      1.00000
     10     -19.6068      1.00000
     11     -19.5954      1.00000
     12     -19.4154      1.00000
     13     -19.0877      1.00000
     14     -19.0583      1.00000
     15     -19.0470      1.00000
     16     -19.0391      1.00000
     17     -18.3588      1.00000
     18     -18.3500      1.00000
     19     -18.0171      1.00000
     20     -17.0672      1.00000
     21     -17.0285      1.00000
     22     -16.9420      1.00000
     23     -16.9379      1.00000
     24     -16.4658      1.00000
     25     -16.4613      1.00000
     26     -15.6113      1.00000
     27     -15.6056      1.00000
     28     -15.2504      1.00000
     29     -15.2413      1.00000
     30     -15.1830      1.00000
     31     -15.0965      1.00000
     32     -15.0690      1.00000
     33     -14.6964      1.00000
     34     -14.6941      1.00000
     35     -13.7245      1.00000
     36     -13.7214      1.00000
     37     -13.2340      1.00000
     38     -12.6127      1.00000
     39     -12.5820      1.00000
     40     -12.4525      1.00000
     41     -12.4483      1.00000
     42     -12.1073      1.00000
     43     -12.1019      1.00000
     44     -11.7146      1.00000
     45     -11.6837      1.00000
     46     -11.2329      1.00000
     47     -11.2241      1.00000
     48     -11.0159      1.00000
     49     -11.0077      1.00000
     50     -10.9239      1.00000
     51     -10.9028      1.00000
     52     -10.6295      1.00000
     53     -10.1534      1.00000
     54     -10.1487      1.00000
     55     -10.0903      1.00000
     56      -9.9969      1.00000
     57      -9.7000      1.00000
     58      -9.6936      1.00000
     59      -9.6538      1.00000
     60      -9.5903      1.00000
     61      -9.5735      1.00000
     62      -9.5570      1.00000
     63      -9.3055      1.00000
     64      -9.3011      1.00000
     65      -9.2722      1.00000
     66      -9.2338      1.00000
     67      -9.1349      1.00000
     68      -9.1140      1.00000
     69      -9.1085      1.00000
     70      -8.9378      1.00000
     71      -8.8693      1.00000
     72      -8.6014      1.00000
     73      -8.5887      1.00000
     74      -8.2348      1.00000
     75      -8.0991      1.00000
     76      -7.9117      1.00000
     77      -7.8609      1.00000
     78      -7.7704      1.00000
     79      -7.7543      1.00000
     80      -7.6901      1.00000
     81      -7.5589      1.00000
     82      -7.3378      1.00000
     83      -7.3203      1.00000
     84      -7.2026      1.00000
     85      -7.1212      1.00000
     86      -7.0300      1.00000
     87      -7.0093      1.00000
     88      -6.7026      1.00000
     89      -6.6760      1.00000
     90      -6.6389      1.00000
     91      -6.5959      1.00000
     92      -6.1147      1.00000
     93      -6.0599      1.00000
     94      -6.0285      1.00000
     95      -6.0095      1.00000
     96      -5.7813      1.00000
     97      -4.9728      1.00000
     98      -4.8305      1.00000
     99      -4.7451      1.00000
    100      -4.6777      1.00000
    101      -4.4675      1.00000
    102      -4.2023      1.00000
    103      -4.1706      1.00000
    104      -4.1261      1.00000
    105      -3.7282      1.00000
    106      -3.4868      1.00000
    107      -1.8694      0.00000
    108      -1.8066      0.00000
    109      -1.5233      0.00000
    110      -1.3749      0.00000
    111      -1.3202      0.00000
    112      -1.2862      0.00000
    113      -0.7189      0.00000
    114      -0.3748      0.00000
    115      -0.2475      0.00000
    116       0.0388      0.00000
    117       0.5655      0.00000
    118       0.7023      0.00000
    119       0.7485      0.00000
    120       1.0508      0.00000
    121       1.1011      0.00000
    122       1.1553      0.00000
    123       1.2302      0.00000
    124       1.3854      0.00000
    125       1.5320      0.00000
    126       1.5957      0.00000
    127       1.7177      0.00000
    128       1.7875      0.00000
    129       1.8581      0.00000
    130       1.8851      0.00000
    131       2.1002      0.00000
    132       2.2012      0.00000
    133       2.2476      0.00000
    134       2.3152      0.00000
    135       2.5183      0.00000
    136       2.5866      0.00000
    137       2.6015      0.00000
    138       2.7614      0.00000
    139       2.7909      0.00000
    140       2.8100      0.00000
    141       2.8237      0.00000
    142       2.8877      0.00000
    143       2.9289      0.00000
    144       3.0946      0.00000
    145       3.1598      0.00000
    146       3.3014      0.00000
    147       3.3343      0.00000
    148       3.3899      0.00000
    149       3.4506      0.00000
    150       3.5825      0.00000
    151       3.6217      0.00000
    152       3.6417      0.00000
    153       3.6953      0.00000
    154       3.8973      0.00000
    155       3.9541      0.00000
    156       4.0173      0.00000
    157       4.0659      0.00000
    158       4.2135      0.00000
    159       4.2370      0.00000
    160       4.2752      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2818      1.00000
      2     -22.0762      1.00000
      3     -21.7148      1.00000
      4     -21.6830      1.00000
      5     -20.9776      1.00000
      6     -20.9370      1.00000
      7     -20.6100      1.00000
      8     -20.5732      1.00000
      9     -20.5672      1.00000
     10     -20.0308      1.00000
     11     -19.5016      1.00000
     12     -19.4896      1.00000
     13     -19.3050      1.00000
     14     -19.2994      1.00000
     15     -18.4458      1.00000
     16     -18.4091      1.00000
     17     -17.9205      1.00000
     18     -17.9107      1.00000
     19     -17.7597      1.00000
     20     -17.7240      1.00000
     21     -17.4341      1.00000
     22     -17.4263      1.00000
     23     -17.3389      1.00000
     24     -16.4607      1.00000
     25     -16.4597      1.00000
     26     -15.9653      1.00000
     27     -15.4117      1.00000
     28     -15.4070      1.00000
     29     -15.0941      1.00000
     30     -15.0912      1.00000
     31     -14.8531      1.00000
     32     -14.8449      1.00000
     33     -14.2888      1.00000
     34     -14.2554      1.00000
     35     -13.4352      1.00000
     36     -13.4021      1.00000
     37     -13.1755      1.00000
     38     -13.1715      1.00000
     39     -12.9800      1.00000
     40     -12.9749      1.00000
     41     -12.6112      1.00000
     42     -12.6070      1.00000
     43     -12.1961      1.00000
     44     -11.5738      1.00000
     45     -11.5402      1.00000
     46     -11.3079      1.00000
     47     -11.2853      1.00000
     48     -11.1404      1.00000
     49     -10.6736      1.00000
     50     -10.6590      1.00000
     51     -10.5515      1.00000
     52     -10.3221      1.00000
     53     -10.3151      1.00000
     54     -10.1674      1.00000
     55     -10.1135      1.00000
     56     -10.1101      1.00000
     57      -9.7963      1.00000
     58      -9.7638      1.00000
     59      -9.7494      1.00000
     60      -9.6973      1.00000
     61      -9.6956      1.00000
     62      -9.6602      1.00000
     63      -9.3533      1.00000
     64      -9.3486      1.00000
     65      -9.3126      1.00000
     66      -9.0392      1.00000
     67      -8.9609      1.00000
     68      -8.9467      1.00000
     69      -8.7977      1.00000
     70      -8.5922      1.00000
     71      -8.5557      1.00000
     72      -8.3965      1.00000
     73      -8.3632      1.00000
     74      -8.3219      1.00000
     75      -8.3050      1.00000
     76      -8.2562      1.00000
     77      -8.2548      1.00000
     78      -8.2334      1.00000
     79      -7.9029      1.00000
     80      -7.6493      1.00000
     81      -7.5477      1.00000
     82      -7.3854      1.00000
     83      -7.3472      1.00000
     84      -7.2295      1.00000
     85      -7.0946      1.00000
     86      -7.0365      1.00000
     87      -6.9321      1.00000
     88      -6.8460      1.00000
     89      -6.6095      1.00000
     90      -6.5574      1.00000
     91      -6.2667      1.00000
     92      -6.0419      1.00000
     93      -5.9498      1.00000
     94      -5.6608      1.00000
     95      -5.6209      1.00000
     96      -5.4613      1.00000
     97      -5.3181      1.00000
     98      -5.2769      1.00000
     99      -5.2118      1.00000
    100      -5.1922      1.00000
    101      -4.5073      1.00000
    102      -4.2066      1.00000
    103      -4.0580      1.00000
    104      -3.9873      1.00000
    105      -3.6930      1.00000
    106      -3.4971      1.00000
    107      -1.9443      0.00000
    108      -1.8945      0.00000
    109      -1.3382      0.00000
    110      -1.0836      0.00000
    111      -1.0556      0.00000
    112      -0.7992      0.00000
    113      -0.6751      0.00000
    114      -0.6457      0.00000
    115      -0.6055      0.00000
    116      -0.1066      0.00000
    117       0.2172      0.00000
    118       0.3309      0.00000
    119       0.7043      0.00000
    120       0.8967      0.00000
    121       1.1311      0.00000
    122       1.2015      0.00000
    123       1.3350      0.00000
    124       1.4311      0.00000
    125       1.5590      0.00000
    126       1.5792      0.00000
    127       1.6931      0.00000
    128       1.8043      0.00000
    129       1.8819      0.00000
    130       2.0539      0.00000
    131       2.0955      0.00000
    132       2.2927      0.00000
    133       2.3549      0.00000
    134       2.4090      0.00000
    135       2.5574      0.00000
    136       2.6322      0.00000
    137       2.7064      0.00000
    138       2.7358      0.00000
    139       2.7738      0.00000
    140       2.8680      0.00000
    141       3.0269      0.00000
    142       3.0636      0.00000
    143       3.1693      0.00000
    144       3.2667      0.00000
    145       3.3675      0.00000
    146       3.4174      0.00000
    147       3.4339      0.00000
    148       3.5492      0.00000
    149       3.5693      0.00000
    150       3.5925      0.00000
    151       3.6592      0.00000
    152       3.6772      0.00000
    153       3.7512      0.00000
    154       3.7575      0.00000
    155       3.8054      0.00000
    156       3.8888      0.00000
    157       3.9279      0.00000
    158       3.9933      0.00000
    159       4.2082      0.00000
    160       4.2236      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3158      1.00000
      2     -21.9611      1.00000
      3     -21.8918      1.00000
      4     -21.3791      1.00000
      5     -21.3499      1.00000
      6     -20.8380      1.00000
      7     -20.7726      1.00000
      8     -20.6224      1.00000
      9     -20.0755      1.00000
     10     -20.0701      1.00000
     11     -19.7150      1.00000
     12     -19.6905      1.00000
     13     -18.9944      1.00000
     14     -18.9889      1.00000
     15     -18.6386      1.00000
     16     -18.6227      1.00000
     17     -18.4604      1.00000
     18     -17.6734      1.00000
     19     -17.6231      1.00000
     20     -17.6203      1.00000
     21     -17.5784      1.00000
     22     -17.1246      1.00000
     23     -17.1029      1.00000
     24     -16.9601      1.00000
     25     -15.9999      1.00000
     26     -15.9267      1.00000
     27     -15.5839      1.00000
     28     -15.5837      1.00000
     29     -15.2842      1.00000
     30     -14.8625      1.00000
     31     -14.8350      1.00000
     32     -14.5773      1.00000
     33     -14.5353      1.00000
     34     -14.1658      1.00000
     35     -14.1524      1.00000
     36     -13.1467      1.00000
     37     -13.0990      1.00000
     38     -13.0279      1.00000
     39     -13.0176      1.00000
     40     -12.7073      1.00000
     41     -12.7034      1.00000
     42     -12.3391      1.00000
     43     -12.3079      1.00000
     44     -11.6332      1.00000
     45     -11.6195      1.00000
     46     -11.5690      1.00000
     47     -10.9468      1.00000
     48     -10.9138      1.00000
     49     -10.6310      1.00000
     50     -10.6232      1.00000
     51     -10.5457      1.00000
     52     -10.4971      1.00000
     53     -10.4969      1.00000
     54     -10.4386      1.00000
     55     -10.3592      1.00000
     56     -10.0977      1.00000
     57      -9.9017      1.00000
     58      -9.6076      1.00000
     59      -9.5550      1.00000
     60      -9.4504      1.00000
     61      -9.4094      1.00000
     62      -9.4030      1.00000
     63      -9.3758      1.00000
     64      -9.3758      1.00000
     65      -9.2856      1.00000
     66      -9.1656      1.00000
     67      -9.1402      1.00000
     68      -9.1112      1.00000
     69      -8.8619      1.00000
     70      -8.8544      1.00000
     71      -8.8134      1.00000
     72      -8.5951      1.00000
     73      -8.4783      1.00000
     74      -8.1959      1.00000
     75      -8.1605      1.00000
     76      -8.0069      1.00000
     77      -7.9625      1.00000
     78      -7.8499      1.00000
     79      -7.8391      1.00000
     80      -7.7023      1.00000
     81      -7.6951      1.00000
     82      -7.6201      1.00000
     83      -7.4469      1.00000
     84      -7.2985      1.00000
     85      -7.2513      1.00000
     86      -6.9038      1.00000
     87      -6.8901      1.00000
     88      -6.5866      1.00000
     89      -6.5493      1.00000
     90      -6.4058      1.00000
     91      -6.2518      1.00000
     92      -6.2309      1.00000
     93      -6.2015      1.00000
     94      -6.0211      1.00000
     95      -5.5480      1.00000
     96      -5.4870      1.00000
     97      -5.3485      1.00000
     98      -5.2176      1.00000
     99      -4.9780      1.00000
    100      -4.7311      1.00000
    101      -4.6763      1.00000
    102      -4.3859      1.00000
    103      -4.2019      1.00000
    104      -3.8697      1.00000
    105      -3.5451      1.00000
    106      -3.5092      1.00000
    107      -2.2538      0.00000
    108      -1.4562      0.00000
    109      -1.3684      0.00000
    110      -1.2398      0.00000
    111      -1.0965      0.00000
    112      -0.9440      0.00000
    113      -0.8625      0.00000
    114      -0.8021      0.00000
    115      -0.1379      0.00000
    116       0.1141      0.00000
    117       0.2428      0.00000
    118       0.3795      0.00000
    119       0.6623      0.00000
    120       0.8382      0.00000
    121       0.9384      0.00000
    122       1.0720      0.00000
    123       1.2447      0.00000
    124       1.4537      0.00000
    125       1.5650      0.00000
    126       1.7679      0.00000
    127       1.7904      0.00000
    128       1.8551      0.00000
    129       1.9864      0.00000
    130       2.0398      0.00000
    131       2.1817      0.00000
    132       2.1906      0.00000
    133       2.4020      0.00000
    134       2.4190      0.00000
    135       2.4921      0.00000
    136       2.6066      0.00000
    137       2.6347      0.00000
    138       2.7074      0.00000
    139       2.7577      0.00000
    140       2.8444      0.00000
    141       2.9605      0.00000
    142       3.0728      0.00000
    143       3.1649      0.00000
    144       3.1940      0.00000
    145       3.2284      0.00000
    146       3.2861      0.00000
    147       3.3149      0.00000
    148       3.4646      0.00000
    149       3.5144      0.00000
    150       3.6998      0.00000
    151       3.7205      0.00000
    152       3.7269      0.00000
    153       3.8663      0.00000
    154       3.8919      0.00000
    155       3.9371      0.00000
    156       3.9659      0.00000
    157       3.9868      0.00000
    158       4.0266      0.00000
    159       4.0281      0.00000
    160       4.0444      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2088      1.00000
      2     -22.1158      1.00000
      3     -21.9550      1.00000
      4     -21.4026      1.00000
      5     -21.0481      1.00000
      6     -21.0121      1.00000
      7     -20.4990      1.00000
      8     -20.4594      1.00000
      9     -20.2931      1.00000
     10     -20.2739      1.00000
     11     -19.9557      1.00000
     12     -19.8899      1.00000
     13     -18.8806      1.00000
     14     -18.8118      1.00000
     15     -18.3511      1.00000
     16     -18.3048      1.00000
     17     -18.1512      1.00000
     18     -18.1340      1.00000
     19     -17.8249      1.00000
     20     -17.7874      1.00000
     21     -17.2499      1.00000
     22     -17.2398      1.00000
     23     -17.1628      1.00000
     24     -17.1310      1.00000
     25     -16.1085      1.00000
     26     -15.8833      1.00000
     27     -15.8684      1.00000
     28     -15.8321      1.00000
     29     -15.2345      1.00000
     30     -14.5530      1.00000
     31     -14.5251      1.00000
     32     -14.2781      1.00000
     33     -13.9623      1.00000
     34     -13.9547      1.00000
     35     -13.8186      1.00000
     36     -13.8028      1.00000
     37     -13.6125      1.00000
     38     -13.5688      1.00000
     39     -13.3680      1.00000
     40     -12.6328      1.00000
     41     -12.1788      1.00000
     42     -12.1309      1.00000
     43     -12.0697      1.00000
     44     -12.0175      1.00000
     45     -11.6682      1.00000
     46     -11.6546      1.00000
     47     -11.1368      1.00000
     48     -11.1163      1.00000
     49     -10.7922      1.00000
     50     -10.7287      1.00000
     51     -10.5275      1.00000
     52     -10.2077      1.00000
     53     -10.2031      1.00000
     54     -10.1629      1.00000
     55     -10.0162      1.00000
     56     -10.0025      1.00000
     57      -9.9887      1.00000
     58      -9.7995      1.00000
     59      -9.7958      1.00000
     60      -9.7605      1.00000
     61      -9.7555      1.00000
     62      -9.4520      1.00000
     63      -9.4157      1.00000
     64      -9.0786      1.00000
     65      -9.0711      1.00000
     66      -9.0388      1.00000
     67      -8.9529      1.00000
     68      -8.8755      1.00000
     69      -8.7105      1.00000
     70      -8.6980      1.00000
     71      -8.5633      1.00000
     72      -8.5404      1.00000
     73      -8.4973      1.00000
     74      -8.4614      1.00000
     75      -8.4505      1.00000
     76      -8.2586      1.00000
     77      -8.1236      1.00000
     78      -8.0416      1.00000
     79      -7.9143      1.00000
     80      -7.8615      1.00000
     81      -7.6129      1.00000
     82      -7.5462      1.00000
     83      -7.4875      1.00000
     84      -7.2660      1.00000
     85      -6.9941      1.00000
     86      -6.9215      1.00000
     87      -6.8808      1.00000
     88      -6.5297      1.00000
     89      -6.4844      1.00000
     90      -6.4592      1.00000
     91      -6.4083      1.00000
     92      -5.9820      1.00000
     93      -5.8956      1.00000
     94      -5.7825      1.00000
     95      -5.7578      1.00000
     96      -5.4302      1.00000
     97      -5.3276      1.00000
     98      -5.2281      1.00000
     99      -5.2157      1.00000
    100      -5.1868      1.00000
    101      -4.6907      1.00000
    102      -4.4200      1.00000
    103      -4.2085      1.00000
    104      -3.8329      1.00000
    105      -3.5283      1.00000
    106      -3.2727      1.00000
    107      -2.5291      0.00000
    108      -1.4575      0.00000
    109      -1.2643      0.00000
    110      -1.2013      0.00000
    111      -1.1705      0.00000
    112      -0.7187      0.00000
    113      -0.5019      0.00000
    114      -0.4105      0.00000
    115      -0.3373      0.00000
    116      -0.1445      0.00000
    117      -0.0014      0.00000
    118       0.1959      0.00000
    119       0.5642      0.00000
    120       0.6144      0.00000
    121       0.8051      0.00000
    122       0.9179      0.00000
    123       1.1435      0.00000
    124       1.5055      0.00000
    125       1.6421      0.00000
    126       1.8678      0.00000
    127       1.9347      0.00000
    128       2.0913      0.00000
    129       2.1125      0.00000
    130       2.1284      0.00000
    131       2.1623      0.00000
    132       2.2819      0.00000
    133       2.3082      0.00000
    134       2.4522      0.00000
    135       2.5758      0.00000
    136       2.6629      0.00000
    137       2.8612      0.00000
    138       2.8732      0.00000
    139       2.9009      0.00000
    140       2.9791      0.00000
    141       3.0075      0.00000
    142       3.1337      0.00000
    143       3.1500      0.00000
    144       3.2119      0.00000
    145       3.2695      0.00000
    146       3.2919      0.00000
    147       3.3078      0.00000
    148       3.3538      0.00000
    149       3.4314      0.00000
    150       3.4473      0.00000
    151       3.5551      0.00000
    152       3.6117      0.00000
    153       3.6565      0.00000
    154       3.6955      0.00000
    155       3.7860      0.00000
    156       3.9029      0.00000
    157       3.9208      0.00000
    158       4.0072      0.00000
    159       4.1476      0.00000
    160       4.2287      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3156      1.00000
      2     -21.9626      1.00000
      3     -21.8904      1.00000
      4     -21.3829      1.00000
      5     -21.3464      1.00000
      6     -20.8377      1.00000
      7     -20.7712      1.00000
      8     -20.6231      1.00000
      9     -20.0878      1.00000
     10     -20.0591      1.00000
     11     -19.7166      1.00000
     12     -19.6877      1.00000
     13     -19.0080      1.00000
     14     -18.9769      1.00000
     15     -18.6479      1.00000
     16     -18.6153      1.00000
     17     -18.4587      1.00000
     18     -17.6587      1.00000
     19     -17.6446      1.00000
     20     -17.6086      1.00000
     21     -17.5760      1.00000
     22     -17.1354      1.00000
     23     -17.0954      1.00000
     24     -16.9638      1.00000
     25     -16.0062      1.00000
     26     -15.9214      1.00000
     27     -15.5967      1.00000
     28     -15.5733      1.00000
     29     -15.2780      1.00000
     30     -14.8746      1.00000
     31     -14.8276      1.00000
     32     -14.5725      1.00000
     33     -14.5348      1.00000
     34     -14.1622      1.00000
     35     -14.1580      1.00000
     36     -13.1601      1.00000
     37     -13.0935      1.00000
     38     -13.0208      1.00000
     39     -13.0163      1.00000
     40     -12.7157      1.00000
     41     -12.6925      1.00000
     42     -12.3387      1.00000
     43     -12.3115      1.00000
     44     -11.6298      1.00000
     45     -11.6207      1.00000
     46     -11.5683      1.00000
     47     -10.9389      1.00000
     48     -10.9209      1.00000
     49     -10.6671      1.00000
     50     -10.5874      1.00000
     51     -10.5712      1.00000
     52     -10.4993      1.00000
     53     -10.4867      1.00000
     54     -10.4365      1.00000
     55     -10.3536      1.00000
     56     -10.1021      1.00000
     57      -9.8960      1.00000
     58      -9.6060      1.00000
     59      -9.5488      1.00000
     60      -9.4524      1.00000
     61      -9.4167      1.00000
     62      -9.4070      1.00000
     63      -9.3769      1.00000
     64      -9.3695      1.00000
     65      -9.2657      1.00000
     66      -9.1636      1.00000
     67      -9.1393      1.00000
     68      -9.1141      1.00000
     69      -8.8641      1.00000
     70      -8.8580      1.00000
     71      -8.8007      1.00000
     72      -8.5947      1.00000
     73      -8.5250      1.00000
     74      -8.1913      1.00000
     75      -8.1685      1.00000
     76      -8.0740      1.00000
     77      -7.8550      1.00000
     78      -7.8348      1.00000
     79      -7.8214      1.00000
     80      -7.7084      1.00000
     81      -7.6937      1.00000
     82      -7.5954      1.00000
     83      -7.5282      1.00000
     84      -7.3483      1.00000
     85      -7.1656      1.00000
     86      -6.9035      1.00000
     87      -6.8932      1.00000
     88      -6.5906      1.00000
     89      -6.5495      1.00000
     90      -6.4031      1.00000
     91      -6.3002      1.00000
     92      -6.2456      1.00000
     93      -6.1995      1.00000
     94      -6.0022      1.00000
     95      -5.5300      1.00000
     96      -5.4636      1.00000
     97      -5.3122      1.00000
     98      -5.2077      1.00000
     99      -5.0451      1.00000
    100      -4.7218      1.00000
    101      -4.6700      1.00000
    102      -4.4225      1.00000
    103      -4.1935      1.00000
    104      -3.8416      1.00000
    105      -3.6332      1.00000
    106      -3.4146      1.00000
    107      -2.2914      0.00000
    108      -1.5086      0.00000
    109      -1.2684      0.00000
    110      -1.2606      0.00000
    111      -1.0328      0.00000
    112      -0.9750      0.00000
    113      -0.8664      0.00000
    114      -0.7978      0.00000
    115      -0.2603      0.00000
    116       0.2056      0.00000
    117       0.2412      0.00000
    118       0.3624      0.00000
    119       0.7010      0.00000
    120       0.8968      0.00000
    121       0.9262      0.00000
    122       1.0483      0.00000
    123       1.1766      0.00000
    124       1.5175      0.00000
    125       1.5722      0.00000
    126       1.7147      0.00000
    127       1.7804      0.00000
    128       1.8260      0.00000
    129       1.9471      0.00000
    130       2.0003      0.00000
    131       2.1700      0.00000
    132       2.2752      0.00000
    133       2.4056      0.00000
    134       2.4295      0.00000
    135       2.4876      0.00000
    136       2.6032      0.00000
    137       2.6202      0.00000
    138       2.7111      0.00000
    139       2.7380      0.00000
    140       2.8706      0.00000
    141       3.0467      0.00000
    142       3.0727      0.00000
    143       3.1618      0.00000
    144       3.2084      0.00000
    145       3.2229      0.00000
    146       3.2842      0.00000
    147       3.3280      0.00000
    148       3.4528      0.00000
    149       3.5320      0.00000
    150       3.7003      0.00000
    151       3.7210      0.00000
    152       3.7484      0.00000
    153       3.8320      0.00000
    154       3.8711      0.00000
    155       3.9288      0.00000
    156       3.9694      0.00000
    157       3.9842      0.00000
    158       4.0137      0.00000
    159       4.0196      0.00000
    160       4.0804      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3878      1.00000
      2     -21.8290      1.00000
      3     -21.6396      1.00000
      4     -21.6046      1.00000
      5     -21.2770      1.00000
      6     -21.2300      1.00000
      7     -21.0545      1.00000
      8     -20.1696      1.00000
      9     -20.1234      1.00000
     10     -19.6155      1.00000
     11     -19.5886      1.00000
     12     -19.4136      1.00000
     13     -19.0929      1.00000
     14     -19.0542      1.00000
     15     -19.0497      1.00000
     16     -19.0364      1.00000
     17     -18.3652      1.00000
     18     -18.3448      1.00000
     19     -18.0145      1.00000
     20     -17.0703      1.00000
     21     -17.0215      1.00000
     22     -16.9477      1.00000
     23     -16.9336      1.00000
     24     -16.4726      1.00000
     25     -16.4612      1.00000
     26     -15.6078      1.00000
     27     -15.6073      1.00000
     28     -15.2484      1.00000
     29     -15.2355      1.00000
     30     -15.1888      1.00000
     31     -15.0990      1.00000
     32     -15.0655      1.00000
     33     -14.6968      1.00000
     34     -14.6953      1.00000
     35     -13.7234      1.00000
     36     -13.7228      1.00000
     37     -13.2325      1.00000
     38     -12.6220      1.00000
     39     -12.5772      1.00000
     40     -12.4523      1.00000
     41     -12.4466      1.00000
     42     -12.1038      1.00000
     43     -12.0981      1.00000
     44     -11.7201      1.00000
     45     -11.6816      1.00000
     46     -11.2435      1.00000
     47     -11.2222      1.00000
     48     -11.0151      1.00000
     49     -11.0031      1.00000
     50     -10.9260      1.00000
     51     -10.8975      1.00000
     52     -10.6355      1.00000
     53     -10.1696      1.00000
     54     -10.1467      1.00000
     55     -10.0815      1.00000
     56      -9.9903      1.00000
     57      -9.6940      1.00000
     58      -9.6878      1.00000
     59      -9.6685      1.00000
     60      -9.5894      1.00000
     61      -9.5659      1.00000
     62      -9.5519      1.00000
     63      -9.3102      1.00000
     64      -9.2973      1.00000
     65      -9.2812      1.00000
     66      -9.2417      1.00000
     67      -9.1202      1.00000
     68      -9.1096      1.00000
     69      -9.1083      1.00000
     70      -8.9377      1.00000
     71      -8.8742      1.00000
     72      -8.6031      1.00000
     73      -8.5851      1.00000
     74      -8.2694      1.00000
     75      -8.0979      1.00000
     76      -7.8665      1.00000
     77      -7.8417      1.00000
     78      -7.7888      1.00000
     79      -7.7624      1.00000
     80      -7.7526      1.00000
     81      -7.4456      1.00000
     82      -7.3320      1.00000
     83      -7.3196      1.00000
     84      -7.2640      1.00000
     85      -7.1607      1.00000
     86      -7.0141      1.00000
     87      -6.9843      1.00000
     88      -6.7156      1.00000
     89      -6.6888      1.00000
     90      -6.6298      1.00000
     91      -6.5885      1.00000
     92      -6.1139      1.00000
     93      -6.0575      1.00000
     94      -6.0427      1.00000
     95      -6.0274      1.00000
     96      -5.7462      1.00000
     97      -4.9731      1.00000
     98      -4.8378      1.00000
     99      -4.7072      1.00000
    100      -4.6720      1.00000
    101      -4.4822      1.00000
    102      -4.3512      1.00000
    103      -4.1098      1.00000
    104      -4.0540      1.00000
    105      -3.7536      1.00000
    106      -3.4643      1.00000
    107      -1.9505      0.00000
    108      -1.7695      0.00000
    109      -1.4783      0.00000
    110      -1.3539      0.00000
    111      -1.3338      0.00000
    112      -1.2899      0.00000
    113      -0.6761      0.00000
    114      -0.4704      0.00000
    115      -0.2346      0.00000
    116       0.0536      0.00000
    117       0.5989      0.00000
    118       0.6931      0.00000
    119       0.7719      0.00000
    120       1.0261      0.00000
    121       1.0990      0.00000
    122       1.1807      0.00000
    123       1.2546      0.00000
    124       1.3420      0.00000
    125       1.4451      0.00000
    126       1.6107      0.00000
    127       1.7382      0.00000
    128       1.8477      0.00000
    129       1.8572      0.00000
    130       1.8939      0.00000
    131       2.0401      0.00000
    132       2.2257      0.00000
    133       2.2487      0.00000
    134       2.2975      0.00000
    135       2.4799      0.00000
    136       2.5816      0.00000
    137       2.6357      0.00000
    138       2.7607      0.00000
    139       2.7698      0.00000
    140       2.8167      0.00000
    141       2.8394      0.00000
    142       2.8470      0.00000
    143       2.9168      0.00000
    144       3.1021      0.00000
    145       3.3014      0.00000
    146       3.3261      0.00000
    147       3.3694      0.00000
    148       3.3965      0.00000
    149       3.4077      0.00000
    150       3.5642      0.00000
    151       3.6059      0.00000
    152       3.6552      0.00000
    153       3.7282      0.00000
    154       3.8928      0.00000
    155       3.9227      0.00000
    156       3.9416      0.00000
    157       4.1018      0.00000
    158       4.1986      0.00000
    159       4.2279      0.00000
    160       4.2758      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2079      1.00000
      2     -22.1171      1.00000
      3     -21.9548      1.00000
      4     -21.4028      1.00000
      5     -21.0442      1.00000
      6     -21.0159      1.00000
      7     -20.4940      1.00000
      8     -20.4642      1.00000
      9     -20.2842      1.00000
     10     -20.2823      1.00000
     11     -19.9548      1.00000
     12     -19.8917      1.00000
     13     -18.8815      1.00000
     14     -18.8139      1.00000
     15     -18.3358      1.00000
     16     -18.3163      1.00000
     17     -18.1471      1.00000
     18     -18.1395      1.00000
     19     -17.8138      1.00000
     20     -17.7954      1.00000
     21     -17.2560      1.00000
     22     -17.2365      1.00000
     23     -17.1582      1.00000
     24     -17.1336      1.00000
     25     -16.1136      1.00000
     26     -15.8789      1.00000
     27     -15.8677      1.00000
     28     -15.8382      1.00000
     29     -15.2291      1.00000
     30     -14.5491      1.00000
     31     -14.5308      1.00000
     32     -14.2738      1.00000
     33     -13.9724      1.00000
     34     -13.9486      1.00000
     35     -13.8220      1.00000
     36     -13.8001      1.00000
     37     -13.6023      1.00000
     38     -13.5768      1.00000
     39     -13.3678      1.00000
     40     -12.6360      1.00000
     41     -12.1672      1.00000
     42     -12.1406      1.00000
     43     -12.0664      1.00000
     44     -12.0195      1.00000
     45     -11.6619      1.00000
     46     -11.6573      1.00000
     47     -11.1348      1.00000
     48     -11.1239      1.00000
     49     -10.7891      1.00000
     50     -10.7327      1.00000
     51     -10.5342      1.00000
     52     -10.2056      1.00000
     53     -10.1996      1.00000
     54     -10.1685      1.00000
     55     -10.0202      1.00000
     56      -9.9922      1.00000
     57      -9.9874      1.00000
     58      -9.8025      1.00000
     59      -9.7933      1.00000
     60      -9.7619      1.00000
     61      -9.7546      1.00000
     62      -9.4531      1.00000
     63      -9.4156      1.00000
     64      -9.0822      1.00000
     65      -9.0432      1.00000
     66      -9.0235      1.00000
     67      -8.9687      1.00000
     68      -8.8961      1.00000
     69      -8.7054      1.00000
     70      -8.6965      1.00000
     71      -8.5588      1.00000
     72      -8.5481      1.00000
     73      -8.4760      1.00000
     74      -8.4575      1.00000
     75      -8.4547      1.00000
     76      -8.3068      1.00000
     77      -8.0932      1.00000
     78      -8.0874      1.00000
     79      -7.9233      1.00000
     80      -7.8297      1.00000
     81      -7.5990      1.00000
     82      -7.5362      1.00000
     83      -7.4413      1.00000
     84      -7.3124      1.00000
     85      -6.9903      1.00000
     86      -6.9160      1.00000
     87      -6.8785      1.00000
     88      -6.5269      1.00000
     89      -6.5132      1.00000
     90      -6.4795      1.00000
     91      -6.4186      1.00000
     92      -5.9251      1.00000
     93      -5.9038      1.00000
     94      -5.7871      1.00000
     95      -5.7728      1.00000
     96      -5.3679      1.00000
     97      -5.3609      1.00000
     98      -5.2189      1.00000
     99      -5.2135      1.00000
    100      -5.1966      1.00000
    101      -4.7187      1.00000
    102      -4.4410      1.00000
    103      -4.1896      1.00000
    104      -3.8192      1.00000
    105      -3.5646      1.00000
    106      -3.2192      1.00000
    107      -2.5616      0.00000
    108      -1.4626      0.00000
    109      -1.2642      0.00000
    110      -1.1840      0.00000
    111      -1.1825      0.00000
    112      -0.6434      0.00000
    113      -0.5494      0.00000
    114      -0.4134      0.00000
    115      -0.3458      0.00000
    116      -0.0754      0.00000
    117      -0.0609      0.00000
    118       0.1283      0.00000
    119       0.5942      0.00000
    120       0.6286      0.00000
    121       0.8657      0.00000
    122       0.9971      0.00000
    123       1.0121      0.00000
    124       1.5015      0.00000
    125       1.6906      0.00000
    126       1.7842      0.00000
    127       1.8715      0.00000
    128       2.0877      0.00000
    129       2.1196      0.00000
    130       2.1727      0.00000
    131       2.2116      0.00000
    132       2.2495      0.00000
    133       2.3263      0.00000
    134       2.4854      0.00000
    135       2.5045      0.00000
    136       2.6727      0.00000
    137       2.8545      0.00000
    138       2.8625      0.00000
    139       2.9585      0.00000
    140       2.9663      0.00000
    141       3.0231      0.00000
    142       3.1449      0.00000
    143       3.1455      0.00000
    144       3.2259      0.00000
    145       3.2521      0.00000
    146       3.2819      0.00000
    147       3.3105      0.00000
    148       3.3630      0.00000
    149       3.4222      0.00000
    150       3.5532      0.00000
    151       3.5687      0.00000
    152       3.6457      0.00000
    153       3.6467      0.00000
    154       3.6673      0.00000
    155       3.6973      0.00000
    156       3.9072      0.00000
    157       3.9374      0.00000
    158       4.0405      0.00000
    159       4.0922      0.00000
    160       4.1946      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2814      1.00000
      2     -22.0768      1.00000
      3     -21.7184      1.00000
      4     -21.6792      1.00000
      5     -20.9809      1.00000
      6     -20.9332      1.00000
      7     -20.6094      1.00000
      8     -20.5773      1.00000
      9     -20.5637      1.00000
     10     -20.0302      1.00000
     11     -19.5119      1.00000
     12     -19.4812      1.00000
     13     -19.3098      1.00000
     14     -19.2962      1.00000
     15     -18.4476      1.00000
     16     -18.4044      1.00000
     17     -17.9259      1.00000
     18     -17.9050      1.00000
     19     -17.7639      1.00000
     20     -17.7188      1.00000
     21     -17.4398      1.00000
     22     -17.4209      1.00000
     23     -17.3361      1.00000
     24     -16.4687      1.00000
     25     -16.4591      1.00000
     26     -15.9676      1.00000
     27     -15.4093      1.00000
     28     -15.4081      1.00000
     29     -15.0940      1.00000
     30     -15.0913      1.00000
     31     -14.8516      1.00000
     32     -14.8385      1.00000
     33     -14.2954      1.00000
     34     -14.2512      1.00000
     35     -13.4419      1.00000
     36     -13.3975      1.00000
     37     -13.1736      1.00000
     38     -13.1716      1.00000
     39     -12.9831      1.00000
     40     -12.9738      1.00000
     41     -12.6092      1.00000
     42     -12.6065      1.00000
     43     -12.1939      1.00000
     44     -11.5781      1.00000
     45     -11.5370      1.00000
     46     -11.3118      1.00000
     47     -11.2816      1.00000
     48     -11.1390      1.00000
     49     -10.6909      1.00000
     50     -10.6608      1.00000
     51     -10.5454      1.00000
     52     -10.3197      1.00000
     53     -10.3117      1.00000
     54     -10.1738      1.00000
     55     -10.1192      1.00000
     56     -10.1064      1.00000
     57      -9.8094      1.00000
     58      -9.7497      1.00000
     59      -9.7495      1.00000
     60      -9.6991      1.00000
     61      -9.6958      1.00000
     62      -9.6449      1.00000
     63      -9.3497      1.00000
     64      -9.3485      1.00000
     65      -9.3167      1.00000
     66      -9.0261      1.00000
     67      -8.9589      1.00000
     68      -8.9555      1.00000
     69      -8.7735      1.00000
     70      -8.5906      1.00000
     71      -8.5866      1.00000
     72      -8.4220      1.00000
     73      -8.3477      1.00000
     74      -8.3206      1.00000
     75      -8.3002      1.00000
     76      -8.2637      1.00000
     77      -8.2530      1.00000
     78      -8.2378      1.00000
     79      -7.9196      1.00000
     80      -7.7320      1.00000
     81      -7.3765      1.00000
     82      -7.3461      1.00000
     83      -7.3216      1.00000
     84      -7.2138      1.00000
     85      -7.1581      1.00000
     86      -7.0633      1.00000
     87      -6.9585      1.00000
     88      -6.9033      1.00000
     89      -6.6128      1.00000
     90      -6.5528      1.00000
     91      -6.2705      1.00000
     92      -5.9946      1.00000
     93      -5.9578      1.00000
     94      -5.6733      1.00000
     95      -5.6466      1.00000
     96      -5.3856      1.00000
     97      -5.3136      1.00000
     98      -5.2922      1.00000
     99      -5.2100      1.00000
    100      -5.1983      1.00000
    101      -4.5103      1.00000
    102      -4.3378      1.00000
    103      -3.9944      1.00000
    104      -3.8844      1.00000
    105      -3.7915      1.00000
    106      -3.4420      1.00000
    107      -2.0345      0.00000
    108      -1.8616      0.00000
    109      -1.2165      0.00000
    110      -1.1811      0.00000
    111      -1.0346      0.00000
    112      -0.7710      0.00000
    113      -0.6753      0.00000
    114      -0.6586      0.00000
    115      -0.6073      0.00000
    116      -0.0998      0.00000
    117       0.2249      0.00000
    118       0.2423      0.00000
    119       0.7812      0.00000
    120       0.9938      0.00000
    121       1.0765      0.00000
    122       1.2452      0.00000
    123       1.2541      0.00000
    124       1.3493      0.00000
    125       1.5833      0.00000
    126       1.5863      0.00000
    127       1.7156      0.00000
    128       1.7906      0.00000
    129       1.9600      0.00000
    130       1.9770      0.00000
    131       2.0403      0.00000
    132       2.2520      0.00000
    133       2.3421      0.00000
    134       2.4283      0.00000
    135       2.5516      0.00000
    136       2.6308      0.00000
    137       2.7123      0.00000
    138       2.7786      0.00000
    139       2.8508      0.00000
    140       2.8533      0.00000
    141       3.0221      0.00000
    142       3.1103      0.00000
    143       3.1668      0.00000
    144       3.2167      0.00000
    145       3.3757      0.00000
    146       3.4153      0.00000
    147       3.4971      0.00000
    148       3.5323      0.00000
    149       3.5931      0.00000
    150       3.5981      0.00000
    151       3.6451      0.00000
    152       3.7393      0.00000
    153       3.7416      0.00000
    154       3.7560      0.00000
    155       3.7633      0.00000
    156       3.8734      0.00000
    157       4.0171      0.00000
    158       4.0923      0.00000
    159       4.1720      0.00000
    160       4.2165      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4245      1.00000
      2     -21.6014      1.00000
      3     -21.4796      1.00000
      4     -21.4705      1.00000
      5     -21.4389      1.00000
      6     -21.4382      1.00000
      7     -21.4278      1.00000
      8     -19.7057      1.00000
      9     -19.6506      1.00000
     10     -19.6272      1.00000
     11     -19.6166      1.00000
     12     -19.6114      1.00000
     13     -19.6097      1.00000
     14     -18.7883      1.00000
     15     -18.7524      1.00000
     16     -18.7326      1.00000
     17     -18.7232      1.00000
     18     -18.7158      1.00000
     19     -18.7114      1.00000
     20     -16.6326      1.00000
     21     -16.6069      1.00000
     22     -16.5828      1.00000
     23     -16.5794      1.00000
     24     -16.5522      1.00000
     25     -16.5507      1.00000
     26     -15.6121      1.00000
     27     -15.6010      1.00000
     28     -15.5971      1.00000
     29     -15.5624      1.00000
     30     -15.5609      1.00000
     31     -15.5586      1.00000
     32     -14.2573      1.00000
     33     -14.2480      1.00000
     34     -14.2390      1.00000
     35     -14.2342      1.00000
     36     -14.2197      1.00000
     37     -14.2173      1.00000
     38     -11.9038      1.00000
     39     -11.8772      1.00000
     40     -11.8667      1.00000
     41     -11.8626      1.00000
     42     -11.8422      1.00000
     43     -11.8421      1.00000
     44     -11.7686      1.00000
     45     -11.7666      1.00000
     46     -11.7327      1.00000
     47     -11.7264      1.00000
     48     -11.7234      1.00000
     49     -11.7199      1.00000
     50     -10.6745      1.00000
     51     -10.3857      1.00000
     52     -10.3819      1.00000
     53     -10.3746      1.00000
     54     -10.3658      1.00000
     55     -10.3539      1.00000
     56     -10.3512      1.00000
     57      -9.9024      1.00000
     58      -9.4488      1.00000
     59      -9.4036      1.00000
     60      -9.3605      1.00000
     61      -9.3599      1.00000
     62      -9.3520      1.00000
     63      -9.1397      1.00000
     64      -9.1212      1.00000
     65      -9.1185      1.00000
     66      -9.0834      1.00000
     67      -9.0691      1.00000
     68      -9.0681      1.00000
     69      -9.0670      1.00000
     70      -9.0624      1.00000
     71      -9.0623      1.00000
     72      -9.0359      1.00000
     73      -9.0258      1.00000
     74      -9.0241      1.00000
     75      -8.1282      1.00000
     76      -7.7447      1.00000
     77      -7.4678      1.00000
     78      -7.4638      1.00000
     79      -7.4513      1.00000
     80      -7.4322      1.00000
     81      -7.4221      1.00000
     82      -7.4033      1.00000
     83      -7.3106      1.00000
     84      -7.2694      1.00000
     85      -7.2556      1.00000
     86      -7.2466      1.00000
     87      -7.1483      1.00000
     88      -7.0469      1.00000
     89      -6.4444      1.00000
     90      -6.4137      1.00000
     91      -6.3982      1.00000
     92      -6.3616      1.00000
     93      -6.3513      1.00000
     94      -6.3386      1.00000
     95      -5.9579      1.00000
     96      -5.9543      1.00000
     97      -4.8050      1.00000
     98      -4.5430      1.00000
     99      -4.4797      1.00000
    100      -4.4730      1.00000
    101      -4.3806      1.00000
    102      -4.3799      1.00000
    103      -4.2658      1.00000
    104      -4.1860      1.00000
    105      -3.7378      1.00000
    106      -3.4765      1.00000
    107      -1.8621      0.00000
    108      -1.6685      0.00000
    109      -1.6217      0.00000
    110      -1.5894      0.00000
    111      -1.5740      0.00000
    112      -1.5731      0.00000
    113      -0.4277      0.00000
    114       0.1487      0.00000
    115       0.1927      0.00000
    116       0.2564      0.00000
    117       0.2696      0.00000
    118       0.2731      0.00000
    119       0.4794      0.00000
    120       0.5597      0.00000
    121       1.2562      0.00000
    122       1.2937      0.00000
    123       1.5448      0.00000
    124       1.7579      0.00000
    125       1.7820      0.00000
    126       1.7848      0.00000
    127       1.7859      0.00000
    128       1.8342      0.00000
    129       1.9590      0.00000
    130       1.9730      0.00000
    131       1.9768      0.00000
    132       1.9909      0.00000
    133       1.9980      0.00000
    134       2.0904      0.00000
    135       2.2670      0.00000
    136       2.3382      0.00000
    137       2.6263      0.00000
    138       2.6292      0.00000
    139       2.6600      0.00000
    140       2.6894      0.00000
    141       2.9387      0.00000
    142       3.0120      0.00000
    143       3.0139      0.00000
    144       3.0374      0.00000
    145       3.0399      0.00000
    146       3.0410      0.00000
    147       3.0786      0.00000
    148       3.2761      0.00000
    149       3.4300      0.00000
    150       3.5038      0.00000
    151       3.8015      0.00000
    152       3.9159      0.00000
    153       3.9190      0.00000
    154       3.9191      0.00000
    155       3.9404      0.00000
    156       3.9918      0.00000
    157       4.1830      0.00000
    158       4.2682      0.00000
    159       4.2712      0.00000
    160       4.2898      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3878      1.00000
      2     -21.8287      1.00000
      3     -21.6363      1.00000
      4     -21.6086      1.00000
      5     -21.2728      1.00000
      6     -21.2334      1.00000
      7     -21.0550      1.00000
      8     -20.1658      1.00000
      9     -20.1276      1.00000
     10     -19.6068      1.00000
     11     -19.5954      1.00000
     12     -19.4154      1.00000
     13     -19.0877      1.00000
     14     -19.0583      1.00000
     15     -19.0470      1.00000
     16     -19.0391      1.00000
     17     -18.3588      1.00000
     18     -18.3500      1.00000
     19     -18.0171      1.00000
     20     -17.0672      1.00000
     21     -17.0285      1.00000
     22     -16.9420      1.00000
     23     -16.9379      1.00000
     24     -16.4658      1.00000
     25     -16.4613      1.00000
     26     -15.6113      1.00000
     27     -15.6056      1.00000
     28     -15.2504      1.00000
     29     -15.2413      1.00000
     30     -15.1830      1.00000
     31     -15.0965      1.00000
     32     -15.0690      1.00000
     33     -14.6964      1.00000
     34     -14.6941      1.00000
     35     -13.7245      1.00000
     36     -13.7214      1.00000
     37     -13.2340      1.00000
     38     -12.6127      1.00000
     39     -12.5820      1.00000
     40     -12.4525      1.00000
     41     -12.4483      1.00000
     42     -12.1073      1.00000
     43     -12.1019      1.00000
     44     -11.7146      1.00000
     45     -11.6837      1.00000
     46     -11.2329      1.00000
     47     -11.2241      1.00000
     48     -11.0159      1.00000
     49     -11.0077      1.00000
     50     -10.9239      1.00000
     51     -10.9028      1.00000
     52     -10.6295      1.00000
     53     -10.1534      1.00000
     54     -10.1487      1.00000
     55     -10.0903      1.00000
     56      -9.9969      1.00000
     57      -9.7000      1.00000
     58      -9.6936      1.00000
     59      -9.6538      1.00000
     60      -9.5903      1.00000
     61      -9.5735      1.00000
     62      -9.5570      1.00000
     63      -9.3055      1.00000
     64      -9.3011      1.00000
     65      -9.2722      1.00000
     66      -9.2338      1.00000
     67      -9.1349      1.00000
     68      -9.1140      1.00000
     69      -9.1085      1.00000
     70      -8.9378      1.00000
     71      -8.8693      1.00000
     72      -8.6014      1.00000
     73      -8.5887      1.00000
     74      -8.2348      1.00000
     75      -8.0991      1.00000
     76      -7.9117      1.00000
     77      -7.8609      1.00000
     78      -7.7704      1.00000
     79      -7.7543      1.00000
     80      -7.6901      1.00000
     81      -7.5589      1.00000
     82      -7.3378      1.00000
     83      -7.3203      1.00000
     84      -7.2026      1.00000
     85      -7.1212      1.00000
     86      -7.0300      1.00000
     87      -7.0093      1.00000
     88      -6.7026      1.00000
     89      -6.6760      1.00000
     90      -6.6389      1.00000
     91      -6.5959      1.00000
     92      -6.1147      1.00000
     93      -6.0599      1.00000
     94      -6.0285      1.00000
     95      -6.0095      1.00000
     96      -5.7813      1.00000
     97      -4.9728      1.00000
     98      -4.8305      1.00000
     99      -4.7451      1.00000
    100      -4.6777      1.00000
    101      -4.4675      1.00000
    102      -4.2023      1.00000
    103      -4.1706      1.00000
    104      -4.1261      1.00000
    105      -3.7282      1.00000
    106      -3.4868      1.00000
    107      -1.8694      0.00000
    108      -1.8066      0.00000
    109      -1.5233      0.00000
    110      -1.3749      0.00000
    111      -1.3202      0.00000
    112      -1.2862      0.00000
    113      -0.7189      0.00000
    114      -0.3747      0.00000
    115      -0.2475      0.00000
    116       0.0388      0.00000
    117       0.5655      0.00000
    118       0.7023      0.00000
    119       0.7485      0.00000
    120       1.0508      0.00000
    121       1.1011      0.00000
    122       1.1554      0.00000
    123       1.2302      0.00000
    124       1.3854      0.00000
    125       1.5320      0.00000
    126       1.5957      0.00000
    127       1.7177      0.00000
    128       1.7874      0.00000
    129       1.8581      0.00000
    130       1.8851      0.00000
    131       2.1003      0.00000
    132       2.2012      0.00000
    133       2.2476      0.00000
    134       2.3153      0.00000
    135       2.5183      0.00000
    136       2.5864      0.00000
    137       2.6015      0.00000
    138       2.7613      0.00000
    139       2.7909      0.00000
    140       2.8098      0.00000
    141       2.8237      0.00000
    142       2.8876      0.00000
    143       2.9289      0.00000
    144       3.0946      0.00000
    145       3.1598      0.00000
    146       3.3013      0.00000
    147       3.3341      0.00000
    148       3.3898      0.00000
    149       3.4505      0.00000
    150       3.5824      0.00000
    151       3.6217      0.00000
    152       3.6416      0.00000
    153       3.6953      0.00000
    154       3.8971      0.00000
    155       3.9541      0.00000
    156       4.0173      0.00000
    157       4.0659      0.00000
    158       4.2134      0.00000
    159       4.2370      0.00000
    160       4.2751      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2818      1.00000
      2     -22.0762      1.00000
      3     -21.7148      1.00000
      4     -21.6830      1.00000
      5     -20.9776      1.00000
      6     -20.9370      1.00000
      7     -20.6100      1.00000
      8     -20.5732      1.00000
      9     -20.5672      1.00000
     10     -20.0308      1.00000
     11     -19.5016      1.00000
     12     -19.4896      1.00000
     13     -19.3050      1.00000
     14     -19.2994      1.00000
     15     -18.4458      1.00000
     16     -18.4091      1.00000
     17     -17.9205      1.00000
     18     -17.9107      1.00000
     19     -17.7597      1.00000
     20     -17.7240      1.00000
     21     -17.4341      1.00000
     22     -17.4263      1.00000
     23     -17.3389      1.00000
     24     -16.4607      1.00000
     25     -16.4597      1.00000
     26     -15.9653      1.00000
     27     -15.4117      1.00000
     28     -15.4070      1.00000
     29     -15.0941      1.00000
     30     -15.0912      1.00000
     31     -14.8531      1.00000
     32     -14.8449      1.00000
     33     -14.2888      1.00000
     34     -14.2554      1.00000
     35     -13.4352      1.00000
     36     -13.4021      1.00000
     37     -13.1755      1.00000
     38     -13.1715      1.00000
     39     -12.9800      1.00000
     40     -12.9749      1.00000
     41     -12.6112      1.00000
     42     -12.6070      1.00000
     43     -12.1961      1.00000
     44     -11.5738      1.00000
     45     -11.5402      1.00000
     46     -11.3079      1.00000
     47     -11.2853      1.00000
     48     -11.1404      1.00000
     49     -10.6736      1.00000
     50     -10.6590      1.00000
     51     -10.5515      1.00000
     52     -10.3221      1.00000
     53     -10.3151      1.00000
     54     -10.1674      1.00000
     55     -10.1135      1.00000
     56     -10.1101      1.00000
     57      -9.7963      1.00000
     58      -9.7638      1.00000
     59      -9.7494      1.00000
     60      -9.6973      1.00000
     61      -9.6956      1.00000
     62      -9.6602      1.00000
     63      -9.3533      1.00000
     64      -9.3486      1.00000
     65      -9.3126      1.00000
     66      -9.0392      1.00000
     67      -8.9609      1.00000
     68      -8.9467      1.00000
     69      -8.7977      1.00000
     70      -8.5922      1.00000
     71      -8.5557      1.00000
     72      -8.3965      1.00000
     73      -8.3632      1.00000
     74      -8.3219      1.00000
     75      -8.3050      1.00000
     76      -8.2562      1.00000
     77      -8.2548      1.00000
     78      -8.2334      1.00000
     79      -7.9029      1.00000
     80      -7.6493      1.00000
     81      -7.5477      1.00000
     82      -7.3854      1.00000
     83      -7.3472      1.00000
     84      -7.2295      1.00000
     85      -7.0946      1.00000
     86      -7.0365      1.00000
     87      -6.9321      1.00000
     88      -6.8460      1.00000
     89      -6.6095      1.00000
     90      -6.5574      1.00000
     91      -6.2667      1.00000
     92      -6.0419      1.00000
     93      -5.9498      1.00000
     94      -5.6608      1.00000
     95      -5.6209      1.00000
     96      -5.4613      1.00000
     97      -5.3181      1.00000
     98      -5.2769      1.00000
     99      -5.2118      1.00000
    100      -5.1922      1.00000
    101      -4.5073      1.00000
    102      -4.2066      1.00000
    103      -4.0580      1.00000
    104      -3.9873      1.00000
    105      -3.6930      1.00000
    106      -3.4971      1.00000
    107      -1.9443      0.00000
    108      -1.8945      0.00000
    109      -1.3382      0.00000
    110      -1.0836      0.00000
    111      -1.0556      0.00000
    112      -0.7992      0.00000
    113      -0.6751      0.00000
    114      -0.6457      0.00000
    115      -0.6055      0.00000
    116      -0.1065      0.00000
    117       0.2172      0.00000
    118       0.3309      0.00000
    119       0.7043      0.00000
    120       0.8968      0.00000
    121       1.1311      0.00000
    122       1.2015      0.00000
    123       1.3350      0.00000
    124       1.4312      0.00000
    125       1.5590      0.00000
    126       1.5792      0.00000
    127       1.6931      0.00000
    128       1.8042      0.00000
    129       1.8819      0.00000
    130       2.0539      0.00000
    131       2.0955      0.00000
    132       2.2926      0.00000
    133       2.3549      0.00000
    134       2.4091      0.00000
    135       2.5573      0.00000
    136       2.6322      0.00000
    137       2.7062      0.00000
    138       2.7358      0.00000
    139       2.7737      0.00000
    140       2.8679      0.00000
    141       3.0268      0.00000
    142       3.0637      0.00000
    143       3.1693      0.00000
    144       3.2667      0.00000
    145       3.3675      0.00000
    146       3.4174      0.00000
    147       3.4340      0.00000
    148       3.5491      0.00000
    149       3.5692      0.00000
    150       3.5925      0.00000
    151       3.6592      0.00000
    152       3.6772      0.00000
    153       3.7510      0.00000
    154       3.7573      0.00000
    155       3.8055      0.00000
    156       3.8888      0.00000
    157       3.9279      0.00000
    158       3.9933      0.00000
    159       4.2082      0.00000
    160       4.2235      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3158      1.00000
      2     -21.9611      1.00000
      3     -21.8918      1.00000
      4     -21.3791      1.00000
      5     -21.3499      1.00000
      6     -20.8380      1.00000
      7     -20.7726      1.00000
      8     -20.6224      1.00000
      9     -20.0755      1.00000
     10     -20.0701      1.00000
     11     -19.7150      1.00000
     12     -19.6905      1.00000
     13     -18.9944      1.00000
     14     -18.9889      1.00000
     15     -18.6386      1.00000
     16     -18.6227      1.00000
     17     -18.4604      1.00000
     18     -17.6734      1.00000
     19     -17.6231      1.00000
     20     -17.6203      1.00000
     21     -17.5784      1.00000
     22     -17.1246      1.00000
     23     -17.1029      1.00000
     24     -16.9601      1.00000
     25     -15.9999      1.00000
     26     -15.9267      1.00000
     27     -15.5839      1.00000
     28     -15.5837      1.00000
     29     -15.2842      1.00000
     30     -14.8625      1.00000
     31     -14.8350      1.00000
     32     -14.5773      1.00000
     33     -14.5353      1.00000
     34     -14.1658      1.00000
     35     -14.1524      1.00000
     36     -13.1467      1.00000
     37     -13.0990      1.00000
     38     -13.0279      1.00000
     39     -13.0176      1.00000
     40     -12.7073      1.00000
     41     -12.7034      1.00000
     42     -12.3391      1.00000
     43     -12.3079      1.00000
     44     -11.6332      1.00000
     45     -11.6195      1.00000
     46     -11.5690      1.00000
     47     -10.9468      1.00000
     48     -10.9138      1.00000
     49     -10.6310      1.00000
     50     -10.6232      1.00000
     51     -10.5457      1.00000
     52     -10.4971      1.00000
     53     -10.4969      1.00000
     54     -10.4386      1.00000
     55     -10.3592      1.00000
     56     -10.0977      1.00000
     57      -9.9017      1.00000
     58      -9.6076      1.00000
     59      -9.5550      1.00000
     60      -9.4504      1.00000
     61      -9.4094      1.00000
     62      -9.4030      1.00000
     63      -9.3758      1.00000
     64      -9.3758      1.00000
     65      -9.2856      1.00000
     66      -9.1656      1.00000
     67      -9.1402      1.00000
     68      -9.1112      1.00000
     69      -8.8619      1.00000
     70      -8.8544      1.00000
     71      -8.8134      1.00000
     72      -8.5951      1.00000
     73      -8.4783      1.00000
     74      -8.1959      1.00000
     75      -8.1605      1.00000
     76      -8.0069      1.00000
     77      -7.9625      1.00000
     78      -7.8499      1.00000
     79      -7.8391      1.00000
     80      -7.7023      1.00000
     81      -7.6951      1.00000
     82      -7.6201      1.00000
     83      -7.4469      1.00000
     84      -7.2985      1.00000
     85      -7.2513      1.00000
     86      -6.9038      1.00000
     87      -6.8901      1.00000
     88      -6.5866      1.00000
     89      -6.5493      1.00000
     90      -6.4058      1.00000
     91      -6.2518      1.00000
     92      -6.2309      1.00000
     93      -6.2015      1.00000
     94      -6.0211      1.00000
     95      -5.5480      1.00000
     96      -5.4870      1.00000
     97      -5.3485      1.00000
     98      -5.2176      1.00000
     99      -4.9780      1.00000
    100      -4.7311      1.00000
    101      -4.6763      1.00000
    102      -4.3859      1.00000
    103      -4.2019      1.00000
    104      -3.8697      1.00000
    105      -3.5451      1.00000
    106      -3.5092      1.00000
    107      -2.2538      0.00000
    108      -1.4562      0.00000
    109      -1.3684      0.00000
    110      -1.2398      0.00000
    111      -1.0965      0.00000
    112      -0.9440      0.00000
    113      -0.8625      0.00000
    114      -0.8021      0.00000
    115      -0.1379      0.00000
    116       0.1141      0.00000
    117       0.2428      0.00000
    118       0.3795      0.00000
    119       0.6624      0.00000
    120       0.8383      0.00000
    121       0.9384      0.00000
    122       1.0720      0.00000
    123       1.2447      0.00000
    124       1.4537      0.00000
    125       1.5650      0.00000
    126       1.7679      0.00000
    127       1.7903      0.00000
    128       1.8550      0.00000
    129       1.9865      0.00000
    130       2.0399      0.00000
    131       2.1817      0.00000
    132       2.1907      0.00000
    133       2.4019      0.00000
    134       2.4190      0.00000
    135       2.4918      0.00000
    136       2.6066      0.00000
    137       2.6347      0.00000
    138       2.7075      0.00000
    139       2.7576      0.00000
    140       2.8443      0.00000
    141       2.9605      0.00000
    142       3.0728      0.00000
    143       3.1648      0.00000
    144       3.1939      0.00000
    145       3.2284      0.00000
    146       3.2861      0.00000
    147       3.3148      0.00000
    148       3.4646      0.00000
    149       3.5144      0.00000
    150       3.6998      0.00000
    151       3.7204      0.00000
    152       3.7269      0.00000
    153       3.8663      0.00000
    154       3.8917      0.00000
    155       3.9371      0.00000
    156       3.9658      0.00000
    157       3.9868      0.00000
    158       4.0265      0.00000
    159       4.0280      0.00000
    160       4.0444      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2088      1.00000
      2     -22.1158      1.00000
      3     -21.9550      1.00000
      4     -21.4026      1.00000
      5     -21.0481      1.00000
      6     -21.0121      1.00000
      7     -20.4990      1.00000
      8     -20.4594      1.00000
      9     -20.2931      1.00000
     10     -20.2739      1.00000
     11     -19.9557      1.00000
     12     -19.8899      1.00000
     13     -18.8806      1.00000
     14     -18.8118      1.00000
     15     -18.3511      1.00000
     16     -18.3048      1.00000
     17     -18.1512      1.00000
     18     -18.1340      1.00000
     19     -17.8249      1.00000
     20     -17.7874      1.00000
     21     -17.2499      1.00000
     22     -17.2398      1.00000
     23     -17.1628      1.00000
     24     -17.1310      1.00000
     25     -16.1085      1.00000
     26     -15.8833      1.00000
     27     -15.8684      1.00000
     28     -15.8321      1.00000
     29     -15.2345      1.00000
     30     -14.5530      1.00000
     31     -14.5251      1.00000
     32     -14.2781      1.00000
     33     -13.9623      1.00000
     34     -13.9547      1.00000
     35     -13.8186      1.00000
     36     -13.8028      1.00000
     37     -13.6125      1.00000
     38     -13.5688      1.00000
     39     -13.3680      1.00000
     40     -12.6328      1.00000
     41     -12.1788      1.00000
     42     -12.1309      1.00000
     43     -12.0697      1.00000
     44     -12.0175      1.00000
     45     -11.6682      1.00000
     46     -11.6546      1.00000
     47     -11.1368      1.00000
     48     -11.1163      1.00000
     49     -10.7922      1.00000
     50     -10.7287      1.00000
     51     -10.5275      1.00000
     52     -10.2077      1.00000
     53     -10.2031      1.00000
     54     -10.1629      1.00000
     55     -10.0162      1.00000
     56     -10.0025      1.00000
     57      -9.9887      1.00000
     58      -9.7995      1.00000
     59      -9.7958      1.00000
     60      -9.7605      1.00000
     61      -9.7555      1.00000
     62      -9.4520      1.00000
     63      -9.4157      1.00000
     64      -9.0786      1.00000
     65      -9.0711      1.00000
     66      -9.0388      1.00000
     67      -8.9529      1.00000
     68      -8.8755      1.00000
     69      -8.7105      1.00000
     70      -8.6980      1.00000
     71      -8.5633      1.00000
     72      -8.5404      1.00000
     73      -8.4973      1.00000
     74      -8.4614      1.00000
     75      -8.4505      1.00000
     76      -8.2586      1.00000
     77      -8.1236      1.00000
     78      -8.0416      1.00000
     79      -7.9143      1.00000
     80      -7.8615      1.00000
     81      -7.6129      1.00000
     82      -7.5462      1.00000
     83      -7.4875      1.00000
     84      -7.2660      1.00000
     85      -6.9941      1.00000
     86      -6.9215      1.00000
     87      -6.8808      1.00000
     88      -6.5297      1.00000
     89      -6.4844      1.00000
     90      -6.4592      1.00000
     91      -6.4083      1.00000
     92      -5.9820      1.00000
     93      -5.8956      1.00000
     94      -5.7825      1.00000
     95      -5.7578      1.00000
     96      -5.4302      1.00000
     97      -5.3276      1.00000
     98      -5.2281      1.00000
     99      -5.2157      1.00000
    100      -5.1868      1.00000
    101      -4.6907      1.00000
    102      -4.4200      1.00000
    103      -4.2085      1.00000
    104      -3.8329      1.00000
    105      -3.5283      1.00000
    106      -3.2727      1.00000
    107      -2.5291      0.00000
    108      -1.4575      0.00000
    109      -1.2643      0.00000
    110      -1.2013      0.00000
    111      -1.1705      0.00000
    112      -0.7187      0.00000
    113      -0.5019      0.00000
    114      -0.4105      0.00000
    115      -0.3373      0.00000
    116      -0.1445      0.00000
    117      -0.0014      0.00000
    118       0.1960      0.00000
    119       0.5642      0.00000
    120       0.6144      0.00000
    121       0.8051      0.00000
    122       0.9180      0.00000
    123       1.1436      0.00000
    124       1.5055      0.00000
    125       1.6421      0.00000
    126       1.8678      0.00000
    127       1.9346      0.00000
    128       2.0912      0.00000
    129       2.1124      0.00000
    130       2.1285      0.00000
    131       2.1622      0.00000
    132       2.2819      0.00000
    133       2.3081      0.00000
    134       2.4522      0.00000
    135       2.5757      0.00000
    136       2.6629      0.00000
    137       2.8612      0.00000
    138       2.8732      0.00000
    139       2.9009      0.00000
    140       2.9790      0.00000
    141       3.0074      0.00000
    142       3.1335      0.00000
    143       3.1500      0.00000
    144       3.2118      0.00000
    145       3.2695      0.00000
    146       3.2919      0.00000
    147       3.3078      0.00000
    148       3.3539      0.00000
    149       3.4314      0.00000
    150       3.4473      0.00000
    151       3.5551      0.00000
    152       3.6117      0.00000
    153       3.6563      0.00000
    154       3.6954      0.00000
    155       3.7861      0.00000
    156       3.9028      0.00000
    157       3.9207      0.00000
    158       4.0071      0.00000
    159       4.1476      0.00000
    160       4.2287      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3156      1.00000
      2     -21.9626      1.00000
      3     -21.8904      1.00000
      4     -21.3829      1.00000
      5     -21.3464      1.00000
      6     -20.8377      1.00000
      7     -20.7712      1.00000
      8     -20.6231      1.00000
      9     -20.0878      1.00000
     10     -20.0591      1.00000
     11     -19.7166      1.00000
     12     -19.6877      1.00000
     13     -19.0080      1.00000
     14     -18.9769      1.00000
     15     -18.6479      1.00000
     16     -18.6153      1.00000
     17     -18.4587      1.00000
     18     -17.6587      1.00000
     19     -17.6446      1.00000
     20     -17.6086      1.00000
     21     -17.5760      1.00000
     22     -17.1354      1.00000
     23     -17.0954      1.00000
     24     -16.9638      1.00000
     25     -16.0062      1.00000
     26     -15.9214      1.00000
     27     -15.5967      1.00000
     28     -15.5733      1.00000
     29     -15.2780      1.00000
     30     -14.8746      1.00000
     31     -14.8276      1.00000
     32     -14.5725      1.00000
     33     -14.5348      1.00000
     34     -14.1622      1.00000
     35     -14.1580      1.00000
     36     -13.1601      1.00000
     37     -13.0935      1.00000
     38     -13.0208      1.00000
     39     -13.0163      1.00000
     40     -12.7157      1.00000
     41     -12.6925      1.00000
     42     -12.3387      1.00000
     43     -12.3115      1.00000
     44     -11.6298      1.00000
     45     -11.6207      1.00000
     46     -11.5683      1.00000
     47     -10.9389      1.00000
     48     -10.9209      1.00000
     49     -10.6671      1.00000
     50     -10.5874      1.00000
     51     -10.5712      1.00000
     52     -10.4993      1.00000
     53     -10.4867      1.00000
     54     -10.4365      1.00000
     55     -10.3536      1.00000
     56     -10.1021      1.00000
     57      -9.8960      1.00000
     58      -9.6060      1.00000
     59      -9.5488      1.00000
     60      -9.4524      1.00000
     61      -9.4167      1.00000
     62      -9.4070      1.00000
     63      -9.3769      1.00000
     64      -9.3695      1.00000
     65      -9.2657      1.00000
     66      -9.1636      1.00000
     67      -9.1393      1.00000
     68      -9.1141      1.00000
     69      -8.8641      1.00000
     70      -8.8580      1.00000
     71      -8.8007      1.00000
     72      -8.5947      1.00000
     73      -8.5250      1.00000
     74      -8.1913      1.00000
     75      -8.1685      1.00000
     76      -8.0740      1.00000
     77      -7.8550      1.00000
     78      -7.8348      1.00000
     79      -7.8214      1.00000
     80      -7.7084      1.00000
     81      -7.6937      1.00000
     82      -7.5954      1.00000
     83      -7.5282      1.00000
     84      -7.3483      1.00000
     85      -7.1656      1.00000
     86      -6.9035      1.00000
     87      -6.8932      1.00000
     88      -6.5906      1.00000
     89      -6.5495      1.00000
     90      -6.4031      1.00000
     91      -6.3002      1.00000
     92      -6.2456      1.00000
     93      -6.1995      1.00000
     94      -6.0022      1.00000
     95      -5.5300      1.00000
     96      -5.4636      1.00000
     97      -5.3122      1.00000
     98      -5.2077      1.00000
     99      -5.0451      1.00000
    100      -4.7218      1.00000
    101      -4.6700      1.00000
    102      -4.4225      1.00000
    103      -4.1935      1.00000
    104      -3.8416      1.00000
    105      -3.6332      1.00000
    106      -3.4146      1.00000
    107      -2.2914      0.00000
    108      -1.5086      0.00000
    109      -1.2684      0.00000
    110      -1.2606      0.00000
    111      -1.0328      0.00000
    112      -0.9750      0.00000
    113      -0.8664      0.00000
    114      -0.7978      0.00000
    115      -0.2602      0.00000
    116       0.2056      0.00000
    117       0.2412      0.00000
    118       0.3624      0.00000
    119       0.7010      0.00000
    120       0.8968      0.00000
    121       0.9262      0.00000
    122       1.0484      0.00000
    123       1.1766      0.00000
    124       1.5176      0.00000
    125       1.5722      0.00000
    126       1.7147      0.00000
    127       1.7804      0.00000
    128       1.8259      0.00000
    129       1.9471      0.00000
    130       2.0003      0.00000
    131       2.1700      0.00000
    132       2.2751      0.00000
    133       2.4055      0.00000
    134       2.4296      0.00000
    135       2.4874      0.00000
    136       2.6032      0.00000
    137       2.6202      0.00000
    138       2.7111      0.00000
    139       2.7379      0.00000
    140       2.8706      0.00000
    141       3.0467      0.00000
    142       3.0727      0.00000
    143       3.1617      0.00000
    144       3.2083      0.00000
    145       3.2228      0.00000
    146       3.2841      0.00000
    147       3.3280      0.00000
    148       3.4528      0.00000
    149       3.5321      0.00000
    150       3.7003      0.00000
    151       3.7210      0.00000
    152       3.7483      0.00000
    153       3.8320      0.00000
    154       3.8710      0.00000
    155       3.9288      0.00000
    156       3.9694      0.00000
    157       3.9841      0.00000
    158       4.0136      0.00000
    159       4.0195      0.00000
    160       4.0804      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3878      1.00000
      2     -21.8290      1.00000
      3     -21.6396      1.00000
      4     -21.6046      1.00000
      5     -21.2770      1.00000
      6     -21.2300      1.00000
      7     -21.0545      1.00000
      8     -20.1696      1.00000
      9     -20.1234      1.00000
     10     -19.6155      1.00000
     11     -19.5886      1.00000
     12     -19.4136      1.00000
     13     -19.0929      1.00000
     14     -19.0542      1.00000
     15     -19.0497      1.00000
     16     -19.0364      1.00000
     17     -18.3652      1.00000
     18     -18.3448      1.00000
     19     -18.0145      1.00000
     20     -17.0703      1.00000
     21     -17.0215      1.00000
     22     -16.9477      1.00000
     23     -16.9336      1.00000
     24     -16.4726      1.00000
     25     -16.4612      1.00000
     26     -15.6078      1.00000
     27     -15.6073      1.00000
     28     -15.2484      1.00000
     29     -15.2355      1.00000
     30     -15.1888      1.00000
     31     -15.0990      1.00000
     32     -15.0655      1.00000
     33     -14.6968      1.00000
     34     -14.6953      1.00000
     35     -13.7234      1.00000
     36     -13.7228      1.00000
     37     -13.2325      1.00000
     38     -12.6220      1.00000
     39     -12.5772      1.00000
     40     -12.4523      1.00000
     41     -12.4466      1.00000
     42     -12.1038      1.00000
     43     -12.0981      1.00000
     44     -11.7201      1.00000
     45     -11.6816      1.00000
     46     -11.2435      1.00000
     47     -11.2222      1.00000
     48     -11.0151      1.00000
     49     -11.0031      1.00000
     50     -10.9260      1.00000
     51     -10.8975      1.00000
     52     -10.6355      1.00000
     53     -10.1696      1.00000
     54     -10.1467      1.00000
     55     -10.0815      1.00000
     56      -9.9903      1.00000
     57      -9.6940      1.00000
     58      -9.6878      1.00000
     59      -9.6685      1.00000
     60      -9.5894      1.00000
     61      -9.5659      1.00000
     62      -9.5519      1.00000
     63      -9.3102      1.00000
     64      -9.2973      1.00000
     65      -9.2812      1.00000
     66      -9.2417      1.00000
     67      -9.1202      1.00000
     68      -9.1096      1.00000
     69      -9.1083      1.00000
     70      -8.9377      1.00000
     71      -8.8742      1.00000
     72      -8.6031      1.00000
     73      -8.5851      1.00000
     74      -8.2694      1.00000
     75      -8.0979      1.00000
     76      -7.8665      1.00000
     77      -7.8417      1.00000
     78      -7.7888      1.00000
     79      -7.7624      1.00000
     80      -7.7526      1.00000
     81      -7.4456      1.00000
     82      -7.3320      1.00000
     83      -7.3196      1.00000
     84      -7.2640      1.00000
     85      -7.1607      1.00000
     86      -7.0141      1.00000
     87      -6.9843      1.00000
     88      -6.7156      1.00000
     89      -6.6888      1.00000
     90      -6.6298      1.00000
     91      -6.5885      1.00000
     92      -6.1139      1.00000
     93      -6.0575      1.00000
     94      -6.0427      1.00000
     95      -6.0274      1.00000
     96      -5.7462      1.00000
     97      -4.9731      1.00000
     98      -4.8378      1.00000
     99      -4.7072      1.00000
    100      -4.6720      1.00000
    101      -4.4822      1.00000
    102      -4.3512      1.00000
    103      -4.1098      1.00000
    104      -4.0540      1.00000
    105      -3.7536      1.00000
    106      -3.4643      1.00000
    107      -1.9505      0.00000
    108      -1.7695      0.00000
    109      -1.4783      0.00000
    110      -1.3539      0.00000
    111      -1.3338      0.00000
    112      -1.2899      0.00000
    113      -0.6761      0.00000
    114      -0.4704      0.00000
    115      -0.2346      0.00000
    116       0.0536      0.00000
    117       0.5990      0.00000
    118       0.6931      0.00000
    119       0.7719      0.00000
    120       1.0261      0.00000
    121       1.0990      0.00000
    122       1.1807      0.00000
    123       1.2546      0.00000
    124       1.3420      0.00000
    125       1.4451      0.00000
    126       1.6107      0.00000
    127       1.7381      0.00000
    128       1.8477      0.00000
    129       1.8571      0.00000
    130       1.8939      0.00000
    131       2.0402      0.00000
    132       2.2257      0.00000
    133       2.2486      0.00000
    134       2.2975      0.00000
    135       2.4799      0.00000
    136       2.5815      0.00000
    137       2.6357      0.00000
    138       2.7606      0.00000
    139       2.7698      0.00000
    140       2.8165      0.00000
    141       2.8394      0.00000
    142       2.8470      0.00000
    143       2.9167      0.00000
    144       3.1021      0.00000
    145       3.3013      0.00000
    146       3.3260      0.00000
    147       3.3694      0.00000
    148       3.3963      0.00000
    149       3.4077      0.00000
    150       3.5642      0.00000
    151       3.6057      0.00000
    152       3.6551      0.00000
    153       3.7283      0.00000
    154       3.8928      0.00000
    155       3.9227      0.00000
    156       3.9416      0.00000
    157       4.1016      0.00000
    158       4.1986      0.00000
    159       4.2277      0.00000
    160       4.2758      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2079      1.00000
      2     -22.1171      1.00000
      3     -21.9548      1.00000
      4     -21.4028      1.00000
      5     -21.0442      1.00000
      6     -21.0159      1.00000
      7     -20.4940      1.00000
      8     -20.4642      1.00000
      9     -20.2842      1.00000
     10     -20.2823      1.00000
     11     -19.9548      1.00000
     12     -19.8917      1.00000
     13     -18.8815      1.00000
     14     -18.8139      1.00000
     15     -18.3358      1.00000
     16     -18.3163      1.00000
     17     -18.1471      1.00000
     18     -18.1395      1.00000
     19     -17.8138      1.00000
     20     -17.7954      1.00000
     21     -17.2560      1.00000
     22     -17.2365      1.00000
     23     -17.1582      1.00000
     24     -17.1336      1.00000
     25     -16.1136      1.00000
     26     -15.8789      1.00000
     27     -15.8677      1.00000
     28     -15.8382      1.00000
     29     -15.2291      1.00000
     30     -14.5491      1.00000
     31     -14.5308      1.00000
     32     -14.2738      1.00000
     33     -13.9724      1.00000
     34     -13.9486      1.00000
     35     -13.8220      1.00000
     36     -13.8001      1.00000
     37     -13.6023      1.00000
     38     -13.5768      1.00000
     39     -13.3678      1.00000
     40     -12.6360      1.00000
     41     -12.1672      1.00000
     42     -12.1406      1.00000
     43     -12.0664      1.00000
     44     -12.0195      1.00000
     45     -11.6619      1.00000
     46     -11.6573      1.00000
     47     -11.1348      1.00000
     48     -11.1239      1.00000
     49     -10.7891      1.00000
     50     -10.7327      1.00000
     51     -10.5342      1.00000
     52     -10.2056      1.00000
     53     -10.1996      1.00000
     54     -10.1685      1.00000
     55     -10.0202      1.00000
     56      -9.9922      1.00000
     57      -9.9874      1.00000
     58      -9.8025      1.00000
     59      -9.7933      1.00000
     60      -9.7619      1.00000
     61      -9.7546      1.00000
     62      -9.4531      1.00000
     63      -9.4156      1.00000
     64      -9.0822      1.00000
     65      -9.0432      1.00000
     66      -9.0235      1.00000
     67      -8.9687      1.00000
     68      -8.8961      1.00000
     69      -8.7054      1.00000
     70      -8.6965      1.00000
     71      -8.5588      1.00000
     72      -8.5481      1.00000
     73      -8.4760      1.00000
     74      -8.4575      1.00000
     75      -8.4547      1.00000
     76      -8.3068      1.00000
     77      -8.0932      1.00000
     78      -8.0874      1.00000
     79      -7.9233      1.00000
     80      -7.8297      1.00000
     81      -7.5990      1.00000
     82      -7.5362      1.00000
     83      -7.4413      1.00000
     84      -7.3124      1.00000
     85      -6.9903      1.00000
     86      -6.9160      1.00000
     87      -6.8785      1.00000
     88      -6.5269      1.00000
     89      -6.5132      1.00000
     90      -6.4795      1.00000
     91      -6.4186      1.00000
     92      -5.9251      1.00000
     93      -5.9038      1.00000
     94      -5.7871      1.00000
     95      -5.7728      1.00000
     96      -5.3679      1.00000
     97      -5.3609      1.00000
     98      -5.2189      1.00000
     99      -5.2135      1.00000
    100      -5.1966      1.00000
    101      -4.7187      1.00000
    102      -4.4410      1.00000
    103      -4.1896      1.00000
    104      -3.8192      1.00000
    105      -3.5646      1.00000
    106      -3.2192      1.00000
    107      -2.5616      0.00000
    108      -1.4626      0.00000
    109      -1.2642      0.00000
    110      -1.1840      0.00000
    111      -1.1825      0.00000
    112      -0.6434      0.00000
    113      -0.5494      0.00000
    114      -0.4134      0.00000
    115      -0.3458      0.00000
    116      -0.0754      0.00000
    117      -0.0609      0.00000
    118       0.1283      0.00000
    119       0.5942      0.00000
    120       0.6286      0.00000
    121       0.8657      0.00000
    122       0.9971      0.00000
    123       1.0122      0.00000
    124       1.5015      0.00000
    125       1.6906      0.00000
    126       1.7842      0.00000
    127       1.8714      0.00000
    128       2.0876      0.00000
    129       2.1195      0.00000
    130       2.1727      0.00000
    131       2.2116      0.00000
    132       2.2495      0.00000
    133       2.3262      0.00000
    134       2.4853      0.00000
    135       2.5046      0.00000
    136       2.6727      0.00000
    137       2.8545      0.00000
    138       2.8625      0.00000
    139       2.9585      0.00000
    140       2.9663      0.00000
    141       3.0230      0.00000
    142       3.1447      0.00000
    143       3.1456      0.00000
    144       3.2257      0.00000
    145       3.2521      0.00000
    146       3.2819      0.00000
    147       3.3105      0.00000
    148       3.3630      0.00000
    149       3.4223      0.00000
    150       3.5531      0.00000
    151       3.5687      0.00000
    152       3.6456      0.00000
    153       3.6466      0.00000
    154       3.6673      0.00000
    155       3.6972      0.00000
    156       3.9072      0.00000
    157       3.9374      0.00000
    158       4.0404      0.00000
    159       4.0923      0.00000
    160       4.1947      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2814      1.00000
      2     -22.0768      1.00000
      3     -21.7184      1.00000
      4     -21.6792      1.00000
      5     -20.9809      1.00000
      6     -20.9332      1.00000
      7     -20.6094      1.00000
      8     -20.5773      1.00000
      9     -20.5637      1.00000
     10     -20.0302      1.00000
     11     -19.5119      1.00000
     12     -19.4812      1.00000
     13     -19.3098      1.00000
     14     -19.2962      1.00000
     15     -18.4476      1.00000
     16     -18.4044      1.00000
     17     -17.9259      1.00000
     18     -17.9050      1.00000
     19     -17.7639      1.00000
     20     -17.7188      1.00000
     21     -17.4398      1.00000
     22     -17.4209      1.00000
     23     -17.3361      1.00000
     24     -16.4687      1.00000
     25     -16.4591      1.00000
     26     -15.9676      1.00000
     27     -15.4093      1.00000
     28     -15.4081      1.00000
     29     -15.0940      1.00000
     30     -15.0913      1.00000
     31     -14.8516      1.00000
     32     -14.8385      1.00000
     33     -14.2954      1.00000
     34     -14.2512      1.00000
     35     -13.4419      1.00000
     36     -13.3975      1.00000
     37     -13.1736      1.00000
     38     -13.1716      1.00000
     39     -12.9831      1.00000
     40     -12.9738      1.00000
     41     -12.6092      1.00000
     42     -12.6065      1.00000
     43     -12.1939      1.00000
     44     -11.5781      1.00000
     45     -11.5370      1.00000
     46     -11.3118      1.00000
     47     -11.2816      1.00000
     48     -11.1390      1.00000
     49     -10.6909      1.00000
     50     -10.6608      1.00000
     51     -10.5454      1.00000
     52     -10.3197      1.00000
     53     -10.3117      1.00000
     54     -10.1738      1.00000
     55     -10.1192      1.00000
     56     -10.1064      1.00000
     57      -9.8094      1.00000
     58      -9.7497      1.00000
     59      -9.7495      1.00000
     60      -9.6991      1.00000
     61      -9.6958      1.00000
     62      -9.6449      1.00000
     63      -9.3497      1.00000
     64      -9.3485      1.00000
     65      -9.3167      1.00000
     66      -9.0261      1.00000
     67      -8.9589      1.00000
     68      -8.9555      1.00000
     69      -8.7735      1.00000
     70      -8.5906      1.00000
     71      -8.5866      1.00000
     72      -8.4220      1.00000
     73      -8.3477      1.00000
     74      -8.3206      1.00000
     75      -8.3002      1.00000
     76      -8.2637      1.00000
     77      -8.2530      1.00000
     78      -8.2378      1.00000
     79      -7.9196      1.00000
     80      -7.7320      1.00000
     81      -7.3765      1.00000
     82      -7.3461      1.00000
     83      -7.3216      1.00000
     84      -7.2138      1.00000
     85      -7.1581      1.00000
     86      -7.0633      1.00000
     87      -6.9585      1.00000
     88      -6.9033      1.00000
     89      -6.6128      1.00000
     90      -6.5528      1.00000
     91      -6.2705      1.00000
     92      -5.9946      1.00000
     93      -5.9578      1.00000
     94      -5.6733      1.00000
     95      -5.6466      1.00000
     96      -5.3856      1.00000
     97      -5.3136      1.00000
     98      -5.2922      1.00000
     99      -5.2100      1.00000
    100      -5.1983      1.00000
    101      -4.5103      1.00000
    102      -4.3378      1.00000
    103      -3.9944      1.00000
    104      -3.8844      1.00000
    105      -3.7915      1.00000
    106      -3.4420      1.00000
    107      -2.0345      0.00000
    108      -1.8616      0.00000
    109      -1.2165      0.00000
    110      -1.1811      0.00000
    111      -1.0346      0.00000
    112      -0.7710      0.00000
    113      -0.6753      0.00000
    114      -0.6586      0.00000
    115      -0.6073      0.00000
    116      -0.0998      0.00000
    117       0.2249      0.00000
    118       0.2423      0.00000
    119       0.7812      0.00000
    120       0.9938      0.00000
    121       1.0765      0.00000
    122       1.2452      0.00000
    123       1.2541      0.00000
    124       1.3493      0.00000
    125       1.5834      0.00000
    126       1.5863      0.00000
    127       1.7157      0.00000
    128       1.7905      0.00000
    129       1.9600      0.00000
    130       1.9770      0.00000
    131       2.0402      0.00000
    132       2.2518      0.00000
    133       2.3421      0.00000
    134       2.4283      0.00000
    135       2.5517      0.00000
    136       2.6308      0.00000
    137       2.7121      0.00000
    138       2.7785      0.00000
    139       2.8507      0.00000
    140       2.8533      0.00000
    141       3.0220      0.00000
    142       3.1104      0.00000
    143       3.1668      0.00000
    144       3.2166      0.00000
    145       3.3757      0.00000
    146       3.4153      0.00000
    147       3.4970      0.00000
    148       3.5323      0.00000
    149       3.5931      0.00000
    150       3.5980      0.00000
    151       3.6451      0.00000
    152       3.7392      0.00000
    153       3.7415      0.00000
    154       3.7560      0.00000
    155       3.7631      0.00000
    156       3.8734      0.00000
    157       4.0169      0.00000
    158       4.0923      0.00000
    159       4.1720      0.00000
    160       4.2165      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0421   -7.3901    4.1987   -1.2757   -0.2386   17.5925    0.1478   -0.5326    0.6340   -0.4650
x    -3.0923   -0.0374   -0.0631    0.0617   -0.0091   -2.9773   -0.0110   -0.0070    0.0049    0.0016
x    -0.0964    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0421    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0942   -0.0088    0.0374    0.0376
y    -0.0457   -3.2476   -0.5378   -0.1639   -1.1792   -0.6053
z   204.0421    1.1244   -0.2803    0.0407    0.0090    0.0617    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0777    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1584
z    -0.2836    0.1869   -0.0387    0.0471   -0.1052    0.0013
 total charge-density along one line
x   212.0000  -10.2202    6.1466   -2.0856   -0.4743   19.5088   -0.9953    0.4740   -0.0446   -0.1262
x    -2.6453   -0.0277   -0.0610    0.0846   -0.0532   -2.2246   -0.0249   -0.0026    0.0052    0.0021
x    -0.0895    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2202    6.1466   -2.0856   -0.4743   19.5089   -0.9953    0.4740   -0.0446   -0.1262
y    -2.6453   -0.0277   -0.0610    0.0846   -0.0532   -2.2246   -0.0249   -0.0026    0.0052    0.0021
y    -0.0895    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4945  189.2979 -170.3725  153.6489 -139.4277  125.4188 -110.1045   93.9603  -78.3500
z    64.1440  -51.4937   40.4290  -31.2225   24.1246  -18.9410   15.0282  -11.7171    8.7147   -6.1212
z     4.1312   -2.7593    1.8219   -1.1114    0.5402   -0.1272   -0.1111    0.2276   -0.3090    0.3997
z    -0.4764    0.4932   -0.4401    0.3550   -0.2861    0.2511   -0.2333    0.2086   -0.1709    0.1317
z    -0.1037    0.0880   -0.0768    0.0637   -0.0491    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0001   -0.0001    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0000    0.0000   -0.0001    0.0001   -0.0001    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.024   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.030   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.158   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.415   0.000   0.077   0.585  -0.239   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.379   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.024   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.368  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.239   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.264   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.262   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.783   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.645
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.645
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.785   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.648
 49        0.864   1.784   0.000   2.647
 50        0.864   1.783   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.868  89.428   8.029 142.324
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time   90.01: CPU time   45.38
    FORLOC:  VPU time    1.09: CPU time    1.09
    FORNL :  VPU time  362.43: CPU time  181.66
    STRESS:  VPU time 1089.21: CPU time  547.58
    FORCOR:  VPU time    7.43: CPU time    7.43
    FORHAR:  VPU time    1.98: CPU time    1.97
    MIXING:  VPU time    0.13: CPU time    0.14
 d Force = 0.4756922E-05[ 0.334E-05, 0.618E-05]  d Energy = 0.2274859E-05 0.248E-05
 d Force =-0.1237160E+00[-0.124E+00,-0.124E+00]  d Ewald  = 0.3599652E+01-0.372E+01


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726372 eV

  energy  without entropy=     -471.726372  energy(sigma->0) =     -471.726372
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40843.01  40798.13 -47541.86    -38.87      0.00      0.00
  Hartree  40267.39  40248.36 -39526.15    -16.47      0.00      0.00
  E(xc)     -779.45   -779.74   -807.38     -0.25      0.00      0.00
  Local   -83394.47 -83339.46  84382.72     47.64      0.00      0.00
  n-local   -216.82   -215.68   -203.37      0.71      0.00      0.00
  augment     20.06     22.05     17.81      1.72      0.00      0.00
  Kinetic   3162.50   3176.05   3583.90      3.39      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.12     -0.09     -0.39      0.03      0.00      0.00
  in kB       -0.07     -0.06     -0.24      0.02      0.00      0.00
  external pressure =       -0.12 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345512452  0.000940041  0.000000000     0.080997533  0.046755792  0.000000000
    -6.171948769 10.691993505  0.000000000    -0.000007121  0.093523817  0.000000000
     0.000000000  0.000000000 19.984720127     0.000000000  0.000000000  0.050038229

  length of vectors
    12.345512487 12.345512412 19.984720127     0.093523817  0.093523818  0.050038229


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.476E-05 -.490E-04 -.952E+03   0.450E-05 -.278E-04 0.960E+03   -.847E-20 -.169E-20 -.868E+01   -.300E-07 0.202E-07 -.133E-01
   0.322E+02 -.186E+02 -.135E+03   -.337E+02 0.195E+02 0.137E+03   0.154E+01 -.890E+00 -.253E+01   -.163E-03 0.932E-04 -.859E-03
   -.322E+02 0.186E+02 -.135E+03   0.337E+02 -.195E+02 0.137E+03   -.154E+01 0.890E+00 -.253E+01   0.163E-03 -.932E-04 -.859E-03
   -.210E+01 0.121E+01 0.163E+02   0.211E+01 -.122E+01 -.163E+02   -.256E-02 0.148E-02 -.240E-01   -.800E-03 0.459E-03 0.458E-03
   0.619E+01 0.678E+01 0.194E+02   -.619E+01 -.680E+01 -.193E+02   0.391E-03 0.246E-01 -.273E-01   0.510E-04 -.728E-03 0.484E-03
   0.112E+02 0.513E+01 0.161E+02   -.112E+02 -.514E+01 -.161E+02   0.225E-01 0.532E-02 -.482E-01   -.304E-03 0.507E-03 0.352E-03
   0.472E+01 -.883E+00 0.126E+02   -.473E+01 0.889E+00 -.125E+02   0.164E-01 -.915E-02 -.183E-01   -.389E-03 0.224E-03 0.103E-03
   -.310E+01 -.251E+01 0.126E+02   0.310E+01 0.251E+01 -.126E+02   0.283E-02 0.329E-03 -.131E-01   -.455E-03 0.424E-03 0.305E-03
   0.626E+00 0.394E+01 0.126E+02   -.619E+00 -.394E+01 -.126E+02   0.113E-02 -.262E-02 -.131E-01   -.600E-03 0.176E-03 0.302E-03
   0.245E+01 0.189E+02 0.240E+02   -.245E+01 -.190E+02 -.240E+02   -.118E-02 0.100E+00 -.485E-01   0.845E-04 0.116E-02 0.522E-03
   0.226E+02 0.214E+02 0.422E+02   -.226E+02 -.217E+02 -.422E+02   0.851E-01 0.260E+00 -.609E-01   -.153E-02 0.455E-03 0.676E-03
   0.268E+02 -.345E+01 0.257E+02   -.271E+02 0.356E+01 -.256E+02   0.266E+00 -.110E+00 -.335E-01   -.731E-04 -.140E-04 0.454E-03
   0.916E+01 -.529E+01 0.136E+02   -.920E+01 0.531E+01 -.136E+02   0.426E-01 -.246E-01 -.118E-01   -.247E-03 0.136E-03 0.359E-03
   0.312E+01 -.364E+01 0.126E+02   -.313E+01 0.365E+01 -.125E+02   0.161E-01 -.965E-02 -.183E-01   -.391E-03 0.220E-03 0.954E-04
   -.595E+01 0.136E+02 0.161E+02   0.595E+01 -.137E+02 -.161E+02   0.327E-03 0.725E-01 -.518E-01   -.637E-03 -.123E-03 0.295E-03
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.277E-01 0.613E+00 0.294E+00   -.442E-03 -.530E-04 0.472E-03
   0.237E+02 -.137E+02 0.941E+02   -.243E+02 0.140E+02 -.962E+02   0.640E+00 -.370E+00 0.205E+01   -.721E-04 0.390E-04 0.485E-03
   0.164E+02 -.215E+02 0.257E+02   -.166E+02 0.217E+02 -.256E+02   0.228E+00 -.176E+00 -.335E-01   -.267E-04 0.625E-04 0.450E-03
   0.116E+01 -.123E+02 0.161E+02   -.116E+01 0.123E+02 -.161E+02   0.664E-02 -.221E-01 -.482E-01   -.588E-03 0.892E-05 0.347E-03
   -.417E+01 0.193E+01 0.116E+02   0.417E+01 -.194E+01 -.116E+02   0.196E-02 0.815E-02 -.439E-01   -.489E-03 0.197E-03 0.233E-03
   -.193E+02 0.111E+02 0.218E+02   0.193E+02 -.112E+02 -.217E+02   -.530E-01 0.306E-01 -.428E-01   -.125E-03 0.757E-04 0.532E-03
   -.373E+02 -.785E+01 0.478E+02   0.378E+02 0.813E+01 -.481E+02   -.545E+00 -.282E+00 0.294E+00   -.172E-03 0.408E-03 0.475E-03
   -.725E+01 -.302E+02 0.422E+02   0.745E+01 0.304E+02 -.422E+02   -.183E+00 -.204E+00 -.609E-01   -.116E-02 0.109E-02 0.674E-03
   -.278E+01 -.875E+01 0.194E+02   0.279E+01 0.876E+01 -.193E+02   -.211E-01 -.127E-01 -.273E-01   0.657E-03 0.318E-03 0.483E-03
   0.136E+01 -.785E+00 0.135E+02   -.136E+01 0.783E+00 -.134E+02   0.529E-02 -.306E-02 -.178E-01   -.620E-03 0.360E-03 0.379E-03
   -.376E+01 0.264E+01 0.116E+02   0.377E+01 -.264E+01 -.116E+02   -.608E-02 -.577E-02 -.439E-01   -.413E-03 0.330E-03 0.237E-03
   -.148E+02 -.166E+01 0.161E+02   0.148E+02 0.169E+01 -.161E+02   -.627E-01 -.366E-01 -.518E-01   -.210E-03 0.612E-03 0.302E-03
   -.152E+02 -.116E+02 0.240E+02   0.153E+02 0.116E+02 -.240E+02   -.874E-01 -.491E-01 -.485E-01   -.957E-03 -.656E-03 0.524E-03
   0.278E+01 0.875E+01 0.194E+02   -.279E+01 -.876E+01 -.193E+02   0.211E-01 0.127E-01 -.273E-01   -.657E-03 -.318E-03 0.483E-03
   0.152E+02 0.116E+02 0.240E+02   -.153E+02 -.116E+02 -.240E+02   0.874E-01 0.491E-01 -.485E-01   0.957E-03 0.656E-03 0.524E-03
   0.148E+02 0.166E+01 0.161E+02   -.148E+02 -.169E+01 -.161E+02   0.627E-01 0.366E-01 -.518E-01   0.210E-03 -.612E-03 0.302E-03
   0.376E+01 -.264E+01 0.116E+02   -.377E+01 0.264E+01 -.116E+02   0.608E-02 0.577E-02 -.439E-01   0.413E-03 -.330E-03 0.237E-03
   -.136E+01 0.785E+00 0.135E+02   0.136E+01 -.783E+00 -.134E+02   -.529E-02 0.306E-02 -.178E-01   0.620E-03 -.360E-03 0.379E-03
   -.116E+01 0.123E+02 0.161E+02   0.116E+01 -.123E+02 -.161E+02   -.664E-02 0.221E-01 -.482E-01   0.588E-03 -.894E-05 0.347E-03
   0.725E+01 0.302E+02 0.422E+02   -.745E+01 -.304E+02 -.422E+02   0.183E+00 0.204E+00 -.609E-01   0.116E-02 -.109E-02 0.674E-03
   0.373E+02 0.785E+01 0.478E+02   -.378E+02 -.813E+01 -.481E+02   0.545E+00 0.282E+00 0.294E+00   0.172E-03 -.408E-03 0.475E-03
   0.193E+02 -.111E+02 0.218E+02   -.193E+02 0.112E+02 -.217E+02   0.530E-01 -.306E-01 -.428E-01   0.125E-03 -.757E-04 0.532E-03
   0.417E+01 -.193E+01 0.116E+02   -.417E+01 0.194E+01 -.116E+02   -.196E-02 -.815E-02 -.439E-01   0.489E-03 -.197E-03 0.233E-03
   -.312E+01 0.364E+01 0.126E+02   0.313E+01 -.365E+01 -.125E+02   -.161E-01 0.965E-02 -.183E-01   0.391E-03 -.221E-03 0.954E-04
   -.164E+02 0.215E+02 0.257E+02   0.166E+02 -.217E+02 -.256E+02   -.228E+00 0.176E+00 -.335E-01   0.267E-04 -.625E-04 0.450E-03
   -.237E+02 0.137E+02 0.941E+02   0.243E+02 -.140E+02 -.962E+02   -.640E+00 0.370E+00 0.205E+01   0.721E-04 -.389E-04 0.485E-03
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.277E-01 -.613E+00 0.294E+00   0.442E-03 0.530E-04 0.472E-03
   0.595E+01 -.136E+02 0.161E+02   -.595E+01 0.137E+02 -.161E+02   -.327E-03 -.725E-01 -.518E-01   0.637E-03 0.123E-03 0.295E-03
   -.626E+00 -.394E+01 0.126E+02   0.619E+00 0.394E+01 -.126E+02   -.113E-02 0.262E-02 -.131E-01   0.600E-03 -.176E-03 0.302E-03
   -.916E+01 0.529E+01 0.136E+02   0.920E+01 -.531E+01 -.136E+02   -.426E-01 0.246E-01 -.118E-01   0.247E-03 -.136E-03 0.359E-03
   -.268E+02 0.345E+01 0.257E+02   0.271E+02 -.356E+01 -.256E+02   -.266E+00 0.110E+00 -.335E-01   0.731E-04 0.140E-04 0.454E-03
   -.226E+02 -.214E+02 0.422E+02   0.226E+02 0.217E+02 -.422E+02   -.851E-01 -.260E+00 -.609E-01   0.153E-02 -.455E-03 0.676E-03
   -.245E+01 -.189E+02 0.240E+02   0.245E+01 0.190E+02 -.240E+02   0.118E-02 -.100E+00 -.485E-01   -.845E-04 -.116E-02 0.522E-03
   0.210E+01 -.121E+01 0.163E+02   -.211E+01 0.122E+01 -.163E+02   0.256E-02 -.148E-02 -.240E-01   0.800E-03 -.459E-03 0.458E-03
   0.310E+01 0.251E+01 0.126E+02   -.310E+01 -.251E+01 -.126E+02   -.283E-02 -.329E-03 -.131E-01   0.455E-03 -.424E-03 0.305E-03
   -.472E+01 0.883E+00 0.126E+02   0.473E+01 -.890E+00 -.125E+02   -.164E-01 0.915E-02 -.183E-01   0.389E-03 -.224E-03 0.103E-03
   -.112E+02 -.513E+01 0.161E+02   0.112E+02 0.514E+01 -.161E+02   -.225E-01 -.532E-02 -.482E-01   0.304E-03 -.507E-03 0.352E-03
   -.619E+01 -.678E+01 0.194E+02   0.619E+01 0.680E+01 -.193E+02   -.391E-03 -.246E-01 -.273E-01   -.510E-04 0.728E-03 0.484E-03
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.293E-03 0.100E+02   0.169E-13 -.217E-12 -.121E-12   0.156E-15 -.215E-15 -.100E+02   -.263E-07 0.212E-07 0.498E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85228      6.05920     12.26286         0.000000      0.000000      0.028858
      1.07509      6.50792     13.52256         0.003669     -0.002118      0.006057
      2.62948      5.61049     13.52256        -0.003669      0.002118      0.006057
      0.00009     -0.00005      9.90997         0.003416     -0.001972      0.000462
     -1.23470      2.13681      9.90865        -0.002742      0.008646      0.000185
     -2.47002      4.27660      9.92865         0.004359     -0.004879     -0.000451
     -3.70366      6.41532      9.93641         0.001965     -0.002051     -0.001443
     -4.93741      8.55365      9.92691         0.005967     -0.005010     -0.000270
      2.46913      0.00003      9.92691         0.007322     -0.002663     -0.000270
      1.23400      2.13689      9.91821        -0.000941     -0.009493     -0.001111
     -0.00283      4.27100      9.93079         0.017397     -0.005394     -0.002622
     -1.23817      6.41594      9.95281        -0.004774      0.000324     -0.000759
     -2.46877      8.55397      9.93818        -0.001382      0.000798      0.000977
      4.93786      0.00074      9.93641         0.002759     -0.000677     -0.001443
      3.70418      2.13682      9.93966         0.004196      0.003970     -0.000916
      2.46993      4.26867      9.96740         0.003674      0.001683     -0.003531
      1.22918      6.41895      9.97356         0.003427     -0.001978     -0.000367
     -0.00188      8.55725      9.95281        -0.002667      0.003973     -0.000759
      7.40686      0.00174      9.92865         0.006405     -0.001335     -0.000451
      6.17257      2.13908      9.93497         0.005055     -0.003240     -0.000460
      4.93918      4.27699      9.94765        -0.004238      0.002447      0.000693
      3.71176      6.41958      9.96740         0.000379     -0.004023     -0.003531
      2.47336      8.55988      9.93079         0.013370     -0.012370     -0.002622
      9.87763      0.00182      9.90865        -0.008859     -0.001948      0.000185
      8.64178      2.13929      9.91982         0.008271     -0.004775      0.000505
      7.40736      4.27780      9.93497         0.005333     -0.002757     -0.000460
      6.17512      6.41661      9.93966        -0.001340     -0.005618     -0.000916
      4.93997      8.55582      9.91821         0.007750      0.005561     -0.001111
     -0.00111      1.42460      9.90865         0.008859      0.001948      0.000185
     -1.23540      3.56259      9.91821        -0.007750     -0.005561     -0.001111
     -2.47055      5.70180      9.93966         0.001340      0.005618     -0.000916
     -3.70279      7.84061      9.93497        -0.005333      0.002757     -0.000460
     -4.93721      9.97912      9.91982        -0.008271      0.004775      0.000505
      2.46966      1.42467      9.92865        -0.006405      0.001335     -0.000451
      1.23121      3.55853      9.93079        -0.013370      0.012370     -0.002622
     -0.00719      5.69883      9.96740        -0.000379      0.004023     -0.003531
     -1.23461      7.84142      9.94765         0.004238     -0.002447      0.000693
     -2.46800      9.97933      9.93497        -0.005055      0.003240     -0.000460
      4.93866      1.42568      9.93641        -0.002759      0.000677     -0.001443
      3.70645      3.56116      9.95281         0.002667     -0.003973     -0.000759
      2.47539      5.69945      9.97356        -0.003427      0.001978     -0.000367
      1.23464      7.84974      9.96740        -0.003674     -0.001683     -0.003531
      0.00039      9.98159      9.93966        -0.004196     -0.003970     -0.000916
      7.40739      1.42638      9.92691        -0.007322      0.002663     -0.000270
      6.17334      3.56444      9.93818         0.001382     -0.000798      0.000977
      4.94274      5.70247      9.95281         0.004774     -0.000324     -0.000759
      3.70740      7.84741      9.93079        -0.017397      0.005394     -0.002622
      2.47057      9.98152      9.91821         0.000941      0.009493     -0.001111
      9.87643      1.42646      9.90997        -0.003416      0.001972      0.000462
      8.64198      3.56476      9.92691        -0.005967      0.005010     -0.000270
      7.40822      5.70309      9.93641        -0.001965      0.002051     -0.001443
      6.17459      7.84181      9.92865        -0.004359      0.004879     -0.000451
      4.93927      9.98160      9.90865         0.002742     -0.008646      0.000185
 -----------------------------------------------------------------------------------
    total drift:                               -0.001807      0.000293      0.006687


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.67: CPU time    1.68
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.19: CPU time    1.18
    ORTHCH:  VPU time  150.19: CPU time   75.14
     LOOP+:  VPU time 4239.12: CPU time 2163.83


----------------------------------------- Iteration   18(   1)  ---------------------------------------


    POTLOK:  VPU time    7.84: CPU time    7.77
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1157.16: CPU time  590.97
 BZINTS: Fermi energy: -3.205003;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.16: CPU time   45.35
    MIXING:  VPU time    0.12: CPU time    0.13
    ------------------------------------------
      LOOP:  VPU time 1255.63: CPU time  644.53

 eigenvalue-minimisations  :  4328
 total energy-change (2. order) :-0.4717264E+03  (-0.9434269E-05)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9577212 magnetization   -0.0000006

 Broyden mixing:
  rms(total) = 0.59851E-03    rms(broyden)= 0.59846E-03
  rms(prec ) = 0.70993E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34097.50590491
  -1/2 Hartree   DENC   =    -40988.49166768
  -V(xc)+E(xc)   XCENC  =       726.59034952
  PAW double counting   =      4093.79738085    -4132.14357095
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.42463527
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72638501 eV

  energy without entropy =     -471.72638501  energy(sigma->0) =     -471.72638501


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(   2)  ---------------------------------------


    POTLOK:  VPU time    7.77: CPU time    7.76
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1188.52: CPU time  607.28
 BZINTS: Fermi energy: -3.205170;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1196.63: CPU time  615.36

 eigenvalue-minimisations  :  4504
 total energy-change (2. order) : 0.1118030E-04  (-0.3658495E-05)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9577212 magnetization   -0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34097.50590491
  -1/2 Hartree   DENC   =    -40988.38790751
  -V(xc)+E(xc)   XCENC  =       726.58773668
  PAW double counting   =      4093.74952404    -4132.09571703
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.52576853
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72637383 eV

  energy without entropy =     -471.72637383  energy(sigma->0) =     -471.72637383


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2177       2 -39.5341       3 -39.5342       4 -58.3126       5 -58.3165
       6 -58.3189       7 -58.3135       8 -58.3139       9 -58.3139      10 -58.3203
      11 -58.3866      12 -58.3504      13 -58.3218      14 -58.3135      15 -58.3233
      16 -58.5416      17 -58.7288      18 -58.3504      19 -58.3189      20 -58.3187
      21 -58.3566      22 -58.5416      23 -58.3866      24 -58.3165      25 -58.3218
      26 -58.3187      27 -58.3233      28 -58.3204      29 -58.3164      30 -58.3202
      31 -58.3232      32 -58.3187      33 -58.3217      34 -58.3188      35 -58.3865
      36 -58.5415      37 -58.3565      38 -58.3187      39 -58.3134      40 -58.3503
      41 -58.7287      42 -58.5416      43 -58.3232      44 -58.3138      45 -58.3217
      46 -58.3503      47 -58.3865      48 -58.3203      49 -58.3125      50 -58.3138
      51 -58.3134      52 -58.3188      53 -58.3164
 
 
 
 E-fermi :  -3.2052     XC(G=0):  -2.3473     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4249      1.00000
      2     -21.6018      1.00000
      3     -21.4800      1.00000
      4     -21.4709      1.00000
      5     -21.4393      1.00000
      6     -21.4386      1.00000
      7     -21.4283      1.00000
      8     -19.7062      1.00000
      9     -19.6510      1.00000
     10     -19.6277      1.00000
     11     -19.6169      1.00000
     12     -19.6118      1.00000
     13     -19.6101      1.00000
     14     -18.7888      1.00000
     15     -18.7529      1.00000
     16     -18.7331      1.00000
     17     -18.7237      1.00000
     18     -18.7162      1.00000
     19     -18.7118      1.00000
     20     -16.6332      1.00000
     21     -16.6074      1.00000
     22     -16.5833      1.00000
     23     -16.5800      1.00000
     24     -16.5527      1.00000
     25     -16.5512      1.00000
     26     -15.6126      1.00000
     27     -15.6014      1.00000
     28     -15.5976      1.00000
     29     -15.5629      1.00000
     30     -15.5614      1.00000
     31     -15.5591      1.00000
     32     -14.2579      1.00000
     33     -14.2486      1.00000
     34     -14.2395      1.00000
     35     -14.2347      1.00000
     36     -14.2203      1.00000
     37     -14.2177      1.00000
     38     -11.9044      1.00000
     39     -11.8777      1.00000
     40     -11.8672      1.00000
     41     -11.8633      1.00000
     42     -11.8428      1.00000
     43     -11.8428      1.00000
     44     -11.7691      1.00000
     45     -11.7672      1.00000
     46     -11.7332      1.00000
     47     -11.7270      1.00000
     48     -11.7240      1.00000
     49     -11.7204      1.00000
     50     -10.6748      1.00000
     51     -10.3864      1.00000
     52     -10.3824      1.00000
     53     -10.3752      1.00000
     54     -10.3664      1.00000
     55     -10.3545      1.00000
     56     -10.3518      1.00000
     57      -9.9028      1.00000
     58      -9.4491      1.00000
     59      -9.4039      1.00000
     60      -9.3608      1.00000
     61      -9.3602      1.00000
     62      -9.3523      1.00000
     63      -9.1403      1.00000
     64      -9.1218      1.00000
     65      -9.1192      1.00000
     66      -9.0840      1.00000
     67      -9.0697      1.00000
     68      -9.0687      1.00000
     69      -9.0677      1.00000
     70      -9.0631      1.00000
     71      -9.0628      1.00000
     72      -9.0367      1.00000
     73      -9.0264      1.00000
     74      -9.0246      1.00000
     75      -8.1285      1.00000
     76      -7.7451      1.00000
     77      -7.4684      1.00000
     78      -7.4644      1.00000
     79      -7.4520      1.00000
     80      -7.4329      1.00000
     81      -7.4227      1.00000
     82      -7.4040      1.00000
     83      -7.3110      1.00000
     84      -7.2697      1.00000
     85      -7.2559      1.00000
     86      -7.2470      1.00000
     87      -7.1486      1.00000
     88      -7.0473      1.00000
     89      -6.4448      1.00000
     90      -6.4142      1.00000
     91      -6.3986      1.00000
     92      -6.3619      1.00000
     93      -6.3516      1.00000
     94      -6.3389      1.00000
     95      -5.9586      1.00000
     96      -5.9550      1.00000
     97      -4.8054      1.00000
     98      -4.5434      1.00000
     99      -4.4801      1.00000
    100      -4.4734      1.00000
    101      -4.3810      1.00000
    102      -4.3803      1.00000
    103      -4.2662      1.00000
    104      -4.1864      1.00000
    105      -3.7382      1.00000
    106      -3.4769      1.00000
    107      -1.8625      0.00000
    108      -1.6690      0.00000
    109      -1.6223      0.00000
    110      -1.5900      0.00000
    111      -1.5745      0.00000
    112      -1.5736      0.00000
    113      -0.4280      0.00000
    114       0.1482      0.00000
    115       0.1922      0.00000
    116       0.2559      0.00000
    117       0.2691      0.00000
    118       0.2725      0.00000
    119       0.4791      0.00000
    120       0.5611      0.00000
    121       1.2610      0.00000
    122       1.2941      0.00000
    123       1.5511      0.00000
    124       1.7603      0.00000
    125       1.7835      0.00000
    126       1.7863      0.00000
    127       1.7875      0.00000
    128       1.8342      0.00000
    129       1.9584      0.00000
    130       1.9735      0.00000
    131       1.9761      0.00000
    132       1.9902      0.00000
    133       1.9973      0.00000
    134       2.0916      0.00000
    135       2.2705      0.00000
    136       2.3413      0.00000
    137       2.6358      0.00000
    138       2.6378      0.00000
    139       2.6691      0.00000
    140       2.7062      0.00000
    141       2.9454      0.00000
    142       3.0179      0.00000
    143       3.0179      0.00000
    144       3.0424      0.00000
    145       3.0443      0.00000
    146       3.0452      0.00000
    147       3.0863      0.00000
    148       3.2841      0.00000
    149       3.4415      0.00000
    150       3.5146      0.00000
    151       3.8124      0.00000
    152       3.9402      0.00000
    153       3.9426      0.00000
    154       3.9442      0.00000
    155       3.9492      0.00000
    156       3.9985      0.00000
    157       4.1895      0.00000
    158       4.2694      0.00000
    159       4.2758      0.00000
    160       4.2911      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3882      1.00000
      2     -21.8291      1.00000
      3     -21.6367      1.00000
      4     -21.6090      1.00000
      5     -21.2732      1.00000
      6     -21.2338      1.00000
      7     -21.0555      1.00000
      8     -20.1663      1.00000
      9     -20.1281      1.00000
     10     -19.6072      1.00000
     11     -19.5959      1.00000
     12     -19.4158      1.00000
     13     -19.0882      1.00000
     14     -19.0587      1.00000
     15     -19.0475      1.00000
     16     -19.0396      1.00000
     17     -18.3593      1.00000
     18     -18.3505      1.00000
     19     -18.0177      1.00000
     20     -17.0678      1.00000
     21     -17.0290      1.00000
     22     -16.9426      1.00000
     23     -16.9384      1.00000
     24     -16.4663      1.00000
     25     -16.4617      1.00000
     26     -15.6118      1.00000
     27     -15.6061      1.00000
     28     -15.2509      1.00000
     29     -15.2419      1.00000
     30     -15.1835      1.00000
     31     -15.0970      1.00000
     32     -15.0696      1.00000
     33     -14.6969      1.00000
     34     -14.6946      1.00000
     35     -13.7251      1.00000
     36     -13.7219      1.00000
     37     -13.2346      1.00000
     38     -12.6133      1.00000
     39     -12.5826      1.00000
     40     -12.4531      1.00000
     41     -12.4489      1.00000
     42     -12.1079      1.00000
     43     -12.1026      1.00000
     44     -11.7151      1.00000
     45     -11.6843      1.00000
     46     -11.2335      1.00000
     47     -11.2247      1.00000
     48     -11.0165      1.00000
     49     -11.0082      1.00000
     50     -10.9245      1.00000
     51     -10.9033      1.00000
     52     -10.6298      1.00000
     53     -10.1541      1.00000
     54     -10.1492      1.00000
     55     -10.0909      1.00000
     56      -9.9973      1.00000
     57      -9.7006      1.00000
     58      -9.6942      1.00000
     59      -9.6542      1.00000
     60      -9.5907      1.00000
     61      -9.5741      1.00000
     62      -9.5575      1.00000
     63      -9.3061      1.00000
     64      -9.3016      1.00000
     65      -9.2725      1.00000
     66      -9.2343      1.00000
     67      -9.1352      1.00000
     68      -9.1147      1.00000
     69      -9.1091      1.00000
     70      -8.9381      1.00000
     71      -8.8699      1.00000
     72      -8.6021      1.00000
     73      -8.5893      1.00000
     74      -8.2351      1.00000
     75      -8.0998      1.00000
     76      -7.9120      1.00000
     77      -7.8615      1.00000
     78      -7.7710      1.00000
     79      -7.7550      1.00000
     80      -7.6904      1.00000
     81      -7.5593      1.00000
     82      -7.3384      1.00000
     83      -7.3210      1.00000
     84      -7.2029      1.00000
     85      -7.1216      1.00000
     86      -7.0303      1.00000
     87      -7.0100      1.00000
     88      -6.7030      1.00000
     89      -6.6763      1.00000
     90      -6.6393      1.00000
     91      -6.5963      1.00000
     92      -6.1154      1.00000
     93      -6.0604      1.00000
     94      -6.0291      1.00000
     95      -6.0099      1.00000
     96      -5.7818      1.00000
     97      -4.9733      1.00000
     98      -4.8310      1.00000
     99      -4.7455      1.00000
    100      -4.6782      1.00000
    101      -4.4679      1.00000
    102      -4.2026      1.00000
    103      -4.1710      1.00000
    104      -4.1266      1.00000
    105      -3.7286      1.00000
    106      -3.4872      1.00000
    107      -1.8699      0.00000
    108      -1.8071      0.00000
    109      -1.5238      0.00000
    110      -1.3754      0.00000
    111      -1.3207      0.00000
    112      -1.2867      0.00000
    113      -0.7194      0.00000
    114      -0.3752      0.00000
    115      -0.2480      0.00000
    116       0.0386      0.00000
    117       0.5665      0.00000
    118       0.7022      0.00000
    119       0.7481      0.00000
    120       1.0508      0.00000
    121       1.1006      0.00000
    122       1.1562      0.00000
    123       1.2304      0.00000
    124       1.3884      0.00000
    125       1.5340      0.00000
    126       1.6015      0.00000
    127       1.7199      0.00000
    128       1.7900      0.00000
    129       1.8581      0.00000
    130       1.8850      0.00000
    131       2.1018      0.00000
    132       2.2046      0.00000
    133       2.2495      0.00000
    134       2.3220      0.00000
    135       2.5243      0.00000
    136       2.5947      0.00000
    137       2.6085      0.00000
    138       2.7734      0.00000
    139       2.7924      0.00000
    140       2.8145      0.00000
    141       2.8238      0.00000
    142       2.8941      0.00000
    143       2.9338      0.00000
    144       3.1033      0.00000
    145       3.1674      0.00000
    146       3.3128      0.00000
    147       3.3389      0.00000
    148       3.3938      0.00000
    149       3.4622      0.00000
    150       3.5913      0.00000
    151       3.6343      0.00000
    152       3.6533      0.00000
    153       3.7046      0.00000
    154       3.9118      0.00000
    155       3.9621      0.00000
    156       4.0236      0.00000
    157       4.0708      0.00000
    158       4.2323      0.00000
    159       4.2482      0.00000
    160       4.2814      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2822      1.00000
      2     -22.0766      1.00000
      3     -21.7152      1.00000
      4     -21.6834      1.00000
      5     -20.9780      1.00000
      6     -20.9374      1.00000
      7     -20.6105      1.00000
      8     -20.5737      1.00000
      9     -20.5676      1.00000
     10     -20.0313      1.00000
     11     -19.5020      1.00000
     12     -19.4900      1.00000
     13     -19.3055      1.00000
     14     -19.2999      1.00000
     15     -18.4463      1.00000
     16     -18.4096      1.00000
     17     -17.9210      1.00000
     18     -17.9112      1.00000
     19     -17.7602      1.00000
     20     -17.7245      1.00000
     21     -17.4346      1.00000
     22     -17.4268      1.00000
     23     -17.3395      1.00000
     24     -16.4612      1.00000
     25     -16.4602      1.00000
     26     -15.9657      1.00000
     27     -15.4122      1.00000
     28     -15.4075      1.00000
     29     -15.0946      1.00000
     30     -15.0917      1.00000
     31     -14.8536      1.00000
     32     -14.8455      1.00000
     33     -14.2893      1.00000
     34     -14.2560      1.00000
     35     -13.4358      1.00000
     36     -13.4027      1.00000
     37     -13.1761      1.00000
     38     -13.1720      1.00000
     39     -12.9804      1.00000
     40     -12.9753      1.00000
     41     -12.6118      1.00000
     42     -12.6076      1.00000
     43     -12.1967      1.00000
     44     -11.5744      1.00000
     45     -11.5407      1.00000
     46     -11.3085      1.00000
     47     -11.2858      1.00000
     48     -11.1410      1.00000
     49     -10.6742      1.00000
     50     -10.6596      1.00000
     51     -10.5519      1.00000
     52     -10.3227      1.00000
     53     -10.3157      1.00000
     54     -10.1677      1.00000
     55     -10.1141      1.00000
     56     -10.1106      1.00000
     57      -9.7966      1.00000
     58      -9.7645      1.00000
     59      -9.7499      1.00000
     60      -9.6979      1.00000
     61      -9.6963      1.00000
     62      -9.6605      1.00000
     63      -9.3539      1.00000
     64      -9.3491      1.00000
     65      -9.3131      1.00000
     66      -9.0396      1.00000
     67      -8.9615      1.00000
     68      -8.9472      1.00000
     69      -8.7981      1.00000
     70      -8.5927      1.00000
     71      -8.5561      1.00000
     72      -8.3968      1.00000
     73      -8.3635      1.00000
     74      -8.3226      1.00000
     75      -8.3056      1.00000
     76      -8.2569      1.00000
     77      -8.2555      1.00000
     78      -8.2340      1.00000
     79      -7.9032      1.00000
     80      -7.6496      1.00000
     81      -7.5481      1.00000
     82      -7.3860      1.00000
     83      -7.3479      1.00000
     84      -7.2302      1.00000
     85      -7.0949      1.00000
     86      -7.0369      1.00000
     87      -6.9324      1.00000
     88      -6.8464      1.00000
     89      -6.6102      1.00000
     90      -6.5581      1.00000
     91      -6.2674      1.00000
     92      -6.0423      1.00000
     93      -5.9502      1.00000
     94      -5.6612      1.00000
     95      -5.6213      1.00000
     96      -5.4618      1.00000
     97      -5.3186      1.00000
     98      -5.2773      1.00000
     99      -5.2123      1.00000
    100      -5.1926      1.00000
    101      -4.5077      1.00000
    102      -4.2070      1.00000
    103      -4.0584      1.00000
    104      -3.9878      1.00000
    105      -3.6933      1.00000
    106      -3.4975      1.00000
    107      -1.9449      0.00000
    108      -1.8950      0.00000
    109      -1.3387      0.00000
    110      -1.0841      0.00000
    111      -1.0562      0.00000
    112      -0.7997      0.00000
    113      -0.6757      0.00000
    114      -0.6462      0.00000
    115      -0.6061      0.00000
    116      -0.1068      0.00000
    117       0.2166      0.00000
    118       0.3306      0.00000
    119       0.7055      0.00000
    120       0.8978      0.00000
    121       1.1311      0.00000
    122       1.2010      0.00000
    123       1.3370      0.00000
    124       1.4332      0.00000
    125       1.5593      0.00000
    126       1.5792      0.00000
    127       1.6980      0.00000
    128       1.8082      0.00000
    129       1.8875      0.00000
    130       2.0580      0.00000
    131       2.1010      0.00000
    132       2.2941      0.00000
    133       2.3550      0.00000
    134       2.4144      0.00000
    135       2.5646      0.00000
    136       2.6363      0.00000
    137       2.7110      0.00000
    138       2.7398      0.00000
    139       2.7811      0.00000
    140       2.8780      0.00000
    141       3.0412      0.00000
    142       3.0661      0.00000
    143       3.1769      0.00000
    144       3.2722      0.00000
    145       3.3710      0.00000
    146       3.4243      0.00000
    147       3.4428      0.00000
    148       3.5599      0.00000
    149       3.5802      0.00000
    150       3.6003      0.00000
    151       3.6617      0.00000
    152       3.6828      0.00000
    153       3.7577      0.00000
    154       3.7632      0.00000
    155       3.8117      0.00000
    156       3.8945      0.00000
    157       3.9344      0.00000
    158       3.9995      0.00000
    159       4.2145      0.00000
    160       4.2311      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3162      1.00000
      2     -21.9615      1.00000
      3     -21.8922      1.00000
      4     -21.3795      1.00000
      5     -21.3502      1.00000
      6     -20.8384      1.00000
      7     -20.7730      1.00000
      8     -20.6228      1.00000
      9     -20.0760      1.00000
     10     -20.0705      1.00000
     11     -19.7155      1.00000
     12     -19.6909      1.00000
     13     -18.9948      1.00000
     14     -18.9893      1.00000
     15     -18.6390      1.00000
     16     -18.6231      1.00000
     17     -18.4609      1.00000
     18     -17.6740      1.00000
     19     -17.6236      1.00000
     20     -17.6209      1.00000
     21     -17.5789      1.00000
     22     -17.1251      1.00000
     23     -17.1034      1.00000
     24     -16.9605      1.00000
     25     -16.0004      1.00000
     26     -15.9272      1.00000
     27     -15.5844      1.00000
     28     -15.5842      1.00000
     29     -15.2848      1.00000
     30     -14.8630      1.00000
     31     -14.8355      1.00000
     32     -14.5779      1.00000
     33     -14.5359      1.00000
     34     -14.1663      1.00000
     35     -14.1529      1.00000
     36     -13.1472      1.00000
     37     -13.0996      1.00000
     38     -13.0286      1.00000
     39     -13.0183      1.00000
     40     -12.7079      1.00000
     41     -12.7040      1.00000
     42     -12.3396      1.00000
     43     -12.3084      1.00000
     44     -11.6338      1.00000
     45     -11.6201      1.00000
     46     -11.5695      1.00000
     47     -10.9473      1.00000
     48     -10.9144      1.00000
     49     -10.6315      1.00000
     50     -10.6238      1.00000
     51     -10.5462      1.00000
     52     -10.4976      1.00000
     53     -10.4974      1.00000
     54     -10.4392      1.00000
     55     -10.3599      1.00000
     56     -10.0981      1.00000
     57      -9.9020      1.00000
     58      -9.6083      1.00000
     59      -9.5557      1.00000
     60      -9.4508      1.00000
     61      -9.4100      1.00000
     62      -9.4035      1.00000
     63      -9.3764      1.00000
     64      -9.3764      1.00000
     65      -9.2859      1.00000
     66      -9.1663      1.00000
     67      -9.1408      1.00000
     68      -9.1119      1.00000
     69      -8.8625      1.00000
     70      -8.8550      1.00000
     71      -8.8138      1.00000
     72      -8.5955      1.00000
     73      -8.4786      1.00000
     74      -8.1965      1.00000
     75      -8.1612      1.00000
     76      -8.0072      1.00000
     77      -7.9629      1.00000
     78      -7.8506      1.00000
     79      -7.8398      1.00000
     80      -7.7030      1.00000
     81      -7.6958      1.00000
     82      -7.6204      1.00000
     83      -7.4473      1.00000
     84      -7.2988      1.00000
     85      -7.2517      1.00000
     86      -6.9045      1.00000
     87      -6.8907      1.00000
     88      -6.5870      1.00000
     89      -6.5497      1.00000
     90      -6.4065      1.00000
     91      -6.2521      1.00000
     92      -6.2313      1.00000
     93      -6.2022      1.00000
     94      -6.0215      1.00000
     95      -5.5485      1.00000
     96      -5.4875      1.00000
     97      -5.3490      1.00000
     98      -5.2181      1.00000
     99      -4.9783      1.00000
    100      -4.7315      1.00000
    101      -4.6768      1.00000
    102      -4.3862      1.00000
    103      -4.2023      1.00000
    104      -3.8701      1.00000
    105      -3.5455      1.00000
    106      -3.5096      1.00000
    107      -2.2543      0.00000
    108      -1.4567      0.00000
    109      -1.3690      0.00000
    110      -1.2404      0.00000
    111      -1.0971      0.00000
    112      -0.9445      0.00000
    113      -0.8630      0.00000
    114      -0.8026      0.00000
    115      -0.1381      0.00000
    116       0.1135      0.00000
    117       0.2423      0.00000
    118       0.3791      0.00000
    119       0.6637      0.00000
    120       0.8379      0.00000
    121       0.9379      0.00000
    122       1.0731      0.00000
    123       1.2462      0.00000
    124       1.4555      0.00000
    125       1.5719      0.00000
    126       1.7674      0.00000
    127       1.7919      0.00000
    128       1.8583      0.00000
    129       1.9920      0.00000
    130       2.0428      0.00000
    131       2.1837      0.00000
    132       2.1956      0.00000
    133       2.4068      0.00000
    134       2.4250      0.00000
    135       2.4942      0.00000
    136       2.6062      0.00000
    137       2.6347      0.00000
    138       2.7095      0.00000
    139       2.7724      0.00000
    140       2.8508      0.00000
    141       2.9675      0.00000
    142       3.0832      0.00000
    143       3.1692      0.00000
    144       3.2002      0.00000
    145       3.2338      0.00000
    146       3.3085      0.00000
    147       3.3243      0.00000
    148       3.4724      0.00000
    149       3.5203      0.00000
    150       3.7008      0.00000
    151       3.7250      0.00000
    152       3.7316      0.00000
    153       3.8691      0.00000
    154       3.8985      0.00000
    155       3.9491      0.00000
    156       3.9712      0.00000
    157       3.9887      0.00000
    158       4.0331      0.00000
    159       4.0444      0.00000
    160       4.0499      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2092      1.00000
      2     -22.1162      1.00000
      3     -21.9554      1.00000
      4     -21.4030      1.00000
      5     -21.0485      1.00000
      6     -21.0125      1.00000
      7     -20.4994      1.00000
      8     -20.4598      1.00000
      9     -20.2936      1.00000
     10     -20.2743      1.00000
     11     -19.9562      1.00000
     12     -19.8904      1.00000
     13     -18.8811      1.00000
     14     -18.8123      1.00000
     15     -18.3516      1.00000
     16     -18.3053      1.00000
     17     -18.1517      1.00000
     18     -18.1345      1.00000
     19     -17.8254      1.00000
     20     -17.7879      1.00000
     21     -17.2505      1.00000
     22     -17.2403      1.00000
     23     -17.1634      1.00000
     24     -17.1315      1.00000
     25     -16.1089      1.00000
     26     -15.8837      1.00000
     27     -15.8689      1.00000
     28     -15.8326      1.00000
     29     -15.2351      1.00000
     30     -14.5536      1.00000
     31     -14.5256      1.00000
     32     -14.2787      1.00000
     33     -13.9629      1.00000
     34     -13.9553      1.00000
     35     -13.8192      1.00000
     36     -13.8034      1.00000
     37     -13.6131      1.00000
     38     -13.5693      1.00000
     39     -13.3685      1.00000
     40     -12.6333      1.00000
     41     -12.1794      1.00000
     42     -12.1315      1.00000
     43     -12.0702      1.00000
     44     -12.0180      1.00000
     45     -11.6688      1.00000
     46     -11.6553      1.00000
     47     -11.1374      1.00000
     48     -11.1169      1.00000
     49     -10.7927      1.00000
     50     -10.7292      1.00000
     51     -10.5278      1.00000
     52     -10.2084      1.00000
     53     -10.2037      1.00000
     54     -10.1631      1.00000
     55     -10.0168      1.00000
     56     -10.0029      1.00000
     57      -9.9892      1.00000
     58      -9.8001      1.00000
     59      -9.7964      1.00000
     60      -9.7611      1.00000
     61      -9.7562      1.00000
     62      -9.4525      1.00000
     63      -9.4160      1.00000
     64      -9.0790      1.00000
     65      -9.0717      1.00000
     66      -9.0394      1.00000
     67      -8.9535      1.00000
     68      -8.8758      1.00000
     69      -8.7111      1.00000
     70      -8.6987      1.00000
     71      -8.5639      1.00000
     72      -8.5410      1.00000
     73      -8.4977      1.00000
     74      -8.4620      1.00000
     75      -8.4511      1.00000
     76      -8.2590      1.00000
     77      -8.1240      1.00000
     78      -8.0420      1.00000
     79      -7.9149      1.00000
     80      -7.8618      1.00000
     81      -7.6133      1.00000
     82      -7.5467      1.00000
     83      -7.4879      1.00000
     84      -7.2664      1.00000
     85      -6.9948      1.00000
     86      -6.9222      1.00000
     87      -6.8814      1.00000
     88      -6.5304      1.00000
     89      -6.4851      1.00000
     90      -6.4596      1.00000
     91      -6.4087      1.00000
     92      -5.9825      1.00000
     93      -5.8960      1.00000
     94      -5.7830      1.00000
     95      -5.7582      1.00000
     96      -5.4306      1.00000
     97      -5.3281      1.00000
     98      -5.2286      1.00000
     99      -5.2162      1.00000
    100      -5.1872      1.00000
    101      -4.6911      1.00000
    102      -4.4204      1.00000
    103      -4.2088      1.00000
    104      -3.8333      1.00000
    105      -3.5288      1.00000
    106      -3.2731      1.00000
    107      -2.5297      0.00000
    108      -1.4580      0.00000
    109      -1.2649      0.00000
    110      -1.2018      0.00000
    111      -1.1710      0.00000
    112      -0.7192      0.00000
    113      -0.5025      0.00000
    114      -0.4110      0.00000
    115      -0.3378      0.00000
    116      -0.1450      0.00000
    117      -0.0020      0.00000
    118       0.1957      0.00000
    119       0.5639      0.00000
    120       0.6139      0.00000
    121       0.8064      0.00000
    122       0.9191      0.00000
    123       1.1451      0.00000
    124       1.5088      0.00000
    125       1.6463      0.00000
    126       1.8757      0.00000
    127       1.9399      0.00000
    128       2.0955      0.00000
    129       2.1170      0.00000
    130       2.1334      0.00000
    131       2.1636      0.00000
    132       2.2815      0.00000
    133       2.3113      0.00000
    134       2.4529      0.00000
    135       2.5776      0.00000
    136       2.6671      0.00000
    137       2.8633      0.00000
    138       2.8738      0.00000
    139       2.9052      0.00000
    140       2.9996      0.00000
    141       3.0222      0.00000
    142       3.1383      0.00000
    143       3.1537      0.00000
    144       3.2252      0.00000
    145       3.2742      0.00000
    146       3.2929      0.00000
    147       3.3103      0.00000
    148       3.3557      0.00000
    149       3.4372      0.00000
    150       3.4543      0.00000
    151       3.5626      0.00000
    152       3.6178      0.00000
    153       3.6616      0.00000
    154       3.7021      0.00000
    155       3.7902      0.00000
    156       3.9055      0.00000
    157       3.9363      0.00000
    158       4.0134      0.00000
    159       4.1551      0.00000
    160       4.2371      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3160      1.00000
      2     -21.9630      1.00000
      3     -21.8908      1.00000
      4     -21.3833      1.00000
      5     -21.3468      1.00000
      6     -20.8381      1.00000
      7     -20.7716      1.00000
      8     -20.6236      1.00000
      9     -20.0882      1.00000
     10     -20.0595      1.00000
     11     -19.7171      1.00000
     12     -19.6882      1.00000
     13     -19.0084      1.00000
     14     -18.9773      1.00000
     15     -18.6484      1.00000
     16     -18.6157      1.00000
     17     -18.4591      1.00000
     18     -17.6592      1.00000
     19     -17.6451      1.00000
     20     -17.6090      1.00000
     21     -17.5765      1.00000
     22     -17.1359      1.00000
     23     -17.0959      1.00000
     24     -16.9644      1.00000
     25     -16.0068      1.00000
     26     -15.9219      1.00000
     27     -15.5972      1.00000
     28     -15.5738      1.00000
     29     -15.2785      1.00000
     30     -14.8752      1.00000
     31     -14.8282      1.00000
     32     -14.5730      1.00000
     33     -14.5353      1.00000
     34     -14.1627      1.00000
     35     -14.1586      1.00000
     36     -13.1607      1.00000
     37     -13.0941      1.00000
     38     -13.0213      1.00000
     39     -13.0169      1.00000
     40     -12.7162      1.00000
     41     -12.6930      1.00000
     42     -12.3392      1.00000
     43     -12.3120      1.00000
     44     -11.6304      1.00000
     45     -11.6213      1.00000
     46     -11.5688      1.00000
     47     -10.9395      1.00000
     48     -10.9215      1.00000
     49     -10.6677      1.00000
     50     -10.5880      1.00000
     51     -10.5717      1.00000
     52     -10.4999      1.00000
     53     -10.4872      1.00000
     54     -10.4372      1.00000
     55     -10.3541      1.00000
     56     -10.1024      1.00000
     57      -9.8962      1.00000
     58      -9.6065      1.00000
     59      -9.5493      1.00000
     60      -9.4528      1.00000
     61      -9.4174      1.00000
     62      -9.4075      1.00000
     63      -9.3775      1.00000
     64      -9.3701      1.00000
     65      -9.2660      1.00000
     66      -9.1642      1.00000
     67      -9.1400      1.00000
     68      -9.1147      1.00000
     69      -8.8648      1.00000
     70      -8.8587      1.00000
     71      -8.8010      1.00000
     72      -8.5950      1.00000
     73      -8.5253      1.00000
     74      -8.1919      1.00000
     75      -8.1691      1.00000
     76      -8.0744      1.00000
     77      -7.8556      1.00000
     78      -7.8354      1.00000
     79      -7.8219      1.00000
     80      -7.7090      1.00000
     81      -7.6943      1.00000
     82      -7.5957      1.00000
     83      -7.5286      1.00000
     84      -7.3487      1.00000
     85      -7.1660      1.00000
     86      -6.9042      1.00000
     87      -6.8939      1.00000
     88      -6.5910      1.00000
     89      -6.5498      1.00000
     90      -6.4038      1.00000
     91      -6.3007      1.00000
     92      -6.2460      1.00000
     93      -6.2002      1.00000
     94      -6.0026      1.00000
     95      -5.5305      1.00000
     96      -5.4640      1.00000
     97      -5.3127      1.00000
     98      -5.2081      1.00000
     99      -5.0456      1.00000
    100      -4.7223      1.00000
    101      -4.6705      1.00000
    102      -4.4229      1.00000
    103      -4.1939      1.00000
    104      -3.8420      1.00000
    105      -3.6336      1.00000
    106      -3.4151      1.00000
    107      -2.2919      0.00000
    108      -1.5091      0.00000
    109      -1.2689      0.00000
    110      -1.2612      0.00000
    111      -1.0333      0.00000
    112      -0.9755      0.00000
    113      -0.8669      0.00000
    114      -0.7984      0.00000
    115      -0.2605      0.00000
    116       0.2050      0.00000
    117       0.2406      0.00000
    118       0.3622      0.00000
    119       0.7021      0.00000
    120       0.8964      0.00000
    121       0.9260      0.00000
    122       1.0495      0.00000
    123       1.1780      0.00000
    124       1.5189      0.00000
    125       1.5786      0.00000
    126       1.7179      0.00000
    127       1.7806      0.00000
    128       1.8276      0.00000
    129       1.9497      0.00000
    130       2.0070      0.00000
    131       2.1722      0.00000
    132       2.2820      0.00000
    133       2.4095      0.00000
    134       2.4348      0.00000
    135       2.4896      0.00000
    136       2.6033      0.00000
    137       2.6198      0.00000
    138       2.7138      0.00000
    139       2.7516      0.00000
    140       2.8779      0.00000
    141       3.0504      0.00000
    142       3.0830      0.00000
    143       3.1671      0.00000
    144       3.2144      0.00000
    145       3.2329      0.00000
    146       3.2971      0.00000
    147       3.3430      0.00000
    148       3.4602      0.00000
    149       3.5381      0.00000
    150       3.7024      0.00000
    151       3.7215      0.00000
    152       3.7556      0.00000
    153       3.8360      0.00000
    154       3.8804      0.00000
    155       3.9381      0.00000
    156       3.9755      0.00000
    157       3.9896      0.00000
    158       4.0196      0.00000
    159       4.0292      0.00000
    160       4.0835      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3882      1.00000
      2     -21.8294      1.00000
      3     -21.6400      1.00000
      4     -21.6050      1.00000
      5     -21.2774      1.00000
      6     -21.2304      1.00000
      7     -21.0549      1.00000
      8     -20.1700      1.00000
      9     -20.1238      1.00000
     10     -19.6159      1.00000
     11     -19.5891      1.00000
     12     -19.4140      1.00000
     13     -19.0933      1.00000
     14     -19.0547      1.00000
     15     -19.0502      1.00000
     16     -19.0369      1.00000
     17     -18.3656      1.00000
     18     -18.3454      1.00000
     19     -18.0150      1.00000
     20     -17.0708      1.00000
     21     -17.0220      1.00000
     22     -16.9482      1.00000
     23     -16.9342      1.00000
     24     -16.4732      1.00000
     25     -16.4618      1.00000
     26     -15.6083      1.00000
     27     -15.6078      1.00000
     28     -15.2488      1.00000
     29     -15.2361      1.00000
     30     -15.1893      1.00000
     31     -15.0995      1.00000
     32     -15.0660      1.00000
     33     -14.6973      1.00000
     34     -14.6959      1.00000
     35     -13.7239      1.00000
     36     -13.7234      1.00000
     37     -13.2330      1.00000
     38     -12.6226      1.00000
     39     -12.5778      1.00000
     40     -12.4528      1.00000
     41     -12.4471      1.00000
     42     -12.1043      1.00000
     43     -12.0987      1.00000
     44     -11.7207      1.00000
     45     -11.6822      1.00000
     46     -11.2441      1.00000
     47     -11.2229      1.00000
     48     -11.0156      1.00000
     49     -11.0037      1.00000
     50     -10.9266      1.00000
     51     -10.8980      1.00000
     52     -10.6358      1.00000
     53     -10.1701      1.00000
     54     -10.1473      1.00000
     55     -10.0821      1.00000
     56      -9.9907      1.00000
     57      -9.6945      1.00000
     58      -9.6883      1.00000
     59      -9.6689      1.00000
     60      -9.5900      1.00000
     61      -9.5665      1.00000
     62      -9.5522      1.00000
     63      -9.3107      1.00000
     64      -9.2978      1.00000
     65      -9.2815      1.00000
     66      -9.2424      1.00000
     67      -9.1206      1.00000
     68      -9.1102      1.00000
     69      -9.1088      1.00000
     70      -8.9380      1.00000
     71      -8.8748      1.00000
     72      -8.6038      1.00000
     73      -8.5858      1.00000
     74      -8.2697      1.00000
     75      -8.0986      1.00000
     76      -7.8672      1.00000
     77      -7.8421      1.00000
     78      -7.7891      1.00000
     79      -7.7629      1.00000
     80      -7.7533      1.00000
     81      -7.4460      1.00000
     82      -7.3327      1.00000
     83      -7.3203      1.00000
     84      -7.2644      1.00000
     85      -7.1610      1.00000
     86      -7.0148      1.00000
     87      -6.9846      1.00000
     88      -6.7160      1.00000
     89      -6.6891      1.00000
     90      -6.6302      1.00000
     91      -6.5888      1.00000
     92      -6.1146      1.00000
     93      -6.0581      1.00000
     94      -6.0431      1.00000
     95      -6.0280      1.00000
     96      -5.7466      1.00000
     97      -4.9735      1.00000
     98      -4.8383      1.00000
     99      -4.7076      1.00000
    100      -4.6724      1.00000
    101      -4.4826      1.00000
    102      -4.3516      1.00000
    103      -4.1103      1.00000
    104      -4.0544      1.00000
    105      -3.7539      1.00000
    106      -3.4647      1.00000
    107      -1.9510      0.00000
    108      -1.7700      0.00000
    109      -1.4788      0.00000
    110      -1.3545      0.00000
    111      -1.3344      0.00000
    112      -1.2905      0.00000
    113      -0.6766      0.00000
    114      -0.4708      0.00000
    115      -0.2351      0.00000
    116       0.0534      0.00000
    117       0.6003      0.00000
    118       0.6926      0.00000
    119       0.7715      0.00000
    120       1.0260      0.00000
    121       1.0984      0.00000
    122       1.1813      0.00000
    123       1.2551      0.00000
    124       1.3441      0.00000
    125       1.4481      0.00000
    126       1.6167      0.00000
    127       1.7421      0.00000
    128       1.8479      0.00000
    129       1.8567      0.00000
    130       1.8947      0.00000
    131       2.0410      0.00000
    132       2.2279      0.00000
    133       2.2531      0.00000
    134       2.3052      0.00000
    135       2.4839      0.00000
    136       2.5905      0.00000
    137       2.6408      0.00000
    138       2.7732      0.00000
    139       2.7768      0.00000
    140       2.8207      0.00000
    141       2.8395      0.00000
    142       2.8504      0.00000
    143       2.9202      0.00000
    144       3.1108      0.00000
    145       3.3125      0.00000
    146       3.3307      0.00000
    147       3.3739      0.00000
    148       3.4028      0.00000
    149       3.4197      0.00000
    150       3.5769      0.00000
    151       3.6179      0.00000
    152       3.6694      0.00000
    153       3.7354      0.00000
    154       3.8993      0.00000
    155       3.9328      0.00000
    156       3.9491      0.00000
    157       4.1066      0.00000
    158       4.2090      0.00000
    159       4.2471      0.00000
    160       4.2832      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2083      1.00000
      2     -22.1175      1.00000
      3     -21.9552      1.00000
      4     -21.4032      1.00000
      5     -21.0446      1.00000
      6     -21.0163      1.00000
      7     -20.4945      1.00000
      8     -20.4647      1.00000
      9     -20.2846      1.00000
     10     -20.2827      1.00000
     11     -19.9553      1.00000
     12     -19.8921      1.00000
     13     -18.8820      1.00000
     14     -18.8144      1.00000
     15     -18.3362      1.00000
     16     -18.3168      1.00000
     17     -18.1476      1.00000
     18     -18.1400      1.00000
     19     -17.8143      1.00000
     20     -17.7959      1.00000
     21     -17.2566      1.00000
     22     -17.2371      1.00000
     23     -17.1587      1.00000
     24     -17.1341      1.00000
     25     -16.1141      1.00000
     26     -15.8794      1.00000
     27     -15.8682      1.00000
     28     -15.8389      1.00000
     29     -15.2296      1.00000
     30     -14.5497      1.00000
     31     -14.5314      1.00000
     32     -14.2744      1.00000
     33     -13.9729      1.00000
     34     -13.9491      1.00000
     35     -13.8226      1.00000
     36     -13.8007      1.00000
     37     -13.6028      1.00000
     38     -13.5773      1.00000
     39     -13.3683      1.00000
     40     -12.6365      1.00000
     41     -12.1678      1.00000
     42     -12.1412      1.00000
     43     -12.0670      1.00000
     44     -12.0200      1.00000
     45     -11.6625      1.00000
     46     -11.6579      1.00000
     47     -11.1355      1.00000
     48     -11.1246      1.00000
     49     -10.7897      1.00000
     50     -10.7334      1.00000
     51     -10.5346      1.00000
     52     -10.2061      1.00000
     53     -10.2002      1.00000
     54     -10.1688      1.00000
     55     -10.0208      1.00000
     56      -9.9925      1.00000
     57      -9.9880      1.00000
     58      -9.8031      1.00000
     59      -9.7938      1.00000
     60      -9.7626      1.00000
     61      -9.7553      1.00000
     62      -9.4538      1.00000
     63      -9.4160      1.00000
     64      -9.0827      1.00000
     65      -9.0438      1.00000
     66      -9.0239      1.00000
     67      -8.9693      1.00000
     68      -8.8964      1.00000
     69      -8.7059      1.00000
     70      -8.6970      1.00000
     71      -8.5595      1.00000
     72      -8.5488      1.00000
     73      -8.4764      1.00000
     74      -8.4581      1.00000
     75      -8.4552      1.00000
     76      -8.3072      1.00000
     77      -8.0936      1.00000
     78      -8.0878      1.00000
     79      -7.9240      1.00000
     80      -7.8300      1.00000
     81      -7.5994      1.00000
     82      -7.5368      1.00000
     83      -7.4415      1.00000
     84      -7.3129      1.00000
     85      -6.9910      1.00000
     86      -6.9166      1.00000
     87      -6.8792      1.00000
     88      -6.5276      1.00000
     89      -6.5137      1.00000
     90      -6.4801      1.00000
     91      -6.4190      1.00000
     92      -5.9255      1.00000
     93      -5.9041      1.00000
     94      -5.7875      1.00000
     95      -5.7732      1.00000
     96      -5.3683      1.00000
     97      -5.3614      1.00000
     98      -5.2192      1.00000
     99      -5.2140      1.00000
    100      -5.1970      1.00000
    101      -4.7192      1.00000
    102      -4.4414      1.00000
    103      -4.1900      1.00000
    104      -3.8196      1.00000
    105      -3.5650      1.00000
    106      -3.2197      1.00000
    107      -2.5620      0.00000
    108      -1.4631      0.00000
    109      -1.2648      0.00000
    110      -1.1845      0.00000
    111      -1.1830      0.00000
    112      -0.6438      0.00000
    113      -0.5500      0.00000
    114      -0.4140      0.00000
    115      -0.3464      0.00000
    116      -0.0759      0.00000
    117      -0.0615      0.00000
    118       0.1280      0.00000
    119       0.5937      0.00000
    120       0.6284      0.00000
    121       0.8670      0.00000
    122       0.9985      0.00000
    123       1.0133      0.00000
    124       1.5031      0.00000
    125       1.6947      0.00000
    126       1.7933      0.00000
    127       1.8782      0.00000
    128       2.0925      0.00000
    129       2.1266      0.00000
    130       2.1752      0.00000
    131       2.2112      0.00000
    132       2.2496      0.00000
    133       2.3286      0.00000
    134       2.4866      0.00000
    135       2.5060      0.00000
    136       2.6785      0.00000
    137       2.8541      0.00000
    138       2.8628      0.00000
    139       2.9640      0.00000
    140       2.9883      0.00000
    141       3.0377      0.00000
    142       3.1479      0.00000
    143       3.1491      0.00000
    144       3.2426      0.00000
    145       3.2541      0.00000
    146       3.2834      0.00000
    147       3.3127      0.00000
    148       3.3653      0.00000
    149       3.4296      0.00000
    150       3.5604      0.00000
    151       3.5741      0.00000
    152       3.6514      0.00000
    153       3.6524      0.00000
    154       3.6706      0.00000
    155       3.7045      0.00000
    156       3.9089      0.00000
    157       3.9532      0.00000
    158       4.0480      0.00000
    159       4.0994      0.00000
    160       4.2027      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2818      1.00000
      2     -22.0771      1.00000
      3     -21.7189      1.00000
      4     -21.6796      1.00000
      5     -20.9814      1.00000
      6     -20.9336      1.00000
      7     -20.6098      1.00000
      8     -20.5777      1.00000
      9     -20.5641      1.00000
     10     -20.0306      1.00000
     11     -19.5123      1.00000
     12     -19.4817      1.00000
     13     -19.3103      1.00000
     14     -19.2967      1.00000
     15     -18.4480      1.00000
     16     -18.4049      1.00000
     17     -17.9263      1.00000
     18     -17.9055      1.00000
     19     -17.7643      1.00000
     20     -17.7193      1.00000
     21     -17.4403      1.00000
     22     -17.4214      1.00000
     23     -17.3366      1.00000
     24     -16.4694      1.00000
     25     -16.4596      1.00000
     26     -15.9681      1.00000
     27     -15.4099      1.00000
     28     -15.4087      1.00000
     29     -15.0946      1.00000
     30     -15.0918      1.00000
     31     -14.8521      1.00000
     32     -14.8391      1.00000
     33     -14.2959      1.00000
     34     -14.2517      1.00000
     35     -13.4424      1.00000
     36     -13.3980      1.00000
     37     -13.1741      1.00000
     38     -13.1722      1.00000
     39     -12.9836      1.00000
     40     -12.9744      1.00000
     41     -12.6098      1.00000
     42     -12.6071      1.00000
     43     -12.1944      1.00000
     44     -11.5787      1.00000
     45     -11.5375      1.00000
     46     -11.3124      1.00000
     47     -11.2822      1.00000
     48     -11.1396      1.00000
     49     -10.6915      1.00000
     50     -10.6615      1.00000
     51     -10.5458      1.00000
     52     -10.3202      1.00000
     53     -10.3123      1.00000
     54     -10.1741      1.00000
     55     -10.1199      1.00000
     56     -10.1070      1.00000
     57      -9.8097      1.00000
     58      -9.7502      1.00000
     59      -9.7501      1.00000
     60      -9.6997      1.00000
     61      -9.6963      1.00000
     62      -9.6452      1.00000
     63      -9.3503      1.00000
     64      -9.3491      1.00000
     65      -9.3174      1.00000
     66      -9.0265      1.00000
     67      -8.9595      1.00000
     68      -8.9560      1.00000
     69      -8.7738      1.00000
     70      -8.5913      1.00000
     71      -8.5869      1.00000
     72      -8.4223      1.00000
     73      -8.3480      1.00000
     74      -8.3213      1.00000
     75      -8.3008      1.00000
     76      -8.2643      1.00000
     77      -8.2537      1.00000
     78      -8.2385      1.00000
     79      -7.9199      1.00000
     80      -7.7323      1.00000
     81      -7.3772      1.00000
     82      -7.3468      1.00000
     83      -7.3220      1.00000
     84      -7.2145      1.00000
     85      -7.1585      1.00000
     86      -7.0636      1.00000
     87      -6.9590      1.00000
     88      -6.9036      1.00000
     89      -6.6135      1.00000
     90      -6.5535      1.00000
     91      -6.2712      1.00000
     92      -5.9950      1.00000
     93      -5.9581      1.00000
     94      -5.6738      1.00000
     95      -5.6471      1.00000
     96      -5.3860      1.00000
     97      -5.3140      1.00000
     98      -5.2926      1.00000
     99      -5.2104      1.00000
    100      -5.1988      1.00000
    101      -4.5107      1.00000
    102      -4.3382      1.00000
    103      -3.9950      1.00000
    104      -3.8848      1.00000
    105      -3.7919      1.00000
    106      -3.4424      1.00000
    107      -2.0349      0.00000
    108      -1.8621      0.00000
    109      -1.2170      0.00000
    110      -1.1816      0.00000
    111      -1.0352      0.00000
    112      -0.7715      0.00000
    113      -0.6759      0.00000
    114      -0.6592      0.00000
    115      -0.6080      0.00000
    116      -0.1000      0.00000
    117       0.2242      0.00000
    118       0.2420      0.00000
    119       0.7826      0.00000
    120       0.9950      0.00000
    121       1.0765      0.00000
    122       1.2451      0.00000
    123       1.2542      0.00000
    124       1.3514      0.00000
    125       1.5843      0.00000
    126       1.5858      0.00000
    127       1.7226      0.00000
    128       1.7952      0.00000
    129       1.9626      0.00000
    130       1.9852      0.00000
    131       2.0436      0.00000
    132       2.2537      0.00000
    133       2.3428      0.00000
    134       2.4325      0.00000
    135       2.5576      0.00000
    136       2.6354      0.00000
    137       2.7166      0.00000
    138       2.7853      0.00000
    139       2.8567      0.00000
    140       2.8618      0.00000
    141       3.0367      0.00000
    142       3.1132      0.00000
    143       3.1723      0.00000
    144       3.2251      0.00000
    145       3.3791      0.00000
    146       3.4201      0.00000
    147       3.5087      0.00000
    148       3.5489      0.00000
    149       3.5939      0.00000
    150       3.6054      0.00000
    151       3.6544      0.00000
    152       3.7430      0.00000
    153       3.7509      0.00000
    154       3.7599      0.00000
    155       3.7676      0.00000
    156       3.8783      0.00000
    157       4.0228      0.00000
    158       4.0992      0.00000
    159       4.1788      0.00000
    160       4.2244      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4249      1.00000
      2     -21.6018      1.00000
      3     -21.4800      1.00000
      4     -21.4709      1.00000
      5     -21.4393      1.00000
      6     -21.4386      1.00000
      7     -21.4283      1.00000
      8     -19.7062      1.00000
      9     -19.6510      1.00000
     10     -19.6277      1.00000
     11     -19.6169      1.00000
     12     -19.6118      1.00000
     13     -19.6101      1.00000
     14     -18.7888      1.00000
     15     -18.7529      1.00000
     16     -18.7331      1.00000
     17     -18.7237      1.00000
     18     -18.7162      1.00000
     19     -18.7118      1.00000
     20     -16.6332      1.00000
     21     -16.6074      1.00000
     22     -16.5833      1.00000
     23     -16.5800      1.00000
     24     -16.5527      1.00000
     25     -16.5512      1.00000
     26     -15.6126      1.00000
     27     -15.6014      1.00000
     28     -15.5976      1.00000
     29     -15.5629      1.00000
     30     -15.5614      1.00000
     31     -15.5591      1.00000
     32     -14.2579      1.00000
     33     -14.2486      1.00000
     34     -14.2395      1.00000
     35     -14.2347      1.00000
     36     -14.2203      1.00000
     37     -14.2177      1.00000
     38     -11.9044      1.00000
     39     -11.8777      1.00000
     40     -11.8672      1.00000
     41     -11.8633      1.00000
     42     -11.8428      1.00000
     43     -11.8428      1.00000
     44     -11.7691      1.00000
     45     -11.7672      1.00000
     46     -11.7332      1.00000
     47     -11.7270      1.00000
     48     -11.7240      1.00000
     49     -11.7204      1.00000
     50     -10.6748      1.00000
     51     -10.3864      1.00000
     52     -10.3824      1.00000
     53     -10.3752      1.00000
     54     -10.3664      1.00000
     55     -10.3545      1.00000
     56     -10.3518      1.00000
     57      -9.9028      1.00000
     58      -9.4491      1.00000
     59      -9.4039      1.00000
     60      -9.3608      1.00000
     61      -9.3602      1.00000
     62      -9.3523      1.00000
     63      -9.1403      1.00000
     64      -9.1218      1.00000
     65      -9.1192      1.00000
     66      -9.0840      1.00000
     67      -9.0697      1.00000
     68      -9.0687      1.00000
     69      -9.0677      1.00000
     70      -9.0631      1.00000
     71      -9.0628      1.00000
     72      -9.0367      1.00000
     73      -9.0264      1.00000
     74      -9.0246      1.00000
     75      -8.1285      1.00000
     76      -7.7451      1.00000
     77      -7.4684      1.00000
     78      -7.4644      1.00000
     79      -7.4520      1.00000
     80      -7.4329      1.00000
     81      -7.4227      1.00000
     82      -7.4040      1.00000
     83      -7.3110      1.00000
     84      -7.2697      1.00000
     85      -7.2559      1.00000
     86      -7.2470      1.00000
     87      -7.1486      1.00000
     88      -7.0473      1.00000
     89      -6.4448      1.00000
     90      -6.4142      1.00000
     91      -6.3986      1.00000
     92      -6.3619      1.00000
     93      -6.3516      1.00000
     94      -6.3389      1.00000
     95      -5.9586      1.00000
     96      -5.9550      1.00000
     97      -4.8054      1.00000
     98      -4.5434      1.00000
     99      -4.4801      1.00000
    100      -4.4734      1.00000
    101      -4.3810      1.00000
    102      -4.3803      1.00000
    103      -4.2662      1.00000
    104      -4.1864      1.00000
    105      -3.7382      1.00000
    106      -3.4769      1.00000
    107      -1.8625      0.00000
    108      -1.6690      0.00000
    109      -1.6223      0.00000
    110      -1.5900      0.00000
    111      -1.5745      0.00000
    112      -1.5736      0.00000
    113      -0.4279      0.00000
    114       0.1482      0.00000
    115       0.1922      0.00000
    116       0.2559      0.00000
    117       0.2691      0.00000
    118       0.2725      0.00000
    119       0.4791      0.00000
    120       0.5612      0.00000
    121       1.2610      0.00000
    122       1.2942      0.00000
    123       1.5511      0.00000
    124       1.7603      0.00000
    125       1.7835      0.00000
    126       1.7864      0.00000
    127       1.7875      0.00000
    128       1.8343      0.00000
    129       1.9584      0.00000
    130       1.9735      0.00000
    131       1.9761      0.00000
    132       1.9902      0.00000
    133       1.9973      0.00000
    134       2.0918      0.00000
    135       2.2707      0.00000
    136       2.3414      0.00000
    137       2.6359      0.00000
    138       2.6378      0.00000
    139       2.6691      0.00000
    140       2.7063      0.00000
    141       2.9454      0.00000
    142       3.0179      0.00000
    143       3.0180      0.00000
    144       3.0424      0.00000
    145       3.0443      0.00000
    146       3.0452      0.00000
    147       3.0862      0.00000
    148       3.2842      0.00000
    149       3.4415      0.00000
    150       3.5147      0.00000
    151       3.8124      0.00000
    152       3.9402      0.00000
    153       3.9426      0.00000
    154       3.9442      0.00000
    155       3.9493      0.00000
    156       3.9986      0.00000
    157       4.1896      0.00000
    158       4.2695      0.00000
    159       4.2759      0.00000
    160       4.2912      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3882      1.00000
      2     -21.8291      1.00000
      3     -21.6367      1.00000
      4     -21.6090      1.00000
      5     -21.2732      1.00000
      6     -21.2338      1.00000
      7     -21.0555      1.00000
      8     -20.1663      1.00000
      9     -20.1281      1.00000
     10     -19.6072      1.00000
     11     -19.5959      1.00000
     12     -19.4158      1.00000
     13     -19.0882      1.00000
     14     -19.0587      1.00000
     15     -19.0475      1.00000
     16     -19.0396      1.00000
     17     -18.3593      1.00000
     18     -18.3505      1.00000
     19     -18.0177      1.00000
     20     -17.0678      1.00000
     21     -17.0290      1.00000
     22     -16.9426      1.00000
     23     -16.9384      1.00000
     24     -16.4663      1.00000
     25     -16.4617      1.00000
     26     -15.6118      1.00000
     27     -15.6061      1.00000
     28     -15.2509      1.00000
     29     -15.2419      1.00000
     30     -15.1835      1.00000
     31     -15.0970      1.00000
     32     -15.0696      1.00000
     33     -14.6969      1.00000
     34     -14.6946      1.00000
     35     -13.7251      1.00000
     36     -13.7219      1.00000
     37     -13.2346      1.00000
     38     -12.6133      1.00000
     39     -12.5826      1.00000
     40     -12.4531      1.00000
     41     -12.4489      1.00000
     42     -12.1079      1.00000
     43     -12.1026      1.00000
     44     -11.7151      1.00000
     45     -11.6843      1.00000
     46     -11.2335      1.00000
     47     -11.2247      1.00000
     48     -11.0165      1.00000
     49     -11.0082      1.00000
     50     -10.9245      1.00000
     51     -10.9033      1.00000
     52     -10.6298      1.00000
     53     -10.1541      1.00000
     54     -10.1492      1.00000
     55     -10.0909      1.00000
     56      -9.9973      1.00000
     57      -9.7006      1.00000
     58      -9.6942      1.00000
     59      -9.6542      1.00000
     60      -9.5907      1.00000
     61      -9.5741      1.00000
     62      -9.5575      1.00000
     63      -9.3061      1.00000
     64      -9.3016      1.00000
     65      -9.2725      1.00000
     66      -9.2343      1.00000
     67      -9.1352      1.00000
     68      -9.1147      1.00000
     69      -9.1091      1.00000
     70      -8.9381      1.00000
     71      -8.8699      1.00000
     72      -8.6021      1.00000
     73      -8.5893      1.00000
     74      -8.2351      1.00000
     75      -8.0998      1.00000
     76      -7.9120      1.00000
     77      -7.8615      1.00000
     78      -7.7710      1.00000
     79      -7.7550      1.00000
     80      -7.6904      1.00000
     81      -7.5593      1.00000
     82      -7.3384      1.00000
     83      -7.3210      1.00000
     84      -7.2029      1.00000
     85      -7.1216      1.00000
     86      -7.0303      1.00000
     87      -7.0100      1.00000
     88      -6.7030      1.00000
     89      -6.6763      1.00000
     90      -6.6393      1.00000
     91      -6.5963      1.00000
     92      -6.1154      1.00000
     93      -6.0604      1.00000
     94      -6.0291      1.00000
     95      -6.0099      1.00000
     96      -5.7818      1.00000
     97      -4.9733      1.00000
     98      -4.8310      1.00000
     99      -4.7455      1.00000
    100      -4.6782      1.00000
    101      -4.4679      1.00000
    102      -4.2026      1.00000
    103      -4.1710      1.00000
    104      -4.1266      1.00000
    105      -3.7286      1.00000
    106      -3.4872      1.00000
    107      -1.8699      0.00000
    108      -1.8071      0.00000
    109      -1.5238      0.00000
    110      -1.3754      0.00000
    111      -1.3207      0.00000
    112      -1.2867      0.00000
    113      -0.7194      0.00000
    114      -0.3752      0.00000
    115      -0.2480      0.00000
    116       0.0386      0.00000
    117       0.5666      0.00000
    118       0.7022      0.00000
    119       0.7481      0.00000
    120       1.0508      0.00000
    121       1.1006      0.00000
    122       1.1562      0.00000
    123       1.2304      0.00000
    124       1.3884      0.00000
    125       1.5341      0.00000
    126       1.6015      0.00000
    127       1.7199      0.00000
    128       1.7900      0.00000
    129       1.8581      0.00000
    130       1.8850      0.00000
    131       2.1019      0.00000
    132       2.2048      0.00000
    133       2.2496      0.00000
    134       2.3221      0.00000
    135       2.5243      0.00000
    136       2.5946      0.00000
    137       2.6085      0.00000
    138       2.7735      0.00000
    139       2.7924      0.00000
    140       2.8145      0.00000
    141       2.8238      0.00000
    142       2.8941      0.00000
    143       2.9339      0.00000
    144       3.1034      0.00000
    145       3.1674      0.00000
    146       3.3128      0.00000
    147       3.3389      0.00000
    148       3.3938      0.00000
    149       3.4622      0.00000
    150       3.5913      0.00000
    151       3.6344      0.00000
    152       3.6534      0.00000
    153       3.7046      0.00000
    154       3.9119      0.00000
    155       3.9622      0.00000
    156       4.0236      0.00000
    157       4.0708      0.00000
    158       4.2324      0.00000
    159       4.2482      0.00000
    160       4.2814      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2822      1.00000
      2     -22.0766      1.00000
      3     -21.7152      1.00000
      4     -21.6834      1.00000
      5     -20.9780      1.00000
      6     -20.9374      1.00000
      7     -20.6105      1.00000
      8     -20.5737      1.00000
      9     -20.5676      1.00000
     10     -20.0313      1.00000
     11     -19.5020      1.00000
     12     -19.4900      1.00000
     13     -19.3055      1.00000
     14     -19.2999      1.00000
     15     -18.4463      1.00000
     16     -18.4096      1.00000
     17     -17.9210      1.00000
     18     -17.9112      1.00000
     19     -17.7602      1.00000
     20     -17.7245      1.00000
     21     -17.4346      1.00000
     22     -17.4268      1.00000
     23     -17.3395      1.00000
     24     -16.4612      1.00000
     25     -16.4602      1.00000
     26     -15.9657      1.00000
     27     -15.4122      1.00000
     28     -15.4075      1.00000
     29     -15.0946      1.00000
     30     -15.0917      1.00000
     31     -14.8536      1.00000
     32     -14.8455      1.00000
     33     -14.2893      1.00000
     34     -14.2560      1.00000
     35     -13.4358      1.00000
     36     -13.4027      1.00000
     37     -13.1761      1.00000
     38     -13.1720      1.00000
     39     -12.9804      1.00000
     40     -12.9753      1.00000
     41     -12.6118      1.00000
     42     -12.6076      1.00000
     43     -12.1967      1.00000
     44     -11.5744      1.00000
     45     -11.5407      1.00000
     46     -11.3085      1.00000
     47     -11.2858      1.00000
     48     -11.1410      1.00000
     49     -10.6742      1.00000
     50     -10.6596      1.00000
     51     -10.5519      1.00000
     52     -10.3227      1.00000
     53     -10.3157      1.00000
     54     -10.1677      1.00000
     55     -10.1141      1.00000
     56     -10.1106      1.00000
     57      -9.7966      1.00000
     58      -9.7645      1.00000
     59      -9.7499      1.00000
     60      -9.6979      1.00000
     61      -9.6963      1.00000
     62      -9.6605      1.00000
     63      -9.3539      1.00000
     64      -9.3491      1.00000
     65      -9.3131      1.00000
     66      -9.0396      1.00000
     67      -8.9615      1.00000
     68      -8.9472      1.00000
     69      -8.7981      1.00000
     70      -8.5927      1.00000
     71      -8.5561      1.00000
     72      -8.3968      1.00000
     73      -8.3635      1.00000
     74      -8.3226      1.00000
     75      -8.3056      1.00000
     76      -8.2569      1.00000
     77      -8.2555      1.00000
     78      -8.2340      1.00000
     79      -7.9032      1.00000
     80      -7.6496      1.00000
     81      -7.5481      1.00000
     82      -7.3860      1.00000
     83      -7.3479      1.00000
     84      -7.2302      1.00000
     85      -7.0949      1.00000
     86      -7.0369      1.00000
     87      -6.9324      1.00000
     88      -6.8464      1.00000
     89      -6.6102      1.00000
     90      -6.5581      1.00000
     91      -6.2674      1.00000
     92      -6.0423      1.00000
     93      -5.9502      1.00000
     94      -5.6612      1.00000
     95      -5.6213      1.00000
     96      -5.4618      1.00000
     97      -5.3186      1.00000
     98      -5.2773      1.00000
     99      -5.2123      1.00000
    100      -5.1926      1.00000
    101      -4.5077      1.00000
    102      -4.2070      1.00000
    103      -4.0584      1.00000
    104      -3.9878      1.00000
    105      -3.6933      1.00000
    106      -3.4975      1.00000
    107      -1.9449      0.00000
    108      -1.8950      0.00000
    109      -1.3387      0.00000
    110      -1.0841      0.00000
    111      -1.0562      0.00000
    112      -0.7997      0.00000
    113      -0.6757      0.00000
    114      -0.6462      0.00000
    115      -0.6061      0.00000
    116      -0.1068      0.00000
    117       0.2166      0.00000
    118       0.3307      0.00000
    119       0.7056      0.00000
    120       0.8979      0.00000
    121       1.1311      0.00000
    122       1.2011      0.00000
    123       1.3370      0.00000
    124       1.4333      0.00000
    125       1.5593      0.00000
    126       1.5792      0.00000
    127       1.6980      0.00000
    128       1.8082      0.00000
    129       1.8876      0.00000
    130       2.0580      0.00000
    131       2.1011      0.00000
    132       2.2941      0.00000
    133       2.3550      0.00000
    134       2.4146      0.00000
    135       2.5647      0.00000
    136       2.6364      0.00000
    137       2.7110      0.00000
    138       2.7399      0.00000
    139       2.7811      0.00000
    140       2.8780      0.00000
    141       3.0412      0.00000
    142       3.0662      0.00000
    143       3.1770      0.00000
    144       3.2722      0.00000
    145       3.3710      0.00000
    146       3.4243      0.00000
    147       3.4428      0.00000
    148       3.5599      0.00000
    149       3.5802      0.00000
    150       3.6004      0.00000
    151       3.6617      0.00000
    152       3.6828      0.00000
    153       3.7577      0.00000
    154       3.7632      0.00000
    155       3.8118      0.00000
    156       3.8945      0.00000
    157       3.9344      0.00000
    158       3.9998      0.00000
    159       4.2146      0.00000
    160       4.2311      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3162      1.00000
      2     -21.9615      1.00000
      3     -21.8922      1.00000
      4     -21.3795      1.00000
      5     -21.3502      1.00000
      6     -20.8384      1.00000
      7     -20.7730      1.00000
      8     -20.6228      1.00000
      9     -20.0760      1.00000
     10     -20.0705      1.00000
     11     -19.7155      1.00000
     12     -19.6909      1.00000
     13     -18.9948      1.00000
     14     -18.9893      1.00000
     15     -18.6390      1.00000
     16     -18.6231      1.00000
     17     -18.4609      1.00000
     18     -17.6740      1.00000
     19     -17.6236      1.00000
     20     -17.6209      1.00000
     21     -17.5789      1.00000
     22     -17.1251      1.00000
     23     -17.1034      1.00000
     24     -16.9605      1.00000
     25     -16.0004      1.00000
     26     -15.9272      1.00000
     27     -15.5844      1.00000
     28     -15.5842      1.00000
     29     -15.2848      1.00000
     30     -14.8630      1.00000
     31     -14.8355      1.00000
     32     -14.5779      1.00000
     33     -14.5359      1.00000
     34     -14.1663      1.00000
     35     -14.1529      1.00000
     36     -13.1472      1.00000
     37     -13.0996      1.00000
     38     -13.0286      1.00000
     39     -13.0183      1.00000
     40     -12.7079      1.00000
     41     -12.7040      1.00000
     42     -12.3396      1.00000
     43     -12.3084      1.00000
     44     -11.6338      1.00000
     45     -11.6201      1.00000
     46     -11.5695      1.00000
     47     -10.9473      1.00000
     48     -10.9144      1.00000
     49     -10.6315      1.00000
     50     -10.6238      1.00000
     51     -10.5462      1.00000
     52     -10.4976      1.00000
     53     -10.4974      1.00000
     54     -10.4392      1.00000
     55     -10.3599      1.00000
     56     -10.0981      1.00000
     57      -9.9020      1.00000
     58      -9.6083      1.00000
     59      -9.5557      1.00000
     60      -9.4508      1.00000
     61      -9.4100      1.00000
     62      -9.4035      1.00000
     63      -9.3764      1.00000
     64      -9.3764      1.00000
     65      -9.2859      1.00000
     66      -9.1663      1.00000
     67      -9.1408      1.00000
     68      -9.1119      1.00000
     69      -8.8625      1.00000
     70      -8.8550      1.00000
     71      -8.8138      1.00000
     72      -8.5955      1.00000
     73      -8.4787      1.00000
     74      -8.1965      1.00000
     75      -8.1612      1.00000
     76      -8.0072      1.00000
     77      -7.9629      1.00000
     78      -7.8506      1.00000
     79      -7.8398      1.00000
     80      -7.7030      1.00000
     81      -7.6958      1.00000
     82      -7.6204      1.00000
     83      -7.4473      1.00000
     84      -7.2988      1.00000
     85      -7.2517      1.00000
     86      -6.9045      1.00000
     87      -6.8907      1.00000
     88      -6.5870      1.00000
     89      -6.5497      1.00000
     90      -6.4065      1.00000
     91      -6.2521      1.00000
     92      -6.2313      1.00000
     93      -6.2022      1.00000
     94      -6.0215      1.00000
     95      -5.5485      1.00000
     96      -5.4875      1.00000
     97      -5.3490      1.00000
     98      -5.2181      1.00000
     99      -4.9783      1.00000
    100      -4.7315      1.00000
    101      -4.6768      1.00000
    102      -4.3863      1.00000
    103      -4.2023      1.00000
    104      -3.8701      1.00000
    105      -3.5455      1.00000
    106      -3.5096      1.00000
    107      -2.2543      0.00000
    108      -1.4567      0.00000
    109      -1.3690      0.00000
    110      -1.2404      0.00000
    111      -1.0971      0.00000
    112      -0.9445      0.00000
    113      -0.8630      0.00000
    114      -0.8026      0.00000
    115      -0.1380      0.00000
    116       0.1135      0.00000
    117       0.2423      0.00000
    118       0.3791      0.00000
    119       0.6638      0.00000
    120       0.8380      0.00000
    121       0.9379      0.00000
    122       1.0732      0.00000
    123       1.2462      0.00000
    124       1.4555      0.00000
    125       1.5719      0.00000
    126       1.7674      0.00000
    127       1.7919      0.00000
    128       1.8584      0.00000
    129       1.9921      0.00000
    130       2.0429      0.00000
    131       2.1837      0.00000
    132       2.1957      0.00000
    133       2.4068      0.00000
    134       2.4251      0.00000
    135       2.4942      0.00000
    136       2.6062      0.00000
    137       2.6347      0.00000
    138       2.7097      0.00000
    139       2.7724      0.00000
    140       2.8509      0.00000
    141       2.9676      0.00000
    142       3.0833      0.00000
    143       3.1692      0.00000
    144       3.2002      0.00000
    145       3.2338      0.00000
    146       3.3085      0.00000
    147       3.3243      0.00000
    148       3.4725      0.00000
    149       3.5204      0.00000
    150       3.7009      0.00000
    151       3.7251      0.00000
    152       3.7317      0.00000
    153       3.8691      0.00000
    154       3.8986      0.00000
    155       3.9492      0.00000
    156       3.9712      0.00000
    157       3.9887      0.00000
    158       4.0331      0.00000
    159       4.0444      0.00000
    160       4.0499      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2092      1.00000
      2     -22.1162      1.00000
      3     -21.9554      1.00000
      4     -21.4030      1.00000
      5     -21.0485      1.00000
      6     -21.0125      1.00000
      7     -20.4994      1.00000
      8     -20.4598      1.00000
      9     -20.2936      1.00000
     10     -20.2743      1.00000
     11     -19.9562      1.00000
     12     -19.8904      1.00000
     13     -18.8811      1.00000
     14     -18.8123      1.00000
     15     -18.3516      1.00000
     16     -18.3053      1.00000
     17     -18.1517      1.00000
     18     -18.1345      1.00000
     19     -17.8254      1.00000
     20     -17.7879      1.00000
     21     -17.2505      1.00000
     22     -17.2403      1.00000
     23     -17.1634      1.00000
     24     -17.1315      1.00000
     25     -16.1089      1.00000
     26     -15.8837      1.00000
     27     -15.8689      1.00000
     28     -15.8326      1.00000
     29     -15.2351      1.00000
     30     -14.5536      1.00000
     31     -14.5256      1.00000
     32     -14.2787      1.00000
     33     -13.9629      1.00000
     34     -13.9553      1.00000
     35     -13.8192      1.00000
     36     -13.8034      1.00000
     37     -13.6131      1.00000
     38     -13.5693      1.00000
     39     -13.3685      1.00000
     40     -12.6333      1.00000
     41     -12.1794      1.00000
     42     -12.1315      1.00000
     43     -12.0702      1.00000
     44     -12.0180      1.00000
     45     -11.6688      1.00000
     46     -11.6553      1.00000
     47     -11.1374      1.00000
     48     -11.1169      1.00000
     49     -10.7927      1.00000
     50     -10.7292      1.00000
     51     -10.5278      1.00000
     52     -10.2084      1.00000
     53     -10.2037      1.00000
     54     -10.1631      1.00000
     55     -10.0168      1.00000
     56     -10.0029      1.00000
     57      -9.9892      1.00000
     58      -9.8001      1.00000
     59      -9.7964      1.00000
     60      -9.7611      1.00000
     61      -9.7562      1.00000
     62      -9.4525      1.00000
     63      -9.4160      1.00000
     64      -9.0790      1.00000
     65      -9.0717      1.00000
     66      -9.0394      1.00000
     67      -8.9535      1.00000
     68      -8.8758      1.00000
     69      -8.7111      1.00000
     70      -8.6987      1.00000
     71      -8.5639      1.00000
     72      -8.5410      1.00000
     73      -8.4977      1.00000
     74      -8.4620      1.00000
     75      -8.4511      1.00000
     76      -8.2590      1.00000
     77      -8.1240      1.00000
     78      -8.0420      1.00000
     79      -7.9149      1.00000
     80      -7.8618      1.00000
     81      -7.6133      1.00000
     82      -7.5467      1.00000
     83      -7.4879      1.00000
     84      -7.2664      1.00000
     85      -6.9948      1.00000
     86      -6.9222      1.00000
     87      -6.8814      1.00000
     88      -6.5304      1.00000
     89      -6.4851      1.00000
     90      -6.4596      1.00000
     91      -6.4087      1.00000
     92      -5.9825      1.00000
     93      -5.8960      1.00000
     94      -5.7830      1.00000
     95      -5.7582      1.00000
     96      -5.4306      1.00000
     97      -5.3281      1.00000
     98      -5.2286      1.00000
     99      -5.2162      1.00000
    100      -5.1872      1.00000
    101      -4.6911      1.00000
    102      -4.4204      1.00000
    103      -4.2088      1.00000
    104      -3.8333      1.00000
    105      -3.5288      1.00000
    106      -3.2731      1.00000
    107      -2.5297      0.00000
    108      -1.4580      0.00000
    109      -1.2649      0.00000
    110      -1.2018      0.00000
    111      -1.1710      0.00000
    112      -0.7192      0.00000
    113      -0.5025      0.00000
    114      -0.4110      0.00000
    115      -0.3378      0.00000
    116      -0.1450      0.00000
    117      -0.0020      0.00000
    118       0.1958      0.00000
    119       0.5639      0.00000
    120       0.6139      0.00000
    121       0.8064      0.00000
    122       0.9192      0.00000
    123       1.1451      0.00000
    124       1.5089      0.00000
    125       1.6463      0.00000
    126       1.8758      0.00000
    127       1.9400      0.00000
    128       2.0955      0.00000
    129       2.1170      0.00000
    130       2.1335      0.00000
    131       2.1636      0.00000
    132       2.2815      0.00000
    133       2.3113      0.00000
    134       2.4529      0.00000
    135       2.5777      0.00000
    136       2.6672      0.00000
    137       2.8633      0.00000
    138       2.8738      0.00000
    139       2.9053      0.00000
    140       2.9996      0.00000
    141       3.0222      0.00000
    142       3.1383      0.00000
    143       3.1538      0.00000
    144       3.2252      0.00000
    145       3.2742      0.00000
    146       3.2929      0.00000
    147       3.3103      0.00000
    148       3.3557      0.00000
    149       3.4372      0.00000
    150       3.4544      0.00000
    151       3.5627      0.00000
    152       3.6178      0.00000
    153       3.6616      0.00000
    154       3.7021      0.00000
    155       3.7904      0.00000
    156       3.9055      0.00000
    157       3.9363      0.00000
    158       4.0135      0.00000
    159       4.1551      0.00000
    160       4.2371      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3160      1.00000
      2     -21.9630      1.00000
      3     -21.8908      1.00000
      4     -21.3833      1.00000
      5     -21.3468      1.00000
      6     -20.8381      1.00000
      7     -20.7716      1.00000
      8     -20.6236      1.00000
      9     -20.0882      1.00000
     10     -20.0595      1.00000
     11     -19.7171      1.00000
     12     -19.6882      1.00000
     13     -19.0084      1.00000
     14     -18.9773      1.00000
     15     -18.6484      1.00000
     16     -18.6157      1.00000
     17     -18.4591      1.00000
     18     -17.6592      1.00000
     19     -17.6451      1.00000
     20     -17.6090      1.00000
     21     -17.5765      1.00000
     22     -17.1359      1.00000
     23     -17.0959      1.00000
     24     -16.9644      1.00000
     25     -16.0068      1.00000
     26     -15.9219      1.00000
     27     -15.5972      1.00000
     28     -15.5738      1.00000
     29     -15.2785      1.00000
     30     -14.8752      1.00000
     31     -14.8282      1.00000
     32     -14.5730      1.00000
     33     -14.5353      1.00000
     34     -14.1627      1.00000
     35     -14.1586      1.00000
     36     -13.1607      1.00000
     37     -13.0941      1.00000
     38     -13.0213      1.00000
     39     -13.0169      1.00000
     40     -12.7162      1.00000
     41     -12.6930      1.00000
     42     -12.3392      1.00000
     43     -12.3120      1.00000
     44     -11.6304      1.00000
     45     -11.6213      1.00000
     46     -11.5688      1.00000
     47     -10.9395      1.00000
     48     -10.9215      1.00000
     49     -10.6677      1.00000
     50     -10.5880      1.00000
     51     -10.5717      1.00000
     52     -10.4999      1.00000
     53     -10.4872      1.00000
     54     -10.4372      1.00000
     55     -10.3541      1.00000
     56     -10.1024      1.00000
     57      -9.8962      1.00000
     58      -9.6065      1.00000
     59      -9.5493      1.00000
     60      -9.4528      1.00000
     61      -9.4174      1.00000
     62      -9.4075      1.00000
     63      -9.3775      1.00000
     64      -9.3701      1.00000
     65      -9.2660      1.00000
     66      -9.1642      1.00000
     67      -9.1400      1.00000
     68      -9.1147      1.00000
     69      -8.8648      1.00000
     70      -8.8587      1.00000
     71      -8.8010      1.00000
     72      -8.5950      1.00000
     73      -8.5253      1.00000
     74      -8.1919      1.00000
     75      -8.1691      1.00000
     76      -8.0744      1.00000
     77      -7.8556      1.00000
     78      -7.8354      1.00000
     79      -7.8219      1.00000
     80      -7.7090      1.00000
     81      -7.6943      1.00000
     82      -7.5957      1.00000
     83      -7.5286      1.00000
     84      -7.3487      1.00000
     85      -7.1660      1.00000
     86      -6.9042      1.00000
     87      -6.8939      1.00000
     88      -6.5910      1.00000
     89      -6.5498      1.00000
     90      -6.4038      1.00000
     91      -6.3007      1.00000
     92      -6.2460      1.00000
     93      -6.2002      1.00000
     94      -6.0026      1.00000
     95      -5.5305      1.00000
     96      -5.4640      1.00000
     97      -5.3127      1.00000
     98      -5.2081      1.00000
     99      -5.0456      1.00000
    100      -4.7223      1.00000
    101      -4.6705      1.00000
    102      -4.4229      1.00000
    103      -4.1939      1.00000
    104      -3.8420      1.00000
    105      -3.6336      1.00000
    106      -3.4151      1.00000
    107      -2.2919      0.00000
    108      -1.5091      0.00000
    109      -1.2689      0.00000
    110      -1.2612      0.00000
    111      -1.0333      0.00000
    112      -0.9755      0.00000
    113      -0.8669      0.00000
    114      -0.7984      0.00000
    115      -0.2604      0.00000
    116       0.2050      0.00000
    117       0.2406      0.00000
    118       0.3622      0.00000
    119       0.7022      0.00000
    120       0.8964      0.00000
    121       0.9260      0.00000
    122       1.0496      0.00000
    123       1.1781      0.00000
    124       1.5190      0.00000
    125       1.5786      0.00000
    126       1.7180      0.00000
    127       1.7806      0.00000
    128       1.8276      0.00000
    129       1.9497      0.00000
    130       2.0071      0.00000
    131       2.1722      0.00000
    132       2.2820      0.00000
    133       2.4095      0.00000
    134       2.4349      0.00000
    135       2.4896      0.00000
    136       2.6033      0.00000
    137       2.6198      0.00000
    138       2.7139      0.00000
    139       2.7517      0.00000
    140       2.8780      0.00000
    141       3.0505      0.00000
    142       3.0830      0.00000
    143       3.1671      0.00000
    144       3.2143      0.00000
    145       3.2329      0.00000
    146       3.2972      0.00000
    147       3.3430      0.00000
    148       3.4602      0.00000
    149       3.5381      0.00000
    150       3.7025      0.00000
    151       3.7216      0.00000
    152       3.7557      0.00000
    153       3.8362      0.00000
    154       3.8804      0.00000
    155       3.9381      0.00000
    156       3.9755      0.00000
    157       3.9897      0.00000
    158       4.0196      0.00000
    159       4.0292      0.00000
    160       4.0835      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3882      1.00000
      2     -21.8294      1.00000
      3     -21.6400      1.00000
      4     -21.6050      1.00000
      5     -21.2774      1.00000
      6     -21.2304      1.00000
      7     -21.0549      1.00000
      8     -20.1700      1.00000
      9     -20.1238      1.00000
     10     -19.6159      1.00000
     11     -19.5891      1.00000
     12     -19.4140      1.00000
     13     -19.0933      1.00000
     14     -19.0547      1.00000
     15     -19.0502      1.00000
     16     -19.0369      1.00000
     17     -18.3656      1.00000
     18     -18.3454      1.00000
     19     -18.0150      1.00000
     20     -17.0708      1.00000
     21     -17.0220      1.00000
     22     -16.9482      1.00000
     23     -16.9342      1.00000
     24     -16.4732      1.00000
     25     -16.4618      1.00000
     26     -15.6083      1.00000
     27     -15.6078      1.00000
     28     -15.2488      1.00000
     29     -15.2361      1.00000
     30     -15.1893      1.00000
     31     -15.0995      1.00000
     32     -15.0660      1.00000
     33     -14.6973      1.00000
     34     -14.6959      1.00000
     35     -13.7239      1.00000
     36     -13.7234      1.00000
     37     -13.2330      1.00000
     38     -12.6226      1.00000
     39     -12.5778      1.00000
     40     -12.4528      1.00000
     41     -12.4471      1.00000
     42     -12.1043      1.00000
     43     -12.0987      1.00000
     44     -11.7207      1.00000
     45     -11.6822      1.00000
     46     -11.2441      1.00000
     47     -11.2229      1.00000
     48     -11.0156      1.00000
     49     -11.0037      1.00000
     50     -10.9266      1.00000
     51     -10.8980      1.00000
     52     -10.6358      1.00000
     53     -10.1701      1.00000
     54     -10.1473      1.00000
     55     -10.0821      1.00000
     56      -9.9907      1.00000
     57      -9.6945      1.00000
     58      -9.6883      1.00000
     59      -9.6689      1.00000
     60      -9.5900      1.00000
     61      -9.5665      1.00000
     62      -9.5522      1.00000
     63      -9.3107      1.00000
     64      -9.2978      1.00000
     65      -9.2815      1.00000
     66      -9.2424      1.00000
     67      -9.1206      1.00000
     68      -9.1102      1.00000
     69      -9.1088      1.00000
     70      -8.9380      1.00000
     71      -8.8748      1.00000
     72      -8.6038      1.00000
     73      -8.5858      1.00000
     74      -8.2697      1.00000
     75      -8.0986      1.00000
     76      -7.8672      1.00000
     77      -7.8421      1.00000
     78      -7.7891      1.00000
     79      -7.7629      1.00000
     80      -7.7533      1.00000
     81      -7.4460      1.00000
     82      -7.3327      1.00000
     83      -7.3203      1.00000
     84      -7.2644      1.00000
     85      -7.1610      1.00000
     86      -7.0148      1.00000
     87      -6.9846      1.00000
     88      -6.7160      1.00000
     89      -6.6891      1.00000
     90      -6.6302      1.00000
     91      -6.5888      1.00000
     92      -6.1146      1.00000
     93      -6.0581      1.00000
     94      -6.0431      1.00000
     95      -6.0280      1.00000
     96      -5.7466      1.00000
     97      -4.9735      1.00000
     98      -4.8383      1.00000
     99      -4.7076      1.00000
    100      -4.6724      1.00000
    101      -4.4826      1.00000
    102      -4.3516      1.00000
    103      -4.1103      1.00000
    104      -4.0544      1.00000
    105      -3.7539      1.00000
    106      -3.4647      1.00000
    107      -1.9510      0.00000
    108      -1.7700      0.00000
    109      -1.4788      0.00000
    110      -1.3545      0.00000
    111      -1.3344      0.00000
    112      -1.2905      0.00000
    113      -0.6766      0.00000
    114      -0.4708      0.00000
    115      -0.2351      0.00000
    116       0.0534      0.00000
    117       0.6003      0.00000
    118       0.6926      0.00000
    119       0.7715      0.00000
    120       1.0260      0.00000
    121       1.0984      0.00000
    122       1.1814      0.00000
    123       1.2552      0.00000
    124       1.3441      0.00000
    125       1.4481      0.00000
    126       1.6167      0.00000
    127       1.7422      0.00000
    128       1.8479      0.00000
    129       1.8567      0.00000
    130       1.8947      0.00000
    131       2.0411      0.00000
    132       2.2280      0.00000
    133       2.2532      0.00000
    134       2.3052      0.00000
    135       2.4839      0.00000
    136       2.5906      0.00000
    137       2.6410      0.00000
    138       2.7733      0.00000
    139       2.7769      0.00000
    140       2.8207      0.00000
    141       2.8395      0.00000
    142       2.8504      0.00000
    143       2.9202      0.00000
    144       3.1109      0.00000
    145       3.3124      0.00000
    146       3.3307      0.00000
    147       3.3739      0.00000
    148       3.4029      0.00000
    149       3.4197      0.00000
    150       3.5769      0.00000
    151       3.6179      0.00000
    152       3.6695      0.00000
    153       3.7355      0.00000
    154       3.8994      0.00000
    155       3.9330      0.00000
    156       3.9491      0.00000
    157       4.1067      0.00000
    158       4.2091      0.00000
    159       4.2471      0.00000
    160       4.2832      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2083      1.00000
      2     -22.1175      1.00000
      3     -21.9552      1.00000
      4     -21.4032      1.00000
      5     -21.0446      1.00000
      6     -21.0163      1.00000
      7     -20.4945      1.00000
      8     -20.4647      1.00000
      9     -20.2846      1.00000
     10     -20.2827      1.00000
     11     -19.9553      1.00000
     12     -19.8921      1.00000
     13     -18.8820      1.00000
     14     -18.8144      1.00000
     15     -18.3362      1.00000
     16     -18.3168      1.00000
     17     -18.1476      1.00000
     18     -18.1400      1.00000
     19     -17.8143      1.00000
     20     -17.7959      1.00000
     21     -17.2566      1.00000
     22     -17.2371      1.00000
     23     -17.1587      1.00000
     24     -17.1341      1.00000
     25     -16.1141      1.00000
     26     -15.8794      1.00000
     27     -15.8682      1.00000
     28     -15.8389      1.00000
     29     -15.2296      1.00000
     30     -14.5497      1.00000
     31     -14.5314      1.00000
     32     -14.2744      1.00000
     33     -13.9729      1.00000
     34     -13.9491      1.00000
     35     -13.8226      1.00000
     36     -13.8007      1.00000
     37     -13.6028      1.00000
     38     -13.5773      1.00000
     39     -13.3683      1.00000
     40     -12.6365      1.00000
     41     -12.1678      1.00000
     42     -12.1412      1.00000
     43     -12.0670      1.00000
     44     -12.0200      1.00000
     45     -11.6625      1.00000
     46     -11.6579      1.00000
     47     -11.1355      1.00000
     48     -11.1246      1.00000
     49     -10.7897      1.00000
     50     -10.7334      1.00000
     51     -10.5346      1.00000
     52     -10.2061      1.00000
     53     -10.2002      1.00000
     54     -10.1688      1.00000
     55     -10.0208      1.00000
     56      -9.9925      1.00000
     57      -9.9880      1.00000
     58      -9.8031      1.00000
     59      -9.7938      1.00000
     60      -9.7626      1.00000
     61      -9.7553      1.00000
     62      -9.4538      1.00000
     63      -9.4160      1.00000
     64      -9.0827      1.00000
     65      -9.0438      1.00000
     66      -9.0239      1.00000
     67      -8.9693      1.00000
     68      -8.8964      1.00000
     69      -8.7059      1.00000
     70      -8.6970      1.00000
     71      -8.5595      1.00000
     72      -8.5488      1.00000
     73      -8.4764      1.00000
     74      -8.4581      1.00000
     75      -8.4552      1.00000
     76      -8.3072      1.00000
     77      -8.0936      1.00000
     78      -8.0878      1.00000
     79      -7.9240      1.00000
     80      -7.8300      1.00000
     81      -7.5994      1.00000
     82      -7.5368      1.00000
     83      -7.4415      1.00000
     84      -7.3128      1.00000
     85      -6.9910      1.00000
     86      -6.9166      1.00000
     87      -6.8792      1.00000
     88      -6.5276      1.00000
     89      -6.5137      1.00000
     90      -6.4801      1.00000
     91      -6.4190      1.00000
     92      -5.9255      1.00000
     93      -5.9041      1.00000
     94      -5.7875      1.00000
     95      -5.7732      1.00000
     96      -5.3683      1.00000
     97      -5.3614      1.00000
     98      -5.2192      1.00000
     99      -5.2140      1.00000
    100      -5.1970      1.00000
    101      -4.7192      1.00000
    102      -4.4414      1.00000
    103      -4.1900      1.00000
    104      -3.8196      1.00000
    105      -3.5650      1.00000
    106      -3.2197      1.00000
    107      -2.5620      0.00000
    108      -1.4631      0.00000
    109      -1.2648      0.00000
    110      -1.1845      0.00000
    111      -1.1830      0.00000
    112      -0.6438      0.00000
    113      -0.5500      0.00000
    114      -0.4140      0.00000
    115      -0.3464      0.00000
    116      -0.0759      0.00000
    117      -0.0615      0.00000
    118       0.1281      0.00000
    119       0.5937      0.00000
    120       0.6284      0.00000
    121       0.8670      0.00000
    122       0.9985      0.00000
    123       1.0134      0.00000
    124       1.5032      0.00000
    125       1.6947      0.00000
    126       1.7934      0.00000
    127       1.8783      0.00000
    128       2.0925      0.00000
    129       2.1267      0.00000
    130       2.1752      0.00000
    131       2.2112      0.00000
    132       2.2496      0.00000
    133       2.3287      0.00000
    134       2.4866      0.00000
    135       2.5061      0.00000
    136       2.6785      0.00000
    137       2.8541      0.00000
    138       2.8628      0.00000
    139       2.9641      0.00000
    140       2.9883      0.00000
    141       3.0378      0.00000
    142       3.1480      0.00000
    143       3.1491      0.00000
    144       3.2427      0.00000
    145       3.2542      0.00000
    146       3.2834      0.00000
    147       3.3127      0.00000
    148       3.3653      0.00000
    149       3.4298      0.00000
    150       3.5604      0.00000
    151       3.5741      0.00000
    152       3.6514      0.00000
    153       3.6525      0.00000
    154       3.6706      0.00000
    155       3.7044      0.00000
    156       3.9090      0.00000
    157       3.9533      0.00000
    158       4.0481      0.00000
    159       4.0995      0.00000
    160       4.2028      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2818      1.00000
      2     -22.0771      1.00000
      3     -21.7189      1.00000
      4     -21.6796      1.00000
      5     -20.9814      1.00000
      6     -20.9336      1.00000
      7     -20.6098      1.00000
      8     -20.5777      1.00000
      9     -20.5641      1.00000
     10     -20.0306      1.00000
     11     -19.5123      1.00000
     12     -19.4817      1.00000
     13     -19.3103      1.00000
     14     -19.2967      1.00000
     15     -18.4480      1.00000
     16     -18.4049      1.00000
     17     -17.9263      1.00000
     18     -17.9055      1.00000
     19     -17.7643      1.00000
     20     -17.7193      1.00000
     21     -17.4403      1.00000
     22     -17.4214      1.00000
     23     -17.3366      1.00000
     24     -16.4694      1.00000
     25     -16.4596      1.00000
     26     -15.9681      1.00000
     27     -15.4099      1.00000
     28     -15.4087      1.00000
     29     -15.0946      1.00000
     30     -15.0918      1.00000
     31     -14.8521      1.00000
     32     -14.8391      1.00000
     33     -14.2959      1.00000
     34     -14.2517      1.00000
     35     -13.4424      1.00000
     36     -13.3980      1.00000
     37     -13.1741      1.00000
     38     -13.1722      1.00000
     39     -12.9836      1.00000
     40     -12.9744      1.00000
     41     -12.6098      1.00000
     42     -12.6071      1.00000
     43     -12.1944      1.00000
     44     -11.5787      1.00000
     45     -11.5375      1.00000
     46     -11.3124      1.00000
     47     -11.2822      1.00000
     48     -11.1396      1.00000
     49     -10.6915      1.00000
     50     -10.6615      1.00000
     51     -10.5458      1.00000
     52     -10.3202      1.00000
     53     -10.3123      1.00000
     54     -10.1741      1.00000
     55     -10.1199      1.00000
     56     -10.1070      1.00000
     57      -9.8097      1.00000
     58      -9.7502      1.00000
     59      -9.7501      1.00000
     60      -9.6997      1.00000
     61      -9.6963      1.00000
     62      -9.6452      1.00000
     63      -9.3503      1.00000
     64      -9.3491      1.00000
     65      -9.3174      1.00000
     66      -9.0265      1.00000
     67      -8.9595      1.00000
     68      -8.9560      1.00000
     69      -8.7738      1.00000
     70      -8.5913      1.00000
     71      -8.5869      1.00000
     72      -8.4223      1.00000
     73      -8.3480      1.00000
     74      -8.3213      1.00000
     75      -8.3008      1.00000
     76      -8.2643      1.00000
     77      -8.2537      1.00000
     78      -8.2385      1.00000
     79      -7.9199      1.00000
     80      -7.7323      1.00000
     81      -7.3772      1.00000
     82      -7.3468      1.00000
     83      -7.3220      1.00000
     84      -7.2145      1.00000
     85      -7.1585      1.00000
     86      -7.0636      1.00000
     87      -6.9590      1.00000
     88      -6.9036      1.00000
     89      -6.6135      1.00000
     90      -6.5535      1.00000
     91      -6.2712      1.00000
     92      -5.9950      1.00000
     93      -5.9582      1.00000
     94      -5.6738      1.00000
     95      -5.6471      1.00000
     96      -5.3860      1.00000
     97      -5.3140      1.00000
     98      -5.2926      1.00000
     99      -5.2104      1.00000
    100      -5.1988      1.00000
    101      -4.5107      1.00000
    102      -4.3382      1.00000
    103      -3.9950      1.00000
    104      -3.8848      1.00000
    105      -3.7919      1.00000
    106      -3.4424      1.00000
    107      -2.0349      0.00000
    108      -1.8621      0.00000
    109      -1.2170      0.00000
    110      -1.1816      0.00000
    111      -1.0352      0.00000
    112      -0.7715      0.00000
    113      -0.6759      0.00000
    114      -0.6592      0.00000
    115      -0.6080      0.00000
    116      -0.1000      0.00000
    117       0.2242      0.00000
    118       0.2420      0.00000
    119       0.7827      0.00000
    120       0.9950      0.00000
    121       1.0766      0.00000
    122       1.2451      0.00000
    123       1.2542      0.00000
    124       1.3514      0.00000
    125       1.5843      0.00000
    126       1.5858      0.00000
    127       1.7226      0.00000
    128       1.7953      0.00000
    129       1.9627      0.00000
    130       1.9853      0.00000
    131       2.0436      0.00000
    132       2.2537      0.00000
    133       2.3428      0.00000
    134       2.4326      0.00000
    135       2.5578      0.00000
    136       2.6354      0.00000
    137       2.7167      0.00000
    138       2.7853      0.00000
    139       2.8567      0.00000
    140       2.8618      0.00000
    141       3.0367      0.00000
    142       3.1134      0.00000
    143       3.1723      0.00000
    144       3.2252      0.00000
    145       3.3791      0.00000
    146       3.4201      0.00000
    147       3.5088      0.00000
    148       3.5489      0.00000
    149       3.5940      0.00000
    150       3.6054      0.00000
    151       3.6545      0.00000
    152       3.7431      0.00000
    153       3.7509      0.00000
    154       3.7600      0.00000
    155       3.7677      0.00000
    156       3.8783      0.00000
    157       4.0229      0.00000
    158       4.0992      0.00000
    159       4.1789      0.00000
    160       4.2244      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0423   -7.3900    4.1986   -1.2757   -0.2386   17.5930    0.1478   -0.5326    0.6340   -0.4649
x    -3.0922   -0.0374   -0.0631    0.0617   -0.0091   -2.9773   -0.0110   -0.0070    0.0049    0.0016
x    -0.0964    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0423    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0942   -0.0088    0.0374    0.0376
y    -0.0457   -3.2475   -0.5378   -0.1639   -1.1793   -0.6053
z   204.0423    1.1245   -0.2802    0.0407    0.0091    0.0617    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0777    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1570
z    -0.2836    0.1869   -0.0387    0.0472   -0.1052    0.0013
 total charge-density along one line
x   212.0000  -10.2202    6.1466   -2.0857   -0.4744   19.5097   -0.9954    0.4741   -0.0447   -0.1262
x    -2.6452   -0.0277   -0.0610    0.0846   -0.0532   -2.2246   -0.0249   -0.0026    0.0052    0.0021
x    -0.0895    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2202    6.1466   -2.0857   -0.4744   19.5097   -0.9954    0.4741   -0.0447   -0.1262
y    -2.6452   -0.0277   -0.0610    0.0846   -0.0532   -2.2246   -0.0249   -0.0026    0.0052    0.0021
y    -0.0895    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4944  189.2973 -170.3707  153.6462 -139.4240  125.4145 -110.0999   93.9556  -78.3454
z    64.1396  -51.4897   40.4255  -31.2194   24.1216  -18.9381   15.0256  -11.7149    8.7129   -6.1198
z     4.1301   -2.7583    1.8211   -1.1107    0.5396   -0.1268   -0.1114    0.2279   -0.3092    0.3998
z    -0.4765    0.4933   -0.4402    0.3551   -0.2862    0.2512   -0.2333    0.2086   -0.1709    0.1317
z    -0.1037    0.0880   -0.0768    0.0637   -0.0491    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0001   -0.0001    0.0000    0.0000   -0.0001    0.0001   -0.0001    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0000    0.0000   -0.0001    0.0001   -0.0001    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.030   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.158   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.415   0.000   0.077   0.585  -0.239   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.379   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.368  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.239   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.264   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.262   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.783   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.645
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.645
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.647
 40        0.863   1.785   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.783   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.867  89.427   8.029 142.323
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time   89.66: CPU time   45.20
    FORLOC:  VPU time    1.09: CPU time    1.09
    FORNL :  VPU time  361.93: CPU time  181.73
    STRESS:  VPU time 1088.05: CPU time  546.60
    FORCOR:  VPU time    7.42: CPU time    7.42
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.14: CPU time    0.14
 d Force = 0.1374876E-05[ 0.108E-05, 0.167E-05]  d Energy = 0.1541701E-05-0.167E-06
 d Force =-0.6186248E-01[-0.619E-01,-0.619E-01]  d Ewald  = 0.1799728E+01-0.186E+01


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726374 eV

  energy  without entropy=     -471.726374  energy(sigma->0) =     -471.726374
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40841.15  40796.23 -47539.90    -38.90      0.00      0.00
  Hartree  40265.65  40246.62 -39524.40    -16.48      0.00      0.00
  E(xc)     -779.44   -779.73   -807.38     -0.25      0.00      0.00
  Local   -83390.90 -83335.85  84379.05     47.67      0.00      0.00
  n-local   -216.81   -215.68   -203.37      0.71      0.00      0.00
  augment     20.06     22.05     17.81      1.72      0.00      0.00
  Kinetic   3162.47   3176.01   3583.93      3.38      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.15     -0.14     -0.32      0.01      0.00      0.00
  in kB       -0.09     -0.09     -0.19      0.01      0.00      0.00
  external pressure =       -0.12 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345613913  0.000989625  0.000000000     0.080996679  0.046754866  0.000000000
    -6.171956559 10.692106165  0.000000000    -0.000007497  0.093522615  0.000000000
     0.000000000  0.000000000 19.984298997     0.000000000  0.000000000  0.050039283

  length of vectors
    12.345613953 12.345613877 19.984298997     0.093522615  0.093522615  0.050039283


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.475E-05 -.490E-04 -.952E+03   0.450E-05 -.278E-04 0.960E+03   -.508E-20 0.173E-23 -.868E+01   -.223E-07 0.148E-07 -.752E-02
   0.322E+02 -.186E+02 -.135E+03   -.337E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   -.230E-04 0.125E-04 -.714E-03
   -.322E+02 0.186E+02 -.135E+03   0.337E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   0.230E-04 -.125E-04 -.714E-03
   -.210E+01 0.121E+01 0.163E+02   0.210E+01 -.121E+01 -.163E+02   -.254E-02 0.147E-02 -.240E-01   -.592E-03 0.339E-03 0.341E-03
   0.619E+01 0.679E+01 0.194E+02   -.619E+01 -.681E+01 -.193E+02   0.487E-03 0.242E-01 -.273E-01   0.130E-03 -.552E-03 0.358E-03
   0.112E+02 0.512E+01 0.161E+02   -.112E+02 -.513E+01 -.161E+02   0.224E-01 0.541E-02 -.482E-01   -.767E-04 0.415E-03 0.256E-03
   0.472E+01 -.884E+00 0.126E+02   -.473E+01 0.891E+00 -.125E+02   0.164E-01 -.905E-02 -.183E-01   -.205E-03 0.897E-04 0.760E-04
   -.310E+01 -.251E+01 0.126E+02   0.310E+01 0.251E+01 -.126E+02   0.270E-02 0.523E-03 -.130E-01   -.355E-03 0.264E-03 0.224E-03
   0.629E+00 0.394E+01 0.126E+02   -.623E+00 -.394E+01 -.126E+02   0.899E-03 -.260E-02 -.130E-01   -.412E-03 0.169E-03 0.221E-03
   0.244E+01 0.189E+02 0.240E+02   -.244E+01 -.190E+02 -.240E+02   -.115E-02 0.101E+00 -.485E-01   0.174E-03 0.844E-03 0.369E-03
   0.226E+02 0.214E+02 0.422E+02   -.227E+02 -.217E+02 -.422E+02   0.843E-01 0.260E+00 -.609E-01   -.109E-02 0.422E-03 0.433E-03
   0.268E+02 -.345E+01 0.257E+02   -.271E+02 0.356E+01 -.256E+02   0.267E+00 -.110E+00 -.334E-01   0.943E-04 -.109E-03 0.313E-03
   0.916E+01 -.529E+01 0.136E+02   -.920E+01 0.531E+01 -.136E+02   0.426E-01 -.246E-01 -.118E-01   -.360E-04 0.143E-04 0.264E-03
   0.312E+01 -.364E+01 0.126E+02   -.314E+01 0.365E+01 -.125E+02   0.160E-01 -.964E-02 -.183E-01   -.183E-03 0.129E-03 0.684E-04
   -.594E+01 0.136E+02 0.161E+02   0.595E+01 -.137E+02 -.161E+02   0.186E-03 0.724E-01 -.517E-01   -.507E-03 -.506E-04 0.211E-03
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.279E-01 0.613E+00 0.294E+00   -.205E-03 -.290E-03 0.242E-03
   0.237E+02 -.137E+02 0.941E+02   -.243E+02 0.140E+02 -.962E+02   0.640E+00 -.370E+00 0.205E+01   -.320E-03 0.182E-03 0.116E-03
   0.164E+02 -.215E+02 0.257E+02   -.166E+02 0.217E+02 -.256E+02   0.228E+00 -.176E+00 -.334E-01   0.139E-03 -.349E-04 0.308E-03
   0.116E+01 -.123E+02 0.161E+02   -.116E+01 0.123E+02 -.161E+02   0.653E-02 -.221E-01 -.482E-01   -.395E-03 -.142E-03 0.251E-03
   -.417E+01 0.193E+01 0.116E+02   0.417E+01 -.194E+01 -.116E+02   0.183E-02 0.822E-02 -.439E-01   -.360E-03 0.174E-03 0.171E-03
   -.193E+02 0.111E+02 0.218E+02   0.193E+02 -.112E+02 -.217E+02   -.527E-01 0.304E-01 -.427E-01   -.844E-04 0.525E-04 0.380E-03
   -.373E+02 -.786E+01 0.478E+02   0.378E+02 0.813E+01 -.481E+02   -.545E+00 -.282E+00 0.294E+00   0.152E-03 0.322E-03 0.245E-03
   -.724E+01 -.303E+02 0.422E+02   0.744E+01 0.304E+02 -.422E+02   -.183E+00 -.203E+00 -.609E-01   -.905E-03 0.725E-03 0.431E-03
   -.279E+01 -.875E+01 0.194E+02   0.280E+01 0.877E+01 -.193E+02   -.207E-01 -.125E-01 -.273E-01   0.545E-03 0.161E-03 0.358E-03
   0.136E+01 -.787E+00 0.135E+02   -.136E+01 0.786E+00 -.134E+02   0.486E-02 -.281E-02 -.178E-01   -.391E-03 0.228E-03 0.282E-03
   -.376E+01 0.264E+01 0.116E+02   0.377E+01 -.264E+01 -.116E+02   -.620E-02 -.569E-02 -.439E-01   -.329E-03 0.230E-03 0.176E-03
   -.148E+02 -.166E+01 0.161E+02   0.148E+02 0.169E+01 -.161E+02   -.626E-01 -.364E-01 -.517E-01   -.208E-03 0.463E-03 0.218E-03
   -.152E+02 -.116E+02 0.240E+02   0.153E+02 0.116E+02 -.240E+02   -.877E-01 -.493E-01 -.485E-01   -.643E-03 -.578E-03 0.372E-03
   0.279E+01 0.875E+01 0.194E+02   -.280E+01 -.877E+01 -.193E+02   0.207E-01 0.125E-01 -.273E-01   -.545E-03 -.161E-03 0.358E-03
   0.152E+02 0.116E+02 0.240E+02   -.153E+02 -.116E+02 -.240E+02   0.877E-01 0.493E-01 -.485E-01   0.643E-03 0.578E-03 0.372E-03
   0.148E+02 0.166E+01 0.161E+02   -.148E+02 -.169E+01 -.161E+02   0.626E-01 0.364E-01 -.517E-01   0.208E-03 -.463E-03 0.218E-03
   0.376E+01 -.264E+01 0.116E+02   -.377E+01 0.264E+01 -.116E+02   0.620E-02 0.569E-02 -.439E-01   0.329E-03 -.230E-03 0.176E-03
   -.136E+01 0.787E+00 0.135E+02   0.136E+01 -.786E+00 -.134E+02   -.486E-02 0.281E-02 -.178E-01   0.391E-03 -.228E-03 0.282E-03
   -.116E+01 0.123E+02 0.161E+02   0.116E+01 -.123E+02 -.161E+02   -.653E-02 0.221E-01 -.482E-01   0.395E-03 0.142E-03 0.251E-03
   0.724E+01 0.303E+02 0.422E+02   -.744E+01 -.304E+02 -.422E+02   0.183E+00 0.203E+00 -.609E-01   0.905E-03 -.725E-03 0.431E-03
   0.373E+02 0.786E+01 0.478E+02   -.378E+02 -.813E+01 -.481E+02   0.545E+00 0.282E+00 0.294E+00   -.152E-03 -.322E-03 0.245E-03
   0.193E+02 -.111E+02 0.218E+02   -.193E+02 0.112E+02 -.217E+02   0.527E-01 -.304E-01 -.427E-01   0.844E-04 -.525E-04 0.380E-03
   0.417E+01 -.193E+01 0.116E+02   -.417E+01 0.194E+01 -.116E+02   -.183E-02 -.822E-02 -.439E-01   0.360E-03 -.174E-03 0.171E-03
   -.312E+01 0.364E+01 0.126E+02   0.314E+01 -.365E+01 -.125E+02   -.160E-01 0.964E-02 -.183E-01   0.183E-03 -.129E-03 0.684E-04
   -.164E+02 0.215E+02 0.257E+02   0.166E+02 -.217E+02 -.256E+02   -.228E+00 0.176E+00 -.334E-01   -.139E-03 0.349E-04 0.308E-03
   -.237E+02 0.137E+02 0.941E+02   0.243E+02 -.140E+02 -.962E+02   -.640E+00 0.370E+00 0.205E+01   0.320E-03 -.182E-03 0.116E-03
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.279E-01 -.613E+00 0.294E+00   0.205E-03 0.290E-03 0.242E-03
   0.594E+01 -.136E+02 0.161E+02   -.595E+01 0.137E+02 -.161E+02   -.186E-03 -.724E-01 -.517E-01   0.507E-03 0.506E-04 0.211E-03
   -.629E+00 -.394E+01 0.126E+02   0.623E+00 0.394E+01 -.126E+02   -.899E-03 0.260E-02 -.130E-01   0.412E-03 -.169E-03 0.221E-03
   -.916E+01 0.529E+01 0.136E+02   0.920E+01 -.531E+01 -.136E+02   -.426E-01 0.246E-01 -.118E-01   0.360E-04 -.143E-04 0.264E-03
   -.268E+02 0.345E+01 0.257E+02   0.271E+02 -.356E+01 -.256E+02   -.267E+00 0.110E+00 -.334E-01   -.943E-04 0.109E-03 0.313E-03
   -.226E+02 -.214E+02 0.422E+02   0.227E+02 0.217E+02 -.422E+02   -.843E-01 -.260E+00 -.609E-01   0.109E-02 -.422E-03 0.433E-03
   -.244E+01 -.189E+02 0.240E+02   0.244E+01 0.190E+02 -.240E+02   0.115E-02 -.101E+00 -.485E-01   -.174E-03 -.844E-03 0.369E-03
   0.210E+01 -.121E+01 0.163E+02   -.210E+01 0.121E+01 -.163E+02   0.254E-02 -.147E-02 -.240E-01   0.592E-03 -.339E-03 0.341E-03
   0.310E+01 0.251E+01 0.126E+02   -.310E+01 -.251E+01 -.126E+02   -.270E-02 -.523E-03 -.130E-01   0.355E-03 -.264E-03 0.224E-03
   -.472E+01 0.883E+00 0.126E+02   0.473E+01 -.891E+00 -.125E+02   -.164E-01 0.905E-02 -.183E-01   0.205E-03 -.897E-04 0.760E-04
   -.112E+02 -.512E+01 0.161E+02   0.112E+02 0.513E+01 -.161E+02   -.224E-01 -.541E-02 -.482E-01   0.767E-04 -.415E-03 0.256E-03
   -.619E+01 -.679E+01 0.194E+02   0.619E+01 0.681E+01 -.193E+02   -.487E-03 -.242E-01 -.273E-01   -.130E-03 0.552E-03 0.358E-03
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.293E-03 0.100E+02   -.198E-12 0.236E-12 0.178E-12   -.183E-15 0.729E-16 -.100E+02   -.205E-07 0.156E-07 0.442E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85232      6.05929     12.26256         0.000000      0.000000      0.027436
      1.07512      6.50801     13.52221         0.003179     -0.001835      0.007284
      2.62952      5.61057     13.52221        -0.003179      0.001835      0.007284
      0.00009     -0.00005      9.90976         0.003064     -0.001769      0.000524
     -1.23471      2.13685      9.90844        -0.002387      0.007587      0.000185
     -2.47003      4.27664      9.92845         0.004020     -0.004456     -0.000451
     -3.70366      6.41538      9.93621         0.001799     -0.001851     -0.001541
     -4.93741      8.55374      9.92670         0.005479     -0.004454     -0.000203
      2.46915      0.00004      9.92670         0.006597     -0.002518     -0.000203
      1.23401      2.13690      9.91801        -0.000738     -0.008297     -0.001064
     -0.00279      4.27105      9.93059         0.015439     -0.004795     -0.002674
     -1.23816      6.41601      9.95260        -0.004223      0.000284     -0.000759
     -2.46876      8.55407      9.93797        -0.001235      0.000713      0.000992
      4.93790      0.00076      9.93621         0.002503     -0.000632     -0.001541
      3.70423      2.13687      9.93945         0.003747      0.003532     -0.000862
      2.46997      4.26873      9.96720         0.003399      0.001470     -0.003701
      1.22921      6.41904      9.97337         0.003174     -0.001832     -0.000813
     -0.00185      8.55737      9.95260        -0.002358      0.003515     -0.000759
      7.40692      0.00177      9.92845         0.005869     -0.001253     -0.000451
      6.17263      2.13913      9.93476         0.004570     -0.002963     -0.000440
      4.93922      4.27707      9.94743        -0.003683      0.002126      0.000786
      3.71181      6.41968      9.96720         0.000427     -0.003679     -0.003701
      2.47343      8.55999      9.93059         0.011872     -0.010973     -0.002674
      9.87770      0.00186      9.90844        -0.007764     -0.001726      0.000185
      8.64187      2.13935      9.91961         0.007393     -0.004268      0.000530
      7.40744      4.27788      9.93476         0.004852     -0.002476     -0.000440
      6.17519      6.41671      9.93945        -0.001185     -0.005011     -0.000862
      4.94005      8.55596      9.91801         0.006817      0.004788     -0.001064
     -0.00109      1.42462      9.90844         0.007764      0.001726      0.000185
     -1.23541      3.56262      9.91801        -0.006817     -0.004788     -0.001064
     -2.47054      5.70187      9.93945         0.001185      0.005011     -0.000862
     -3.70279      7.84070      9.93476        -0.004852      0.002476     -0.000440
     -4.93722      9.97923      9.91961        -0.007393      0.004268      0.000530
      2.46968      1.42470      9.92845        -0.005869      0.001253     -0.000451
      1.23122      3.55859      9.93059        -0.011872      0.010973     -0.002674
     -0.00716      5.69890      9.96720        -0.000427      0.003679     -0.003701
     -1.23458      7.84151      9.94743         0.003683     -0.002126      0.000786
     -2.46798      9.97945      9.93476        -0.004570      0.002963     -0.000440
      4.93871      1.42572      9.93621        -0.002503      0.000632     -0.001541
      3.70650      3.56121      9.95260         0.002358     -0.003515     -0.000759
      2.47543      5.69954      9.97337        -0.003174      0.001832     -0.000813
      1.23468      7.84985      9.96720        -0.003399     -0.001470     -0.003701
      0.00042      9.98171      9.93945        -0.003747     -0.003532     -0.000862
      7.40745      1.42643      9.92670        -0.006597      0.002518     -0.000203
      6.17341      3.56451      9.93797         0.001235     -0.000713      0.000992
      4.94281      5.70257      9.95260         0.004223     -0.000284     -0.000759
      3.70744      7.84753      9.93059        -0.015439      0.004795     -0.002674
      2.47064      9.98168      9.91801         0.000738      0.008297     -0.001064
      9.87651      1.42652      9.90976        -0.003064      0.001769      0.000524
      8.64206      3.56484      9.92670        -0.005479      0.004454     -0.000203
      7.40831      5.70320      9.93621        -0.001799      0.001851     -0.001541
      6.17467      7.84194      9.92845        -0.004020      0.004456     -0.000451
      4.93936      9.98173      9.90844         0.002387     -0.007587      0.000185
 -----------------------------------------------------------------------------------
    total drift:                               -0.001807      0.000293      0.005826


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.68: CPU time    1.68
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.18: CPU time    1.18
    ORTHCH:  VPU time  149.65: CPU time   74.89
     LOOP+:  VPU time 4155.51: CPU time 2122.17


----------------------------------------- Iteration   19(   1)  ---------------------------------------


    POTLOK:  VPU time    7.82: CPU time    7.75
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1154.18: CPU time  588.97
 BZINTS: Fermi energy: -3.205206;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   89.49: CPU time   45.12
    MIXING:  VPU time    0.13: CPU time    0.13
    ------------------------------------------
      LOOP:  VPU time 1251.94: CPU time  642.28

 eigenvalue-minimisations  :  4272
 total energy-change (2. order) :-0.4717264E+03  (-0.3987754E-05)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9576462 magnetization    0.0000001

 Broyden mixing:
  rms(total) = 0.37976E-03    rms(broyden)= 0.37973E-03
  rms(prec ) = 0.45681E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34096.60606535
  -1/2 Hartree   DENC   =    -40987.47475016
  -V(xc)+E(xc)   XCENC  =       726.58545837
  PAW double counting   =      4093.71729206    -4132.06363972
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.53665879
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72637929 eV

  energy without entropy =     -471.72637929  energy(sigma->0) =     -471.72637929


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   19(   2)  ---------------------------------------


    POTLOK:  VPU time    7.75: CPU time    7.74
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1170.90: CPU time  597.39
 BZINTS: Fermi energy: -3.205507;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1179.00: CPU time  605.44

 eigenvalue-minimisations  :  4360
 total energy-change (2. order) : 0.6067679E-05  (-0.2061967E-05)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9576462 magnetization    0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34096.60606535
  -1/2 Hartree   DENC   =    -40987.40312935
  -V(xc)+E(xc)   XCENC  =       726.58380796
  PAW double counting   =      4093.69007463    -4132.03645079
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.60659463
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72637322 eV

  energy without entropy =     -471.72637322  energy(sigma->0) =     -471.72637322


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2180       2 -39.5343       3 -39.5343       4 -58.3131       5 -58.3170
       6 -58.3194       7 -58.3140       8 -58.3144       9 -58.3144      10 -58.3208
      11 -58.3871      12 -58.3509      13 -58.3223      14 -58.3140      15 -58.3238
      16 -58.5422      17 -58.7293      18 -58.3509      19 -58.3194      20 -58.3192
      21 -58.3571      22 -58.5422      23 -58.3871      24 -58.3170      25 -58.3223
      26 -58.3192      27 -58.3238      28 -58.3209      29 -58.3169      30 -58.3207
      31 -58.3237      32 -58.3191      33 -58.3222      34 -58.3193      35 -58.3870
      36 -58.5421      37 -58.3570      38 -58.3191      39 -58.3139      40 -58.3508
      41 -58.7292      42 -58.5421      43 -58.3237      44 -58.3143      45 -58.3222
      46 -58.3508      47 -58.3870      48 -58.3208      49 -58.3130      50 -58.3143
      51 -58.3139      52 -58.3193      53 -58.3169
 
 
 
 E-fermi :  -3.2055     XC(G=0):  -2.3432     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4252      1.00000
      2     -21.6021      1.00000
      3     -21.4803      1.00000
      4     -21.4713      1.00000
      5     -21.4396      1.00000
      6     -21.4389      1.00000
      7     -21.4286      1.00000
      8     -19.7065      1.00000
      9     -19.6514      1.00000
     10     -19.6281      1.00000
     11     -19.6173      1.00000
     12     -19.6122      1.00000
     13     -19.6105      1.00000
     14     -18.7891      1.00000
     15     -18.7532      1.00000
     16     -18.7335      1.00000
     17     -18.7241      1.00000
     18     -18.7166      1.00000
     19     -18.7121      1.00000
     20     -16.6336      1.00000
     21     -16.6078      1.00000
     22     -16.5837      1.00000
     23     -16.5804      1.00000
     24     -16.5531      1.00000
     25     -16.5516      1.00000
     26     -15.6130      1.00000
     27     -15.6018      1.00000
     28     -15.5980      1.00000
     29     -15.5633      1.00000
     30     -15.5617      1.00000
     31     -15.5595      1.00000
     32     -14.2583      1.00000
     33     -14.2490      1.00000
     34     -14.2400      1.00000
     35     -14.2351      1.00000
     36     -14.2207      1.00000
     37     -14.2181      1.00000
     38     -11.9049      1.00000
     39     -11.8782      1.00000
     40     -11.8676      1.00000
     41     -11.8638      1.00000
     42     -11.8433      1.00000
     43     -11.8432      1.00000
     44     -11.7695      1.00000
     45     -11.7676      1.00000
     46     -11.7337      1.00000
     47     -11.7274      1.00000
     48     -11.7244      1.00000
     49     -11.7208      1.00000
     50     -10.6751      1.00000
     51     -10.3868      1.00000
     52     -10.3829      1.00000
     53     -10.3756      1.00000
     54     -10.3668      1.00000
     55     -10.3549      1.00000
     56     -10.3522      1.00000
     57      -9.9031      1.00000
     58      -9.4493      1.00000
     59      -9.4042      1.00000
     60      -9.3611      1.00000
     61      -9.3605      1.00000
     62      -9.3526      1.00000
     63      -9.1407      1.00000
     64      -9.1223      1.00000
     65      -9.1196      1.00000
     66      -9.0844      1.00000
     67      -9.0701      1.00000
     68      -9.0691      1.00000
     69      -9.0682      1.00000
     70      -9.0636      1.00000
     71      -9.0633      1.00000
     72      -9.0372      1.00000
     73      -9.0269      1.00000
     74      -9.0251      1.00000
     75      -8.1287      1.00000
     76      -7.7454      1.00000
     77      -7.4689      1.00000
     78      -7.4648      1.00000
     79      -7.4525      1.00000
     80      -7.4333      1.00000
     81      -7.4231      1.00000
     82      -7.4046      1.00000
     83      -7.3114      1.00000
     84      -7.2700      1.00000
     85      -7.2562      1.00000
     86      -7.2473      1.00000
     87      -7.1488      1.00000
     88      -7.0476      1.00000
     89      -6.4450      1.00000
     90      -6.4145      1.00000
     91      -6.3990      1.00000
     92      -6.3622      1.00000
     93      -6.3519      1.00000
     94      -6.3392      1.00000
     95      -5.9591      1.00000
     96      -5.9555      1.00000
     97      -4.8058      1.00000
     98      -4.5438      1.00000
     99      -4.4804      1.00000
    100      -4.4738      1.00000
    101      -4.3813      1.00000
    102      -4.3807      1.00000
    103      -4.2665      1.00000
    104      -4.1867      1.00000
    105      -3.7385      1.00000
    106      -3.4772      1.00000
    107      -1.8628      0.00000
    108      -1.6693      0.00000
    109      -1.6227      0.00000
    110      -1.5904      0.00000
    111      -1.5749      0.00000
    112      -1.5740      0.00000
    113      -0.4282      0.00000
    114       0.1478      0.00000
    115       0.1918      0.00000
    116       0.2555      0.00000
    117       0.2687      0.00000
    118       0.2721      0.00000
    119       0.4788      0.00000
    120       0.5605      0.00000
    121       1.2620      0.00000
    122       1.2940      0.00000
    123       1.5523      0.00000
    124       1.7647      0.00000
    125       1.7830      0.00000
    126       1.7858      0.00000
    127       1.7869      0.00000
    128       1.8337      0.00000
    129       1.9580      0.00000
    130       1.9732      0.00000
    131       1.9756      0.00000
    132       1.9898      0.00000
    133       1.9968      0.00000
    134       2.0910      0.00000
    135       2.2702      0.00000
    136       2.3429      0.00000
    137       2.6378      0.00000
    138       2.6389      0.00000
    139       2.6701      0.00000
    140       2.7151      0.00000
    141       2.9484      0.00000
    142       3.0215      0.00000
    143       3.0235      0.00000
    144       3.0496      0.00000
    145       3.0513      0.00000
    146       3.0526      0.00000
    147       3.0902      0.00000
    148       3.2867      0.00000
    149       3.4472      0.00000
    150       3.5192      0.00000
    151       3.8190      0.00000
    152       3.9551      0.00000
    153       3.9557      0.00000
    154       3.9578      0.00000
    155       3.9605      0.00000
    156       4.0015      0.00000
    157       4.1906      0.00000
    158       4.2690      0.00000
    159       4.2762      0.00000
    160       4.2908      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3886      1.00000
      2     -21.8295      1.00000
      3     -21.6371      1.00000
      4     -21.6093      1.00000
      5     -21.2736      1.00000
      6     -21.2342      1.00000
      7     -21.0558      1.00000
      8     -20.1666      1.00000
      9     -20.1284      1.00000
     10     -19.6076      1.00000
     11     -19.5962      1.00000
     12     -19.4162      1.00000
     13     -19.0886      1.00000
     14     -19.0591      1.00000
     15     -19.0479      1.00000
     16     -19.0400      1.00000
     17     -18.3597      1.00000
     18     -18.3509      1.00000
     19     -18.0181      1.00000
     20     -17.0682      1.00000
     21     -17.0294      1.00000
     22     -16.9430      1.00000
     23     -16.9387      1.00000
     24     -16.4667      1.00000
     25     -16.4621      1.00000
     26     -15.6122      1.00000
     27     -15.6064      1.00000
     28     -15.2513      1.00000
     29     -15.2423      1.00000
     30     -15.1839      1.00000
     31     -15.0973      1.00000
     32     -15.0700      1.00000
     33     -14.6973      1.00000
     34     -14.6950      1.00000
     35     -13.7255      1.00000
     36     -13.7223      1.00000
     37     -13.2350      1.00000
     38     -12.6137      1.00000
     39     -12.5830      1.00000
     40     -12.4535      1.00000
     41     -12.4493      1.00000
     42     -12.1083      1.00000
     43     -12.1030      1.00000
     44     -11.7155      1.00000
     45     -11.6846      1.00000
     46     -11.2339      1.00000
     47     -11.2252      1.00000
     48     -11.0169      1.00000
     49     -11.0087      1.00000
     50     -10.9249      1.00000
     51     -10.9038      1.00000
     52     -10.6301      1.00000
     53     -10.1545      1.00000
     54     -10.1496      1.00000
     55     -10.0913      1.00000
     56      -9.9976      1.00000
     57      -9.7010      1.00000
     58      -9.6946      1.00000
     59      -9.6545      1.00000
     60      -9.5910      1.00000
     61      -9.5746      1.00000
     62      -9.5579      1.00000
     63      -9.3066      1.00000
     64      -9.3021      1.00000
     65      -9.2728      1.00000
     66      -9.2347      1.00000
     67      -9.1355      1.00000
     68      -9.1151      1.00000
     69      -9.1095      1.00000
     70      -8.9384      1.00000
     71      -8.8703      1.00000
     72      -8.6026      1.00000
     73      -8.5898      1.00000
     74      -8.2354      1.00000
     75      -8.1003      1.00000
     76      -7.9124      1.00000
     77      -7.8620      1.00000
     78      -7.7715      1.00000
     79      -7.7554      1.00000
     80      -7.6907      1.00000
     81      -7.5597      1.00000
     82      -7.3389      1.00000
     83      -7.3215      1.00000
     84      -7.2032      1.00000
     85      -7.1219      1.00000
     86      -7.0306      1.00000
     87      -7.0104      1.00000
     88      -6.7033      1.00000
     89      -6.6766      1.00000
     90      -6.6397      1.00000
     91      -6.5965      1.00000
     92      -6.1159      1.00000
     93      -6.0608      1.00000
     94      -6.0295      1.00000
     95      -6.0102      1.00000
     96      -5.7821      1.00000
     97      -4.9736      1.00000
     98      -4.8313      1.00000
     99      -4.7459      1.00000
    100      -4.6785      1.00000
    101      -4.4682      1.00000
    102      -4.2029      1.00000
    103      -4.1713      1.00000
    104      -4.1269      1.00000
    105      -3.7289      1.00000
    106      -3.4875      1.00000
    107      -1.8703      0.00000
    108      -1.8075      0.00000
    109      -1.5242      0.00000
    110      -1.3758      0.00000
    111      -1.3211      0.00000
    112      -1.2872      0.00000
    113      -0.7197      0.00000
    114      -0.3755      0.00000
    115      -0.2484      0.00000
    116       0.0384      0.00000
    117       0.5659      0.00000
    118       0.7018      0.00000
    119       0.7476      0.00000
    120       1.0505      0.00000
    121       1.1002      0.00000
    122       1.1559      0.00000
    123       1.2301      0.00000
    124       1.3887      0.00000
    125       1.5339      0.00000
    126       1.6021      0.00000
    127       1.7206      0.00000
    128       1.7932      0.00000
    129       1.8578      0.00000
    130       1.8845      0.00000
    131       2.1018      0.00000
    132       2.2044      0.00000
    133       2.2495      0.00000
    134       2.3234      0.00000
    135       2.5259      0.00000
    136       2.6022      0.00000
    137       2.6101      0.00000
    138       2.7809      0.00000
    139       2.7929      0.00000
    140       2.8203      0.00000
    141       2.8242      0.00000
    142       2.8979      0.00000
    143       2.9353      0.00000
    144       3.1050      0.00000
    145       3.1696      0.00000
    146       3.3183      0.00000
    147       3.3446      0.00000
    148       3.3980      0.00000
    149       3.4688      0.00000
    150       3.5983      0.00000
    151       3.6412      0.00000
    152       3.6610      0.00000
    153       3.7111      0.00000
    154       3.9186      0.00000
    155       3.9645      0.00000
    156       4.0255      0.00000
    157       4.0713      0.00000
    158       4.2422      0.00000
    159       4.2545      0.00000
    160       4.2828      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2826      1.00000
      2     -22.0769      1.00000
      3     -21.7155      1.00000
      4     -21.6837      1.00000
      5     -20.9784      1.00000
      6     -20.9378      1.00000
      7     -20.6108      1.00000
      8     -20.5740      1.00000
      9     -20.5679      1.00000
     10     -20.0316      1.00000
     11     -19.5024      1.00000
     12     -19.4904      1.00000
     13     -19.3058      1.00000
     14     -19.3002      1.00000
     15     -18.4467      1.00000
     16     -18.4100      1.00000
     17     -17.9214      1.00000
     18     -17.9116      1.00000
     19     -17.7606      1.00000
     20     -17.7249      1.00000
     21     -17.4350      1.00000
     22     -17.4272      1.00000
     23     -17.3399      1.00000
     24     -16.4616      1.00000
     25     -16.4605      1.00000
     26     -15.9661      1.00000
     27     -15.4126      1.00000
     28     -15.4079      1.00000
     29     -15.0950      1.00000
     30     -15.0921      1.00000
     31     -14.8541      1.00000
     32     -14.8460      1.00000
     33     -14.2898      1.00000
     34     -14.2564      1.00000
     35     -13.4362      1.00000
     36     -13.4031      1.00000
     37     -13.1765      1.00000
     38     -13.1724      1.00000
     39     -12.9808      1.00000
     40     -12.9757      1.00000
     41     -12.6122      1.00000
     42     -12.6081      1.00000
     43     -12.1971      1.00000
     44     -11.5748      1.00000
     45     -11.5411      1.00000
     46     -11.3089      1.00000
     47     -11.2862      1.00000
     48     -11.1415      1.00000
     49     -10.6747      1.00000
     50     -10.6600      1.00000
     51     -10.5522      1.00000
     52     -10.3232      1.00000
     53     -10.3161      1.00000
     54     -10.1680      1.00000
     55     -10.1146      1.00000
     56     -10.1111      1.00000
     57      -9.7969      1.00000
     58      -9.7650      1.00000
     59      -9.7503      1.00000
     60      -9.6983      1.00000
     61      -9.6967      1.00000
     62      -9.6608      1.00000
     63      -9.3544      1.00000
     64      -9.3496      1.00000
     65      -9.3136      1.00000
     66      -9.0400      1.00000
     67      -8.9620      1.00000
     68      -8.9477      1.00000
     69      -8.7984      1.00000
     70      -8.5931      1.00000
     71      -8.5564      1.00000
     72      -8.3971      1.00000
     73      -8.3638      1.00000
     74      -8.3230      1.00000
     75      -8.3061      1.00000
     76      -8.2574      1.00000
     77      -8.2559      1.00000
     78      -8.2345      1.00000
     79      -7.9034      1.00000
     80      -7.6499      1.00000
     81      -7.5484      1.00000
     82      -7.3865      1.00000
     83      -7.3484      1.00000
     84      -7.2307      1.00000
     85      -7.0951      1.00000
     86      -7.0372      1.00000
     87      -6.9327      1.00000
     88      -6.8467      1.00000
     89      -6.6107      1.00000
     90      -6.5586      1.00000
     91      -6.2678      1.00000
     92      -6.0426      1.00000
     93      -5.9505      1.00000
     94      -5.6616      1.00000
     95      -5.6216      1.00000
     96      -5.4622      1.00000
     97      -5.3189      1.00000
     98      -5.2776      1.00000
     99      -5.2127      1.00000
    100      -5.1929      1.00000
    101      -4.5079      1.00000
    102      -4.2072      1.00000
    103      -4.0588      1.00000
    104      -3.9881      1.00000
    105      -3.6936      1.00000
    106      -3.4978      1.00000
    107      -1.9453      0.00000
    108      -1.8954      0.00000
    109      -1.3390      0.00000
    110      -1.0845      0.00000
    111      -1.0566      0.00000
    112      -0.8001      0.00000
    113      -0.6760      0.00000
    114      -0.6466      0.00000
    115      -0.6065      0.00000
    116      -0.1070      0.00000
    117       0.2162      0.00000
    118       0.3303      0.00000
    119       0.7050      0.00000
    120       0.8974      0.00000
    121       1.1308      0.00000
    122       1.2006      0.00000
    123       1.3369      0.00000
    124       1.4330      0.00000
    125       1.5589      0.00000
    126       1.5788      0.00000
    127       1.6983      0.00000
    128       1.8103      0.00000
    129       1.8891      0.00000
    130       2.0603      0.00000
    131       2.1044      0.00000
    132       2.2976      0.00000
    133       2.3548      0.00000
    134       2.4149      0.00000
    135       2.5660      0.00000
    136       2.6377      0.00000
    137       2.7170      0.00000
    138       2.7407      0.00000
    139       2.7882      0.00000
    140       2.8838      0.00000
    141       3.0495      0.00000
    142       3.0664      0.00000
    143       3.1789      0.00000
    144       3.2740      0.00000
    145       3.3713      0.00000
    146       3.4259      0.00000
    147       3.4456      0.00000
    148       3.5657      0.00000
    149       3.5849      0.00000
    150       3.6060      0.00000
    151       3.6628      0.00000
    152       3.6843      0.00000
    153       3.7638      0.00000
    154       3.7693      0.00000
    155       3.8130      0.00000
    156       3.8956      0.00000
    157       3.9360      0.00000
    158       4.0000      0.00000
    159       4.2188      0.00000
    160       4.2324      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3165      1.00000
      2     -21.9618      1.00000
      3     -21.8926      1.00000
      4     -21.3799      1.00000
      5     -21.3506      1.00000
      6     -20.8388      1.00000
      7     -20.7734      1.00000
      8     -20.6232      1.00000
      9     -20.0763      1.00000
     10     -20.0709      1.00000
     11     -19.7159      1.00000
     12     -19.6913      1.00000
     13     -18.9952      1.00000
     14     -18.9897      1.00000
     15     -18.6394      1.00000
     16     -18.6235      1.00000
     17     -18.4613      1.00000
     18     -17.6744      1.00000
     19     -17.6240      1.00000
     20     -17.6213      1.00000
     21     -17.5794      1.00000
     22     -17.1255      1.00000
     23     -17.1038      1.00000
     24     -16.9609      1.00000
     25     -16.0008      1.00000
     26     -15.9276      1.00000
     27     -15.5848      1.00000
     28     -15.5846      1.00000
     29     -15.2853      1.00000
     30     -14.8634      1.00000
     31     -14.8359      1.00000
     32     -14.5783      1.00000
     33     -14.5363      1.00000
     34     -14.1667      1.00000
     35     -14.1533      1.00000
     36     -13.1476      1.00000
     37     -13.1000      1.00000
     38     -13.0290      1.00000
     39     -13.0187      1.00000
     40     -12.7083      1.00000
     41     -12.7044      1.00000
     42     -12.3400      1.00000
     43     -12.3088      1.00000
     44     -11.6342      1.00000
     45     -11.6205      1.00000
     46     -11.5699      1.00000
     47     -10.9477      1.00000
     48     -10.9148      1.00000
     49     -10.6319      1.00000
     50     -10.6243      1.00000
     51     -10.5465      1.00000
     52     -10.4980      1.00000
     53     -10.4978      1.00000
     54     -10.4396      1.00000
     55     -10.3604      1.00000
     56     -10.0983      1.00000
     57      -9.9023      1.00000
     58      -9.6088      1.00000
     59      -9.5562      1.00000
     60      -9.4511      1.00000
     61      -9.4104      1.00000
     62      -9.4039      1.00000
     63      -9.3769      1.00000
     64      -9.3768      1.00000
     65      -9.2862      1.00000
     66      -9.1667      1.00000
     67      -9.1413      1.00000
     68      -9.1124      1.00000
     69      -8.8629      1.00000
     70      -8.8554      1.00000
     71      -8.8141      1.00000
     72      -8.5958      1.00000
     73      -8.4789      1.00000
     74      -8.1970      1.00000
     75      -8.1616      1.00000
     76      -8.0075      1.00000
     77      -7.9632      1.00000
     78      -7.8510      1.00000
     79      -7.8403      1.00000
     80      -7.7035      1.00000
     81      -7.6963      1.00000
     82      -7.6207      1.00000
     83      -7.4476      1.00000
     84      -7.2990      1.00000
     85      -7.2520      1.00000
     86      -6.9050      1.00000
     87      -6.8912      1.00000
     88      -6.5873      1.00000
     89      -6.5500      1.00000
     90      -6.4070      1.00000
     91      -6.2524      1.00000
     92      -6.2316      1.00000
     93      -6.2027      1.00000
     94      -6.0219      1.00000
     95      -5.5488      1.00000
     96      -5.4879      1.00000
     97      -5.3494      1.00000
     98      -5.2185      1.00000
     99      -4.9786      1.00000
    100      -4.7318      1.00000
    101      -4.6771      1.00000
    102      -4.3865      1.00000
    103      -4.2026      1.00000
    104      -3.8705      1.00000
    105      -3.5458      1.00000
    106      -3.5099      1.00000
    107      -2.2548      0.00000
    108      -1.4570      0.00000
    109      -1.3694      0.00000
    110      -1.2408      0.00000
    111      -1.0974      0.00000
    112      -0.9448      0.00000
    113      -0.8634      0.00000
    114      -0.8030      0.00000
    115      -0.1383      0.00000
    116       0.1131      0.00000
    117       0.2419      0.00000
    118       0.3788      0.00000
    119       0.6632      0.00000
    120       0.8375      0.00000
    121       0.9375      0.00000
    122       1.0728      0.00000
    123       1.2456      0.00000
    124       1.4557      0.00000
    125       1.5730      0.00000
    126       1.7670      0.00000
    127       1.7925      0.00000
    128       1.8611      0.00000
    129       1.9922      0.00000
    130       2.0443      0.00000
    131       2.1851      0.00000
    132       2.1960      0.00000
    133       2.4137      0.00000
    134       2.4264      0.00000
    135       2.4977      0.00000
    136       2.6057      0.00000
    137       2.6347      0.00000
    138       2.7091      0.00000
    139       2.7805      0.00000
    140       2.8521      0.00000
    141       2.9691      0.00000
    142       3.0886      0.00000
    143       3.1744      0.00000
    144       3.2056      0.00000
    145       3.2354      0.00000
    146       3.3228      0.00000
    147       3.3288      0.00000
    148       3.4746      0.00000
    149       3.5209      0.00000
    150       3.7005      0.00000
    151       3.7252      0.00000
    152       3.7319      0.00000
    153       3.8692      0.00000
    154       3.9029      0.00000
    155       3.9542      0.00000
    156       3.9761      0.00000
    157       3.9906      0.00000
    158       4.0357      0.00000
    159       4.0540      0.00000
    160       4.0554      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2096      1.00000
      2     -22.1165      1.00000
      3     -21.9558      1.00000
      4     -21.4034      1.00000
      5     -21.0488      1.00000
      6     -21.0128      1.00000
      7     -20.4998      1.00000
      8     -20.4602      1.00000
      9     -20.2939      1.00000
     10     -20.2747      1.00000
     11     -19.9565      1.00000
     12     -19.8907      1.00000
     13     -18.8815      1.00000
     14     -18.8127      1.00000
     15     -18.3520      1.00000
     16     -18.3057      1.00000
     17     -18.1520      1.00000
     18     -18.1349      1.00000
     19     -17.8258      1.00000
     20     -17.7883      1.00000
     21     -17.2509      1.00000
     22     -17.2406      1.00000
     23     -17.1638      1.00000
     24     -17.1318      1.00000
     25     -16.1093      1.00000
     26     -15.8841      1.00000
     27     -15.8693      1.00000
     28     -15.8330      1.00000
     29     -15.2355      1.00000
     30     -14.5540      1.00000
     31     -14.5260      1.00000
     32     -14.2792      1.00000
     33     -13.9633      1.00000
     34     -13.9557      1.00000
     35     -13.8196      1.00000
     36     -13.8038      1.00000
     37     -13.6135      1.00000
     38     -13.5697      1.00000
     39     -13.3689      1.00000
     40     -12.6337      1.00000
     41     -12.1799      1.00000
     42     -12.1319      1.00000
     43     -12.0706      1.00000
     44     -12.0184      1.00000
     45     -11.6692      1.00000
     46     -11.6557      1.00000
     47     -11.1378      1.00000
     48     -11.1173      1.00000
     49     -10.7931      1.00000
     50     -10.7296      1.00000
     51     -10.5281      1.00000
     52     -10.2088      1.00000
     53     -10.2041      1.00000
     54     -10.1634      1.00000
     55     -10.0173      1.00000
     56     -10.0032      1.00000
     57      -9.9896      1.00000
     58      -9.8006      1.00000
     59      -9.7969      1.00000
     60      -9.7616      1.00000
     61      -9.7566      1.00000
     62      -9.4529      1.00000
     63      -9.4163      1.00000
     64      -9.0794      1.00000
     65      -9.0722      1.00000
     66      -9.0398      1.00000
     67      -8.9540      1.00000
     68      -8.8761      1.00000
     69      -8.7116      1.00000
     70      -8.6991      1.00000
     71      -8.5643      1.00000
     72      -8.5414      1.00000
     73      -8.4981      1.00000
     74      -8.4625      1.00000
     75      -8.4515      1.00000
     76      -8.2593      1.00000
     77      -8.1243      1.00000
     78      -8.0423      1.00000
     79      -7.9153      1.00000
     80      -7.8621      1.00000
     81      -7.6136      1.00000
     82      -7.5471      1.00000
     83      -7.4882      1.00000
     84      -7.2667      1.00000
     85      -6.9953      1.00000
     86      -6.9226      1.00000
     87      -6.8819      1.00000
     88      -6.5309      1.00000
     89      -6.4855      1.00000
     90      -6.4599      1.00000
     91      -6.4090      1.00000
     92      -5.9828      1.00000
     93      -5.8964      1.00000
     94      -5.7834      1.00000
     95      -5.7585      1.00000
     96      -5.4310      1.00000
     97      -5.3284      1.00000
     98      -5.2289      1.00000
     99      -5.2166      1.00000
    100      -5.1875      1.00000
    101      -4.6914      1.00000
    102      -4.4207      1.00000
    103      -4.2091      1.00000
    104      -3.8336      1.00000
    105      -3.5291      1.00000
    106      -3.2734      1.00000
    107      -2.5300      0.00000
    108      -1.4583      0.00000
    109      -1.2653      0.00000
    110      -1.2022      0.00000
    111      -1.1714      0.00000
    112      -0.7195      0.00000
    113      -0.5029      0.00000
    114      -0.4114      0.00000
    115      -0.3382      0.00000
    116      -0.1454      0.00000
    117      -0.0024      0.00000
    118       0.1955      0.00000
    119       0.5635      0.00000
    120       0.6135      0.00000
    121       0.8059      0.00000
    122       0.9185      0.00000
    123       1.1446      0.00000
    124       1.5090      0.00000
    125       1.6472      0.00000
    126       1.8769      0.00000
    127       1.9409      0.00000
    128       2.1024      0.00000
    129       2.1178      0.00000
    130       2.1341      0.00000
    131       2.1662      0.00000
    132       2.2810      0.00000
    133       2.3149      0.00000
    134       2.4545      0.00000
    135       2.5783      0.00000
    136       2.6680      0.00000
    137       2.8633      0.00000
    138       2.8737      0.00000
    139       2.9059      0.00000
    140       3.0131      0.00000
    141       3.0298      0.00000
    142       3.1442      0.00000
    143       3.1542      0.00000
    144       3.2324      0.00000
    145       3.2771      0.00000
    146       3.2926      0.00000
    147       3.3103      0.00000
    148       3.3556      0.00000
    149       3.4377      0.00000
    150       3.4553      0.00000
    151       3.5639      0.00000
    152       3.6214      0.00000
    153       3.6678      0.00000
    154       3.7062      0.00000
    155       3.7903      0.00000
    156       3.9053      0.00000
    157       3.9450      0.00000
    158       4.0155      0.00000
    159       4.1561      0.00000
    160       4.2394      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3163      1.00000
      2     -21.9634      1.00000
      3     -21.8911      1.00000
      4     -21.3837      1.00000
      5     -21.3471      1.00000
      6     -20.8384      1.00000
      7     -20.7720      1.00000
      8     -20.6239      1.00000
      9     -20.0886      1.00000
     10     -20.0599      1.00000
     11     -19.7174      1.00000
     12     -19.6885      1.00000
     13     -19.0088      1.00000
     14     -18.9777      1.00000
     15     -18.6488      1.00000
     16     -18.6161      1.00000
     17     -18.4595      1.00000
     18     -17.6596      1.00000
     19     -17.6455      1.00000
     20     -17.6094      1.00000
     21     -17.5768      1.00000
     22     -17.1363      1.00000
     23     -17.0963      1.00000
     24     -16.9648      1.00000
     25     -16.0072      1.00000
     26     -15.9223      1.00000
     27     -15.5976      1.00000
     28     -15.5742      1.00000
     29     -15.2789      1.00000
     30     -14.8756      1.00000
     31     -14.8286      1.00000
     32     -14.5734      1.00000
     33     -14.5357      1.00000
     34     -14.1631      1.00000
     35     -14.1590      1.00000
     36     -13.1612      1.00000
     37     -13.0944      1.00000
     38     -13.0218      1.00000
     39     -13.0173      1.00000
     40     -12.7167      1.00000
     41     -12.6934      1.00000
     42     -12.3396      1.00000
     43     -12.3124      1.00000
     44     -11.6309      1.00000
     45     -11.6217      1.00000
     46     -11.5692      1.00000
     47     -10.9399      1.00000
     48     -10.9219      1.00000
     49     -10.6681      1.00000
     50     -10.5884      1.00000
     51     -10.5720      1.00000
     52     -10.5003      1.00000
     53     -10.4876      1.00000
     54     -10.4376      1.00000
     55     -10.3545      1.00000
     56     -10.1027      1.00000
     57      -9.8965      1.00000
     58      -9.6069      1.00000
     59      -9.5498      1.00000
     60      -9.4531      1.00000
     61      -9.4179      1.00000
     62      -9.4079      1.00000
     63      -9.3779      1.00000
     64      -9.3705      1.00000
     65      -9.2663      1.00000
     66      -9.1647      1.00000
     67      -9.1405      1.00000
     68      -9.1151      1.00000
     69      -8.8652      1.00000
     70      -8.8591      1.00000
     71      -8.8013      1.00000
     72      -8.5953      1.00000
     73      -8.5256      1.00000
     74      -8.1924      1.00000
     75      -8.1695      1.00000
     76      -8.0746      1.00000
     77      -7.8560      1.00000
     78      -7.8358      1.00000
     79      -7.8223      1.00000
     80      -7.7095      1.00000
     81      -7.6948      1.00000
     82      -7.5960      1.00000
     83      -7.5289      1.00000
     84      -7.3490      1.00000
     85      -7.1662      1.00000
     86      -6.9046      1.00000
     87      -6.8944      1.00000
     88      -6.5913      1.00000
     89      -6.5501      1.00000
     90      -6.4043      1.00000
     91      -6.3010      1.00000
     92      -6.2463      1.00000
     93      -6.2007      1.00000
     94      -6.0029      1.00000
     95      -5.5308      1.00000
     96      -5.4643      1.00000
     97      -5.3130      1.00000
     98      -5.2084      1.00000
     99      -5.0460      1.00000
    100      -4.7226      1.00000
    101      -4.6708      1.00000
    102      -4.4231      1.00000
    103      -4.1942      1.00000
    104      -3.8423      1.00000
    105      -3.6340      1.00000
    106      -3.4154      1.00000
    107      -2.2922      0.00000
    108      -1.5094      0.00000
    109      -1.2693      0.00000
    110      -1.2616      0.00000
    111      -1.0337      0.00000
    112      -0.9759      0.00000
    113      -0.8673      0.00000
    114      -0.7988      0.00000
    115      -0.2607      0.00000
    116       0.2046      0.00000
    117       0.2402      0.00000
    118       0.3619      0.00000
    119       0.7015      0.00000
    120       0.8959      0.00000
    121       0.9256      0.00000
    122       1.0491      0.00000
    123       1.1777      0.00000
    124       1.5187      0.00000
    125       1.5798      0.00000
    126       1.7184      0.00000
    127       1.7805      0.00000
    128       1.8289      0.00000
    129       1.9520      0.00000
    130       2.0077      0.00000
    131       2.1738      0.00000
    132       2.2831      0.00000
    133       2.4159      0.00000
    134       2.4357      0.00000
    135       2.4934      0.00000
    136       2.6030      0.00000
    137       2.6194      0.00000
    138       2.7135      0.00000
    139       2.7593      0.00000
    140       2.8798      0.00000
    141       3.0507      0.00000
    142       3.0880      0.00000
    143       3.1727      0.00000
    144       3.2208      0.00000
    145       3.2376      0.00000
    146       3.3025      0.00000
    147       3.3531      0.00000
    148       3.4621      0.00000
    149       3.5389      0.00000
    150       3.7023      0.00000
    151       3.7212      0.00000
    152       3.7566      0.00000
    153       3.8367      0.00000
    154       3.8859      0.00000
    155       3.9418      0.00000
    156       3.9806      0.00000
    157       3.9938      0.00000
    158       4.0224      0.00000
    159       4.0364      0.00000
    160       4.0839      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3885      1.00000
      2     -21.8297      1.00000
      3     -21.6404      1.00000
      4     -21.6054      1.00000
      5     -21.2777      1.00000
      6     -21.2307      1.00000
      7     -21.0553      1.00000
      8     -20.1704      1.00000
      9     -20.1242      1.00000
     10     -19.6163      1.00000
     11     -19.5895      1.00000
     12     -19.4144      1.00000
     13     -19.0937      1.00000
     14     -19.0550      1.00000
     15     -19.0506      1.00000
     16     -19.0373      1.00000
     17     -18.3660      1.00000
     18     -18.3457      1.00000
     19     -18.0153      1.00000
     20     -17.0712      1.00000
     21     -17.0224      1.00000
     22     -16.9486      1.00000
     23     -16.9346      1.00000
     24     -16.4737      1.00000
     25     -16.4622      1.00000
     26     -15.6087      1.00000
     27     -15.6082      1.00000
     28     -15.2492      1.00000
     29     -15.2365      1.00000
     30     -15.1897      1.00000
     31     -15.0999      1.00000
     32     -15.0664      1.00000
     33     -14.6977      1.00000
     34     -14.6963      1.00000
     35     -13.7244      1.00000
     36     -13.7238      1.00000
     37     -13.2334      1.00000
     38     -12.6230      1.00000
     39     -12.5783      1.00000
     40     -12.4532      1.00000
     41     -12.4475      1.00000
     42     -12.1047      1.00000
     43     -12.0992      1.00000
     44     -11.7212      1.00000
     45     -11.6826      1.00000
     46     -11.2446      1.00000
     47     -11.2234      1.00000
     48     -11.0160      1.00000
     49     -11.0041      1.00000
     50     -10.9270      1.00000
     51     -10.8985      1.00000
     52     -10.6361      1.00000
     53     -10.1706      1.00000
     54     -10.1477      1.00000
     55     -10.0825      1.00000
     56      -9.9910      1.00000
     57      -9.6949      1.00000
     58      -9.6887      1.00000
     59      -9.6692      1.00000
     60      -9.5905      1.00000
     61      -9.5670      1.00000
     62      -9.5525      1.00000
     63      -9.3111      1.00000
     64      -9.2983      1.00000
     65      -9.2819      1.00000
     66      -9.2429      1.00000
     67      -9.1209      1.00000
     68      -9.1106      1.00000
     69      -9.1092      1.00000
     70      -8.9383      1.00000
     71      -8.8753      1.00000
     72      -8.6043      1.00000
     73      -8.5862      1.00000
     74      -8.2700      1.00000
     75      -8.0990      1.00000
     76      -7.8677      1.00000
     77      -7.8424      1.00000
     78      -7.7894      1.00000
     79      -7.7633      1.00000
     80      -7.7537      1.00000
     81      -7.4463      1.00000
     82      -7.3331      1.00000
     83      -7.3208      1.00000
     84      -7.2648      1.00000
     85      -7.1612      1.00000
     86      -7.0153      1.00000
     87      -6.9849      1.00000
     88      -6.7163      1.00000
     89      -6.6894      1.00000
     90      -6.6305      1.00000
     91      -6.5891      1.00000
     92      -6.1151      1.00000
     93      -6.0585      1.00000
     94      -6.0434      1.00000
     95      -6.0284      1.00000
     96      -5.7469      1.00000
     97      -4.9739      1.00000
     98      -4.8386      1.00000
     99      -4.7079      1.00000
    100      -4.6727      1.00000
    101      -4.4829      1.00000
    102      -4.3519      1.00000
    103      -4.1107      1.00000
    104      -4.0548      1.00000
    105      -3.7543      1.00000
    106      -3.4650      1.00000
    107      -1.9513      0.00000
    108      -1.7704      0.00000
    109      -1.4792      0.00000
    110      -1.3549      0.00000
    111      -1.3347      0.00000
    112      -1.2909      0.00000
    113      -0.6770      0.00000
    114      -0.4711      0.00000
    115      -0.2355      0.00000
    116       0.0531      0.00000
    117       0.5997      0.00000
    118       0.6922      0.00000
    119       0.7711      0.00000
    120       1.0257      0.00000
    121       1.0979      0.00000
    122       1.1812      0.00000
    123       1.2549      0.00000
    124       1.3441      0.00000
    125       1.4480      0.00000
    126       1.6175      0.00000
    127       1.7459      0.00000
    128       1.8474      0.00000
    129       1.8566      0.00000
    130       1.8942      0.00000
    131       2.0415      0.00000
    132       2.2278      0.00000
    133       2.2530      0.00000
    134       2.3067      0.00000
    135       2.4853      0.00000
    136       2.5984      0.00000
    137       2.6420      0.00000
    138       2.7776      0.00000
    139       2.7820      0.00000
    140       2.8267      0.00000
    141       2.8395      0.00000
    142       2.8516      0.00000
    143       2.9228      0.00000
    144       3.1121      0.00000
    145       3.3172      0.00000
    146       3.3363      0.00000
    147       3.3776      0.00000
    148       3.4058      0.00000
    149       3.4266      0.00000
    150       3.5853      0.00000
    151       3.6271      0.00000
    152       3.6780      0.00000
    153       3.7387      0.00000
    154       3.9024      0.00000
    155       3.9353      0.00000
    156       3.9531      0.00000
    157       4.1076      0.00000
    158       4.2126      0.00000
    159       4.2582      0.00000
    160       4.2865      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2087      1.00000
      2     -22.1178      1.00000
      3     -21.9555      1.00000
      4     -21.4036      1.00000
      5     -21.0449      1.00000
      6     -21.0166      1.00000
      7     -20.4948      1.00000
      8     -20.4650      1.00000
      9     -20.2849      1.00000
     10     -20.2830      1.00000
     11     -19.9556      1.00000
     12     -19.8925      1.00000
     13     -18.8824      1.00000
     14     -18.8148      1.00000
     15     -18.3366      1.00000
     16     -18.3171      1.00000
     17     -18.1480      1.00000
     18     -18.1403      1.00000
     19     -17.8146      1.00000
     20     -17.7963      1.00000
     21     -17.2570      1.00000
     22     -17.2375      1.00000
     23     -17.1590      1.00000
     24     -17.1346      1.00000
     25     -16.1145      1.00000
     26     -15.8797      1.00000
     27     -15.8686      1.00000
     28     -15.8393      1.00000
     29     -15.2299      1.00000
     30     -14.5501      1.00000
     31     -14.5318      1.00000
     32     -14.2748      1.00000
     33     -13.9733      1.00000
     34     -13.9495      1.00000
     35     -13.8231      1.00000
     36     -13.8011      1.00000
     37     -13.6032      1.00000
     38     -13.5777      1.00000
     39     -13.3686      1.00000
     40     -12.6369      1.00000
     41     -12.1682      1.00000
     42     -12.1416      1.00000
     43     -12.0674      1.00000
     44     -12.0204      1.00000
     45     -11.6629      1.00000
     46     -11.6583      1.00000
     47     -11.1359      1.00000
     48     -11.1250      1.00000
     49     -10.7902      1.00000
     50     -10.7338      1.00000
     51     -10.5349      1.00000
     52     -10.2066      1.00000
     53     -10.2006      1.00000
     54     -10.1691      1.00000
     55     -10.0212      1.00000
     56      -9.9928      1.00000
     57      -9.9884      1.00000
     58      -9.8035      1.00000
     59      -9.7942      1.00000
     60      -9.7631      1.00000
     61      -9.7558      1.00000
     62      -9.4543      1.00000
     63      -9.4163      1.00000
     64      -9.0831      1.00000
     65      -9.0442      1.00000
     66      -9.0242      1.00000
     67      -8.9697      1.00000
     68      -8.8967      1.00000
     69      -8.7064      1.00000
     70      -8.6974      1.00000
     71      -8.5600      1.00000
     72      -8.5493      1.00000
     73      -8.4767      1.00000
     74      -8.4585      1.00000
     75      -8.4556      1.00000
     76      -8.3075      1.00000
     77      -8.0939      1.00000
     78      -8.0880      1.00000
     79      -7.9244      1.00000
     80      -7.8304      1.00000
     81      -7.5997      1.00000
     82      -7.5373      1.00000
     83      -7.4417      1.00000
     84      -7.3132      1.00000
     85      -6.9915      1.00000
     86      -6.9171      1.00000
     87      -6.8797      1.00000
     88      -6.5281      1.00000
     89      -6.5140      1.00000
     90      -6.4805      1.00000
     91      -6.4194      1.00000
     92      -5.9258      1.00000
     93      -5.9044      1.00000
     94      -5.7878      1.00000
     95      -5.7736      1.00000
     96      -5.3686      1.00000
     97      -5.3617      1.00000
     98      -5.2195      1.00000
     99      -5.2143      1.00000
    100      -5.1974      1.00000
    101      -4.7195      1.00000
    102      -4.4417      1.00000
    103      -4.1903      1.00000
    104      -3.8199      1.00000
    105      -3.5654      1.00000
    106      -3.2201      1.00000
    107      -2.5624      0.00000
    108      -1.4634      0.00000
    109      -1.2652      0.00000
    110      -1.1849      0.00000
    111      -1.1833      0.00000
    112      -0.6442      0.00000
    113      -0.5504      0.00000
    114      -0.4143      0.00000
    115      -0.3468      0.00000
    116      -0.0763      0.00000
    117      -0.0619      0.00000
    118       0.1278      0.00000
    119       0.5933      0.00000
    120       0.6280      0.00000
    121       0.8664      0.00000
    122       0.9979      0.00000
    123       1.0129      0.00000
    124       1.5031      0.00000
    125       1.6957      0.00000
    126       1.7946      0.00000
    127       1.8792      0.00000
    128       2.0994      0.00000
    129       2.1287      0.00000
    130       2.1777      0.00000
    131       2.2108      0.00000
    132       2.2499      0.00000
    133       2.3317      0.00000
    134       2.4887      0.00000
    135       2.5056      0.00000
    136       2.6797      0.00000
    137       2.8537      0.00000
    138       2.8626      0.00000
    139       2.9654      0.00000
    140       3.0022      0.00000
    141       3.0453      0.00000
    142       3.1478      0.00000
    143       3.1550      0.00000
    144       3.2522      0.00000
    145       3.2542      0.00000
    146       3.2839      0.00000
    147       3.3126      0.00000
    148       3.3650      0.00000
    149       3.4302      0.00000
    150       3.5618      0.00000
    151       3.5755      0.00000
    152       3.6556      0.00000
    153       3.6562      0.00000
    154       3.6732      0.00000
    155       3.7076      0.00000
    156       3.9085      0.00000
    157       3.9623      0.00000
    158       4.0502      0.00000
    159       4.1003      0.00000
    160       4.2045      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2821      1.00000
      2     -22.0775      1.00000
      3     -21.7192      1.00000
      4     -21.6800      1.00000
      5     -20.9817      1.00000
      6     -20.9339      1.00000
      7     -20.6101      1.00000
      8     -20.5780      1.00000
      9     -20.5645      1.00000
     10     -20.0310      1.00000
     11     -19.5127      1.00000
     12     -19.4821      1.00000
     13     -19.3106      1.00000
     14     -19.2971      1.00000
     15     -18.4484      1.00000
     16     -18.4052      1.00000
     17     -17.9267      1.00000
     18     -17.9059      1.00000
     19     -17.7647      1.00000
     20     -17.7197      1.00000
     21     -17.4407      1.00000
     22     -17.4218      1.00000
     23     -17.3369      1.00000
     24     -16.4698      1.00000
     25     -16.4601      1.00000
     26     -15.9685      1.00000
     27     -15.4103      1.00000
     28     -15.4091      1.00000
     29     -15.0950      1.00000
     30     -15.0922      1.00000
     31     -14.8525      1.00000
     32     -14.8395      1.00000
     33     -14.2963      1.00000
     34     -14.2521      1.00000
     35     -13.4428      1.00000
     36     -13.3985      1.00000
     37     -13.1745      1.00000
     38     -13.1726      1.00000
     39     -12.9839      1.00000
     40     -12.9747      1.00000
     41     -12.6102      1.00000
     42     -12.6076      1.00000
     43     -12.1948      1.00000
     44     -11.5791      1.00000
     45     -11.5380      1.00000
     46     -11.3129      1.00000
     47     -11.2826      1.00000
     48     -11.1400      1.00000
     49     -10.6919      1.00000
     50     -10.6620      1.00000
     51     -10.5462      1.00000
     52     -10.3206      1.00000
     53     -10.3127      1.00000
     54     -10.1744      1.00000
     55     -10.1204      1.00000
     56     -10.1074      1.00000
     57      -9.8101      1.00000
     58      -9.7506      1.00000
     59      -9.7505      1.00000
     60      -9.7001      1.00000
     61      -9.6967      1.00000
     62      -9.6454      1.00000
     63      -9.3507      1.00000
     64      -9.3495      1.00000
     65      -9.3179      1.00000
     66      -9.0268      1.00000
     67      -8.9599      1.00000
     68      -8.9564      1.00000
     69      -8.7741      1.00000
     70      -8.5918      1.00000
     71      -8.5872      1.00000
     72      -8.4226      1.00000
     73      -8.3483      1.00000
     74      -8.3217      1.00000
     75      -8.3012      1.00000
     76      -8.2648      1.00000
     77      -8.2541      1.00000
     78      -8.2390      1.00000
     79      -7.9201      1.00000
     80      -7.7326      1.00000
     81      -7.3776      1.00000
     82      -7.3473      1.00000
     83      -7.3224      1.00000
     84      -7.2149      1.00000
     85      -7.1589      1.00000
     86      -7.0639      1.00000
     87      -6.9593      1.00000
     88      -6.9039      1.00000
     89      -6.6140      1.00000
     90      -6.5540      1.00000
     91      -6.2717      1.00000
     92      -5.9953      1.00000
     93      -5.9585      1.00000
     94      -5.6741      1.00000
     95      -5.6475      1.00000
     96      -5.3863      1.00000
     97      -5.3143      1.00000
     98      -5.2929      1.00000
     99      -5.2108      1.00000
    100      -5.1991      1.00000
    101      -4.5109      1.00000
    102      -4.3386      1.00000
    103      -3.9954      1.00000
    104      -3.8852      1.00000
    105      -3.7922      1.00000
    106      -3.4427      1.00000
    107      -2.0352      0.00000
    108      -1.8625      0.00000
    109      -1.2173      0.00000
    110      -1.1820      0.00000
    111      -1.0356      0.00000
    112      -0.7719      0.00000
    113      -0.6762      0.00000
    114      -0.6596      0.00000
    115      -0.6084      0.00000
    116      -0.1002      0.00000
    117       0.2238      0.00000
    118       0.2417      0.00000
    119       0.7820      0.00000
    120       0.9944      0.00000
    121       1.0763      0.00000
    122       1.2447      0.00000
    123       1.2538      0.00000
    124       1.3514      0.00000
    125       1.5841      0.00000
    126       1.5854      0.00000
    127       1.7237      0.00000
    128       1.7975      0.00000
    129       1.9623      0.00000
    130       1.9866      0.00000
    131       2.0485      0.00000
    132       2.2579      0.00000
    133       2.3428      0.00000
    134       2.4327      0.00000
    135       2.5586      0.00000
    136       2.6368      0.00000
    137       2.7230      0.00000
    138       2.7919      0.00000
    139       2.8568      0.00000
    140       2.8683      0.00000
    141       3.0453      0.00000
    142       3.1133      0.00000
    143       3.1729      0.00000
    144       3.2285      0.00000
    145       3.3794      0.00000
    146       3.4210      0.00000
    147       3.5141      0.00000
    148       3.5573      0.00000
    149       3.5938      0.00000
    150       3.6103      0.00000
    151       3.6580      0.00000
    152       3.7443      0.00000
    153       3.7562      0.00000
    154       3.7618      0.00000
    155       3.7740      0.00000
    156       3.8789      0.00000
    157       4.0237      0.00000
    158       4.1010      0.00000
    159       4.1814      0.00000
    160       4.2258      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4252      1.00000
      2     -21.6021      1.00000
      3     -21.4803      1.00000
      4     -21.4713      1.00000
      5     -21.4396      1.00000
      6     -21.4389      1.00000
      7     -21.4286      1.00000
      8     -19.7065      1.00000
      9     -19.6514      1.00000
     10     -19.6281      1.00000
     11     -19.6173      1.00000
     12     -19.6122      1.00000
     13     -19.6105      1.00000
     14     -18.7891      1.00000
     15     -18.7532      1.00000
     16     -18.7335      1.00000
     17     -18.7241      1.00000
     18     -18.7166      1.00000
     19     -18.7121      1.00000
     20     -16.6336      1.00000
     21     -16.6078      1.00000
     22     -16.5837      1.00000
     23     -16.5804      1.00000
     24     -16.5531      1.00000
     25     -16.5516      1.00000
     26     -15.6130      1.00000
     27     -15.6018      1.00000
     28     -15.5980      1.00000
     29     -15.5633      1.00000
     30     -15.5617      1.00000
     31     -15.5595      1.00000
     32     -14.2583      1.00000
     33     -14.2490      1.00000
     34     -14.2400      1.00000
     35     -14.2351      1.00000
     36     -14.2207      1.00000
     37     -14.2181      1.00000
     38     -11.9049      1.00000
     39     -11.8782      1.00000
     40     -11.8676      1.00000
     41     -11.8638      1.00000
     42     -11.8433      1.00000
     43     -11.8432      1.00000
     44     -11.7696      1.00000
     45     -11.7676      1.00000
     46     -11.7337      1.00000
     47     -11.7274      1.00000
     48     -11.7244      1.00000
     49     -11.7208      1.00000
     50     -10.6751      1.00000
     51     -10.3868      1.00000
     52     -10.3829      1.00000
     53     -10.3756      1.00000
     54     -10.3668      1.00000
     55     -10.3549      1.00000
     56     -10.3522      1.00000
     57      -9.9031      1.00000
     58      -9.4493      1.00000
     59      -9.4042      1.00000
     60      -9.3611      1.00000
     61      -9.3605      1.00000
     62      -9.3526      1.00000
     63      -9.1407      1.00000
     64      -9.1223      1.00000
     65      -9.1196      1.00000
     66      -9.0844      1.00000
     67      -9.0701      1.00000
     68      -9.0691      1.00000
     69      -9.0682      1.00000
     70      -9.0636      1.00000
     71      -9.0633      1.00000
     72      -9.0372      1.00000
     73      -9.0269      1.00000
     74      -9.0251      1.00000
     75      -8.1287      1.00000
     76      -7.7454      1.00000
     77      -7.4689      1.00000
     78      -7.4648      1.00000
     79      -7.4525      1.00000
     80      -7.4333      1.00000
     81      -7.4231      1.00000
     82      -7.4046      1.00000
     83      -7.3114      1.00000
     84      -7.2700      1.00000
     85      -7.2562      1.00000
     86      -7.2473      1.00000
     87      -7.1488      1.00000
     88      -7.0476      1.00000
     89      -6.4450      1.00000
     90      -6.4145      1.00000
     91      -6.3990      1.00000
     92      -6.3622      1.00000
     93      -6.3519      1.00000
     94      -6.3392      1.00000
     95      -5.9591      1.00000
     96      -5.9555      1.00000
     97      -4.8058      1.00000
     98      -4.5438      1.00000
     99      -4.4804      1.00000
    100      -4.4738      1.00000
    101      -4.3813      1.00000
    102      -4.3807      1.00000
    103      -4.2665      1.00000
    104      -4.1867      1.00000
    105      -3.7385      1.00000
    106      -3.4772      1.00000
    107      -1.8628      0.00000
    108      -1.6693      0.00000
    109      -1.6227      0.00000
    110      -1.5904      0.00000
    111      -1.5749      0.00000
    112      -1.5740      0.00000
    113      -0.4282      0.00000
    114       0.1478      0.00000
    115       0.1918      0.00000
    116       0.2555      0.00000
    117       0.2687      0.00000
    118       0.2721      0.00000
    119       0.4788      0.00000
    120       0.5606      0.00000
    121       1.2620      0.00000
    122       1.2940      0.00000
    123       1.5524      0.00000
    124       1.7646      0.00000
    125       1.7830      0.00000
    126       1.7858      0.00000
    127       1.7869      0.00000
    128       1.8338      0.00000
    129       1.9580      0.00000
    130       1.9732      0.00000
    131       1.9756      0.00000
    132       1.9898      0.00000
    133       1.9968      0.00000
    134       2.0912      0.00000
    135       2.2703      0.00000
    136       2.3430      0.00000
    137       2.6378      0.00000
    138       2.6389      0.00000
    139       2.6701      0.00000
    140       2.7151      0.00000
    141       2.9484      0.00000
    142       3.0216      0.00000
    143       3.0235      0.00000
    144       3.0496      0.00000
    145       3.0513      0.00000
    146       3.0526      0.00000
    147       3.0902      0.00000
    148       3.2867      0.00000
    149       3.4472      0.00000
    150       3.5191      0.00000
    151       3.8190      0.00000
    152       3.9551      0.00000
    153       3.9556      0.00000
    154       3.9578      0.00000
    155       3.9604      0.00000
    156       4.0015      0.00000
    157       4.1908      0.00000
    158       4.2692      0.00000
    159       4.2762      0.00000
    160       4.2909      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3886      1.00000
      2     -21.8295      1.00000
      3     -21.6371      1.00000
      4     -21.6093      1.00000
      5     -21.2736      1.00000
      6     -21.2342      1.00000
      7     -21.0558      1.00000
      8     -20.1666      1.00000
      9     -20.1284      1.00000
     10     -19.6076      1.00000
     11     -19.5962      1.00000
     12     -19.4162      1.00000
     13     -19.0886      1.00000
     14     -19.0591      1.00000
     15     -19.0479      1.00000
     16     -19.0400      1.00000
     17     -18.3597      1.00000
     18     -18.3509      1.00000
     19     -18.0181      1.00000
     20     -17.0682      1.00000
     21     -17.0294      1.00000
     22     -16.9430      1.00000
     23     -16.9387      1.00000
     24     -16.4667      1.00000
     25     -16.4621      1.00000
     26     -15.6122      1.00000
     27     -15.6064      1.00000
     28     -15.2513      1.00000
     29     -15.2423      1.00000
     30     -15.1839      1.00000
     31     -15.0973      1.00000
     32     -15.0700      1.00000
     33     -14.6973      1.00000
     34     -14.6950      1.00000
     35     -13.7255      1.00000
     36     -13.7223      1.00000
     37     -13.2350      1.00000
     38     -12.6137      1.00000
     39     -12.5830      1.00000
     40     -12.4535      1.00000
     41     -12.4493      1.00000
     42     -12.1083      1.00000
     43     -12.1030      1.00000
     44     -11.7155      1.00000
     45     -11.6846      1.00000
     46     -11.2339      1.00000
     47     -11.2252      1.00000
     48     -11.0169      1.00000
     49     -11.0087      1.00000
     50     -10.9249      1.00000
     51     -10.9038      1.00000
     52     -10.6301      1.00000
     53     -10.1545      1.00000
     54     -10.1496      1.00000
     55     -10.0913      1.00000
     56      -9.9976      1.00000
     57      -9.7010      1.00000
     58      -9.6946      1.00000
     59      -9.6545      1.00000
     60      -9.5910      1.00000
     61      -9.5746      1.00000
     62      -9.5579      1.00000
     63      -9.3066      1.00000
     64      -9.3021      1.00000
     65      -9.2728      1.00000
     66      -9.2347      1.00000
     67      -9.1355      1.00000
     68      -9.1151      1.00000
     69      -9.1095      1.00000
     70      -8.9384      1.00000
     71      -8.8703      1.00000
     72      -8.6026      1.00000
     73      -8.5898      1.00000
     74      -8.2354      1.00000
     75      -8.1003      1.00000
     76      -7.9124      1.00000
     77      -7.8620      1.00000
     78      -7.7715      1.00000
     79      -7.7554      1.00000
     80      -7.6907      1.00000
     81      -7.5597      1.00000
     82      -7.3389      1.00000
     83      -7.3215      1.00000
     84      -7.2032      1.00000
     85      -7.1219      1.00000
     86      -7.0306      1.00000
     87      -7.0104      1.00000
     88      -6.7033      1.00000
     89      -6.6766      1.00000
     90      -6.6397      1.00000
     91      -6.5965      1.00000
     92      -6.1159      1.00000
     93      -6.0608      1.00000
     94      -6.0295      1.00000
     95      -6.0102      1.00000
     96      -5.7821      1.00000
     97      -4.9736      1.00000
     98      -4.8313      1.00000
     99      -4.7459      1.00000
    100      -4.6785      1.00000
    101      -4.4682      1.00000
    102      -4.2029      1.00000
    103      -4.1713      1.00000
    104      -4.1269      1.00000
    105      -3.7289      1.00000
    106      -3.4875      1.00000
    107      -1.8703      0.00000
    108      -1.8075      0.00000
    109      -1.5242      0.00000
    110      -1.3758      0.00000
    111      -1.3211      0.00000
    112      -1.2872      0.00000
    113      -0.7197      0.00000
    114      -0.3755      0.00000
    115      -0.2484      0.00000
    116       0.0384      0.00000
    117       0.5660      0.00000
    118       0.7018      0.00000
    119       0.7477      0.00000
    120       1.0505      0.00000
    121       1.1002      0.00000
    122       1.1560      0.00000
    123       1.2302      0.00000
    124       1.3888      0.00000
    125       1.5340      0.00000
    126       1.6022      0.00000
    127       1.7206      0.00000
    128       1.7932      0.00000
    129       1.8578      0.00000
    130       1.8846      0.00000
    131       2.1019      0.00000
    132       2.2046      0.00000
    133       2.2496      0.00000
    134       2.3234      0.00000
    135       2.5259      0.00000
    136       2.6022      0.00000
    137       2.6101      0.00000
    138       2.7809      0.00000
    139       2.7929      0.00000
    140       2.8203      0.00000
    141       2.8242      0.00000
    142       2.8979      0.00000
    143       2.9354      0.00000
    144       3.1050      0.00000
    145       3.1697      0.00000
    146       3.3183      0.00000
    147       3.3446      0.00000
    148       3.3980      0.00000
    149       3.4687      0.00000
    150       3.5982      0.00000
    151       3.6412      0.00000
    152       3.6610      0.00000
    153       3.7111      0.00000
    154       3.9186      0.00000
    155       3.9646      0.00000
    156       4.0255      0.00000
    157       4.0714      0.00000
    158       4.2422      0.00000
    159       4.2545      0.00000
    160       4.2828      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2826      1.00000
      2     -22.0769      1.00000
      3     -21.7155      1.00000
      4     -21.6837      1.00000
      5     -20.9784      1.00000
      6     -20.9378      1.00000
      7     -20.6108      1.00000
      8     -20.5740      1.00000
      9     -20.5679      1.00000
     10     -20.0316      1.00000
     11     -19.5024      1.00000
     12     -19.4904      1.00000
     13     -19.3058      1.00000
     14     -19.3002      1.00000
     15     -18.4467      1.00000
     16     -18.4100      1.00000
     17     -17.9214      1.00000
     18     -17.9116      1.00000
     19     -17.7606      1.00000
     20     -17.7249      1.00000
     21     -17.4350      1.00000
     22     -17.4272      1.00000
     23     -17.3399      1.00000
     24     -16.4616      1.00000
     25     -16.4605      1.00000
     26     -15.9661      1.00000
     27     -15.4126      1.00000
     28     -15.4079      1.00000
     29     -15.0950      1.00000
     30     -15.0921      1.00000
     31     -14.8541      1.00000
     32     -14.8460      1.00000
     33     -14.2898      1.00000
     34     -14.2564      1.00000
     35     -13.4362      1.00000
     36     -13.4031      1.00000
     37     -13.1765      1.00000
     38     -13.1724      1.00000
     39     -12.9808      1.00000
     40     -12.9757      1.00000
     41     -12.6122      1.00000
     42     -12.6081      1.00000
     43     -12.1971      1.00000
     44     -11.5748      1.00000
     45     -11.5411      1.00000
     46     -11.3089      1.00000
     47     -11.2862      1.00000
     48     -11.1415      1.00000
     49     -10.6747      1.00000
     50     -10.6600      1.00000
     51     -10.5522      1.00000
     52     -10.3232      1.00000
     53     -10.3161      1.00000
     54     -10.1680      1.00000
     55     -10.1146      1.00000
     56     -10.1111      1.00000
     57      -9.7969      1.00000
     58      -9.7650      1.00000
     59      -9.7503      1.00000
     60      -9.6983      1.00000
     61      -9.6967      1.00000
     62      -9.6608      1.00000
     63      -9.3544      1.00000
     64      -9.3496      1.00000
     65      -9.3136      1.00000
     66      -9.0400      1.00000
     67      -8.9620      1.00000
     68      -8.9477      1.00000
     69      -8.7984      1.00000
     70      -8.5931      1.00000
     71      -8.5564      1.00000
     72      -8.3971      1.00000
     73      -8.3638      1.00000
     74      -8.3230      1.00000
     75      -8.3061      1.00000
     76      -8.2574      1.00000
     77      -8.2559      1.00000
     78      -8.2345      1.00000
     79      -7.9034      1.00000
     80      -7.6499      1.00000
     81      -7.5484      1.00000
     82      -7.3865      1.00000
     83      -7.3484      1.00000
     84      -7.2307      1.00000
     85      -7.0951      1.00000
     86      -7.0372      1.00000
     87      -6.9327      1.00000
     88      -6.8467      1.00000
     89      -6.6107      1.00000
     90      -6.5586      1.00000
     91      -6.2678      1.00000
     92      -6.0426      1.00000
     93      -5.9505      1.00000
     94      -5.6616      1.00000
     95      -5.6216      1.00000
     96      -5.4622      1.00000
     97      -5.3189      1.00000
     98      -5.2776      1.00000
     99      -5.2127      1.00000
    100      -5.1929      1.00000
    101      -4.5079      1.00000
    102      -4.2072      1.00000
    103      -4.0588      1.00000
    104      -3.9881      1.00000
    105      -3.6936      1.00000
    106      -3.4978      1.00000
    107      -1.9453      0.00000
    108      -1.8954      0.00000
    109      -1.3390      0.00000
    110      -1.0845      0.00000
    111      -1.0566      0.00000
    112      -0.8001      0.00000
    113      -0.6760      0.00000
    114      -0.6466      0.00000
    115      -0.6065      0.00000
    116      -0.1070      0.00000
    117       0.2162      0.00000
    118       0.3304      0.00000
    119       0.7051      0.00000
    120       0.8975      0.00000
    121       1.1308      0.00000
    122       1.2006      0.00000
    123       1.3369      0.00000
    124       1.4331      0.00000
    125       1.5589      0.00000
    126       1.5788      0.00000
    127       1.6983      0.00000
    128       1.8104      0.00000
    129       1.8892      0.00000
    130       2.0603      0.00000
    131       2.1044      0.00000
    132       2.2976      0.00000
    133       2.3548      0.00000
    134       2.4151      0.00000
    135       2.5660      0.00000
    136       2.6377      0.00000
    137       2.7170      0.00000
    138       2.7408      0.00000
    139       2.7882      0.00000
    140       2.8838      0.00000
    141       3.0495      0.00000
    142       3.0665      0.00000
    143       3.1790      0.00000
    144       3.2740      0.00000
    145       3.3713      0.00000
    146       3.4259      0.00000
    147       3.4457      0.00000
    148       3.5657      0.00000
    149       3.5849      0.00000
    150       3.6060      0.00000
    151       3.6628      0.00000
    152       3.6843      0.00000
    153       3.7638      0.00000
    154       3.7693      0.00000
    155       3.8130      0.00000
    156       3.8956      0.00000
    157       3.9361      0.00000
    158       4.0003      0.00000
    159       4.2188      0.00000
    160       4.2324      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3165      1.00000
      2     -21.9618      1.00000
      3     -21.8926      1.00000
      4     -21.3799      1.00000
      5     -21.3506      1.00000
      6     -20.8388      1.00000
      7     -20.7734      1.00000
      8     -20.6232      1.00000
      9     -20.0763      1.00000
     10     -20.0709      1.00000
     11     -19.7159      1.00000
     12     -19.6913      1.00000
     13     -18.9952      1.00000
     14     -18.9897      1.00000
     15     -18.6394      1.00000
     16     -18.6235      1.00000
     17     -18.4613      1.00000
     18     -17.6744      1.00000
     19     -17.6240      1.00000
     20     -17.6213      1.00000
     21     -17.5794      1.00000
     22     -17.1255      1.00000
     23     -17.1038      1.00000
     24     -16.9609      1.00000
     25     -16.0008      1.00000
     26     -15.9276      1.00000
     27     -15.5848      1.00000
     28     -15.5846      1.00000
     29     -15.2853      1.00000
     30     -14.8634      1.00000
     31     -14.8359      1.00000
     32     -14.5783      1.00000
     33     -14.5363      1.00000
     34     -14.1667      1.00000
     35     -14.1533      1.00000
     36     -13.1476      1.00000
     37     -13.1000      1.00000
     38     -13.0290      1.00000
     39     -13.0187      1.00000
     40     -12.7083      1.00000
     41     -12.7044      1.00000
     42     -12.3400      1.00000
     43     -12.3088      1.00000
     44     -11.6342      1.00000
     45     -11.6205      1.00000
     46     -11.5699      1.00000
     47     -10.9477      1.00000
     48     -10.9148      1.00000
     49     -10.6319      1.00000
     50     -10.6243      1.00000
     51     -10.5465      1.00000
     52     -10.4980      1.00000
     53     -10.4978      1.00000
     54     -10.4396      1.00000
     55     -10.3604      1.00000
     56     -10.0983      1.00000
     57      -9.9023      1.00000
     58      -9.6088      1.00000
     59      -9.5562      1.00000
     60      -9.4511      1.00000
     61      -9.4104      1.00000
     62      -9.4039      1.00000
     63      -9.3769      1.00000
     64      -9.3768      1.00000
     65      -9.2862      1.00000
     66      -9.1667      1.00000
     67      -9.1413      1.00000
     68      -9.1124      1.00000
     69      -8.8629      1.00000
     70      -8.8554      1.00000
     71      -8.8141      1.00000
     72      -8.5958      1.00000
     73      -8.4789      1.00000
     74      -8.1970      1.00000
     75      -8.1616      1.00000
     76      -8.0075      1.00000
     77      -7.9632      1.00000
     78      -7.8510      1.00000
     79      -7.8403      1.00000
     80      -7.7035      1.00000
     81      -7.6963      1.00000
     82      -7.6207      1.00000
     83      -7.4476      1.00000
     84      -7.2990      1.00000
     85      -7.2520      1.00000
     86      -6.9050      1.00000
     87      -6.8912      1.00000
     88      -6.5873      1.00000
     89      -6.5500      1.00000
     90      -6.4070      1.00000
     91      -6.2524      1.00000
     92      -6.2316      1.00000
     93      -6.2027      1.00000
     94      -6.0219      1.00000
     95      -5.5488      1.00000
     96      -5.4879      1.00000
     97      -5.3494      1.00000
     98      -5.2185      1.00000
     99      -4.9786      1.00000
    100      -4.7318      1.00000
    101      -4.6771      1.00000
    102      -4.3865      1.00000
    103      -4.2026      1.00000
    104      -3.8705      1.00000
    105      -3.5458      1.00000
    106      -3.5099      1.00000
    107      -2.2548      0.00000
    108      -1.4570      0.00000
    109      -1.3694      0.00000
    110      -1.2408      0.00000
    111      -1.0974      0.00000
    112      -0.9448      0.00000
    113      -0.8634      0.00000
    114      -0.8030      0.00000
    115      -0.1382      0.00000
    116       0.1131      0.00000
    117       0.2419      0.00000
    118       0.3788      0.00000
    119       0.6633      0.00000
    120       0.8376      0.00000
    121       0.9375      0.00000
    122       1.0729      0.00000
    123       1.2456      0.00000
    124       1.4557      0.00000
    125       1.5730      0.00000
    126       1.7670      0.00000
    127       1.7926      0.00000
    128       1.8611      0.00000
    129       1.9924      0.00000
    130       2.0443      0.00000
    131       2.1851      0.00000
    132       2.1960      0.00000
    133       2.4137      0.00000
    134       2.4265      0.00000
    135       2.4976      0.00000
    136       2.6057      0.00000
    137       2.6347      0.00000
    138       2.7092      0.00000
    139       2.7805      0.00000
    140       2.8521      0.00000
    141       2.9692      0.00000
    142       3.0886      0.00000
    143       3.1744      0.00000
    144       3.2056      0.00000
    145       3.2355      0.00000
    146       3.3227      0.00000
    147       3.3288      0.00000
    148       3.4746      0.00000
    149       3.5210      0.00000
    150       3.7005      0.00000
    151       3.7253      0.00000
    152       3.7320      0.00000
    153       3.8692      0.00000
    154       3.9028      0.00000
    155       3.9543      0.00000
    156       3.9761      0.00000
    157       3.9905      0.00000
    158       4.0357      0.00000
    159       4.0540      0.00000
    160       4.0554      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2096      1.00000
      2     -22.1165      1.00000
      3     -21.9558      1.00000
      4     -21.4034      1.00000
      5     -21.0488      1.00000
      6     -21.0128      1.00000
      7     -20.4998      1.00000
      8     -20.4602      1.00000
      9     -20.2939      1.00000
     10     -20.2747      1.00000
     11     -19.9565      1.00000
     12     -19.8907      1.00000
     13     -18.8815      1.00000
     14     -18.8127      1.00000
     15     -18.3520      1.00000
     16     -18.3057      1.00000
     17     -18.1520      1.00000
     18     -18.1349      1.00000
     19     -17.8258      1.00000
     20     -17.7883      1.00000
     21     -17.2509      1.00000
     22     -17.2406      1.00000
     23     -17.1638      1.00000
     24     -17.1318      1.00000
     25     -16.1093      1.00000
     26     -15.8841      1.00000
     27     -15.8693      1.00000
     28     -15.8330      1.00000
     29     -15.2355      1.00000
     30     -14.5540      1.00000
     31     -14.5260      1.00000
     32     -14.2792      1.00000
     33     -13.9633      1.00000
     34     -13.9557      1.00000
     35     -13.8196      1.00000
     36     -13.8038      1.00000
     37     -13.6135      1.00000
     38     -13.5697      1.00000
     39     -13.3689      1.00000
     40     -12.6337      1.00000
     41     -12.1799      1.00000
     42     -12.1319      1.00000
     43     -12.0706      1.00000
     44     -12.0184      1.00000
     45     -11.6692      1.00000
     46     -11.6557      1.00000
     47     -11.1378      1.00000
     48     -11.1173      1.00000
     49     -10.7931      1.00000
     50     -10.7296      1.00000
     51     -10.5281      1.00000
     52     -10.2088      1.00000
     53     -10.2041      1.00000
     54     -10.1634      1.00000
     55     -10.0173      1.00000
     56     -10.0032      1.00000
     57      -9.9896      1.00000
     58      -9.8006      1.00000
     59      -9.7969      1.00000
     60      -9.7616      1.00000
     61      -9.7566      1.00000
     62      -9.4529      1.00000
     63      -9.4163      1.00000
     64      -9.0794      1.00000
     65      -9.0722      1.00000
     66      -9.0398      1.00000
     67      -8.9540      1.00000
     68      -8.8761      1.00000
     69      -8.7116      1.00000
     70      -8.6991      1.00000
     71      -8.5643      1.00000
     72      -8.5414      1.00000
     73      -8.4981      1.00000
     74      -8.4625      1.00000
     75      -8.4515      1.00000
     76      -8.2593      1.00000
     77      -8.1243      1.00000
     78      -8.0423      1.00000
     79      -7.9153      1.00000
     80      -7.8621      1.00000
     81      -7.6136      1.00000
     82      -7.5471      1.00000
     83      -7.4882      1.00000
     84      -7.2667      1.00000
     85      -6.9953      1.00000
     86      -6.9226      1.00000
     87      -6.8819      1.00000
     88      -6.5309      1.00000
     89      -6.4855      1.00000
     90      -6.4599      1.00000
     91      -6.4090      1.00000
     92      -5.9828      1.00000
     93      -5.8964      1.00000
     94      -5.7834      1.00000
     95      -5.7585      1.00000
     96      -5.4310      1.00000
     97      -5.3284      1.00000
     98      -5.2289      1.00000
     99      -5.2166      1.00000
    100      -5.1875      1.00000
    101      -4.6914      1.00000
    102      -4.4207      1.00000
    103      -4.2091      1.00000
    104      -3.8336      1.00000
    105      -3.5291      1.00000
    106      -3.2734      1.00000
    107      -2.5300      0.00000
    108      -1.4583      0.00000
    109      -1.2653      0.00000
    110      -1.2022      0.00000
    111      -1.1714      0.00000
    112      -0.7195      0.00000
    113      -0.5029      0.00000
    114      -0.4114      0.00000
    115      -0.3382      0.00000
    116      -0.1453      0.00000
    117      -0.0024      0.00000
    118       0.1955      0.00000
    119       0.5635      0.00000
    120       0.6135      0.00000
    121       0.8060      0.00000
    122       0.9186      0.00000
    123       1.1446      0.00000
    124       1.5090      0.00000
    125       1.6472      0.00000
    126       1.8770      0.00000
    127       1.9409      0.00000
    128       2.1024      0.00000
    129       2.1178      0.00000
    130       2.1342      0.00000
    131       2.1662      0.00000
    132       2.2810      0.00000
    133       2.3149      0.00000
    134       2.4545      0.00000
    135       2.5783      0.00000
    136       2.6680      0.00000
    137       2.8634      0.00000
    138       2.8737      0.00000
    139       2.9059      0.00000
    140       3.0131      0.00000
    141       3.0298      0.00000
    142       3.1442      0.00000
    143       3.1542      0.00000
    144       3.2323      0.00000
    145       3.2771      0.00000
    146       3.2926      0.00000
    147       3.3103      0.00000
    148       3.3556      0.00000
    149       3.4377      0.00000
    150       3.4553      0.00000
    151       3.5640      0.00000
    152       3.6214      0.00000
    153       3.6678      0.00000
    154       3.7062      0.00000
    155       3.7905      0.00000
    156       3.9053      0.00000
    157       3.9449      0.00000
    158       4.0156      0.00000
    159       4.1561      0.00000
    160       4.2394      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3163      1.00000
      2     -21.9634      1.00000
      3     -21.8911      1.00000
      4     -21.3837      1.00000
      5     -21.3471      1.00000
      6     -20.8384      1.00000
      7     -20.7720      1.00000
      8     -20.6239      1.00000
      9     -20.0886      1.00000
     10     -20.0599      1.00000
     11     -19.7174      1.00000
     12     -19.6885      1.00000
     13     -19.0088      1.00000
     14     -18.9777      1.00000
     15     -18.6488      1.00000
     16     -18.6161      1.00000
     17     -18.4595      1.00000
     18     -17.6596      1.00000
     19     -17.6455      1.00000
     20     -17.6094      1.00000
     21     -17.5768      1.00000
     22     -17.1363      1.00000
     23     -17.0963      1.00000
     24     -16.9648      1.00000
     25     -16.0072      1.00000
     26     -15.9223      1.00000
     27     -15.5976      1.00000
     28     -15.5742      1.00000
     29     -15.2789      1.00000
     30     -14.8756      1.00000
     31     -14.8286      1.00000
     32     -14.5734      1.00000
     33     -14.5357      1.00000
     34     -14.1631      1.00000
     35     -14.1590      1.00000
     36     -13.1612      1.00000
     37     -13.0944      1.00000
     38     -13.0218      1.00000
     39     -13.0173      1.00000
     40     -12.7167      1.00000
     41     -12.6934      1.00000
     42     -12.3396      1.00000
     43     -12.3124      1.00000
     44     -11.6309      1.00000
     45     -11.6217      1.00000
     46     -11.5692      1.00000
     47     -10.9399      1.00000
     48     -10.9219      1.00000
     49     -10.6681      1.00000
     50     -10.5884      1.00000
     51     -10.5720      1.00000
     52     -10.5003      1.00000
     53     -10.4876      1.00000
     54     -10.4376      1.00000
     55     -10.3545      1.00000
     56     -10.1027      1.00000
     57      -9.8965      1.00000
     58      -9.6069      1.00000
     59      -9.5498      1.00000
     60      -9.4531      1.00000
     61      -9.4179      1.00000
     62      -9.4079      1.00000
     63      -9.3779      1.00000
     64      -9.3705      1.00000
     65      -9.2663      1.00000
     66      -9.1647      1.00000
     67      -9.1405      1.00000
     68      -9.1151      1.00000
     69      -8.8652      1.00000
     70      -8.8591      1.00000
     71      -8.8013      1.00000
     72      -8.5953      1.00000
     73      -8.5256      1.00000
     74      -8.1924      1.00000
     75      -8.1695      1.00000
     76      -8.0746      1.00000
     77      -7.8560      1.00000
     78      -7.8358      1.00000
     79      -7.8223      1.00000
     80      -7.7095      1.00000
     81      -7.6948      1.00000
     82      -7.5960      1.00000
     83      -7.5289      1.00000
     84      -7.3490      1.00000
     85      -7.1662      1.00000
     86      -6.9046      1.00000
     87      -6.8944      1.00000
     88      -6.5913      1.00000
     89      -6.5501      1.00000
     90      -6.4043      1.00000
     91      -6.3010      1.00000
     92      -6.2463      1.00000
     93      -6.2007      1.00000
     94      -6.0029      1.00000
     95      -5.5308      1.00000
     96      -5.4643      1.00000
     97      -5.3130      1.00000
     98      -5.2084      1.00000
     99      -5.0460      1.00000
    100      -4.7226      1.00000
    101      -4.6708      1.00000
    102      -4.4231      1.00000
    103      -4.1942      1.00000
    104      -3.8423      1.00000
    105      -3.6340      1.00000
    106      -3.4154      1.00000
    107      -2.2922      0.00000
    108      -1.5094      0.00000
    109      -1.2693      0.00000
    110      -1.2616      0.00000
    111      -1.0337      0.00000
    112      -0.9759      0.00000
    113      -0.8673      0.00000
    114      -0.7988      0.00000
    115      -0.2607      0.00000
    116       0.2046      0.00000
    117       0.2402      0.00000
    118       0.3619      0.00000
    119       0.7016      0.00000
    120       0.8959      0.00000
    121       0.9256      0.00000
    122       1.0492      0.00000
    123       1.1777      0.00000
    124       1.5188      0.00000
    125       1.5798      0.00000
    126       1.7185      0.00000
    127       1.7805      0.00000
    128       1.8289      0.00000
    129       1.9520      0.00000
    130       2.0077      0.00000
    131       2.1738      0.00000
    132       2.2832      0.00000
    133       2.4159      0.00000
    134       2.4358      0.00000
    135       2.4933      0.00000
    136       2.6030      0.00000
    137       2.6194      0.00000
    138       2.7135      0.00000
    139       2.7592      0.00000
    140       2.8799      0.00000
    141       3.0508      0.00000
    142       3.0880      0.00000
    143       3.1727      0.00000
    144       3.2208      0.00000
    145       3.2376      0.00000
    146       3.3025      0.00000
    147       3.3531      0.00000
    148       3.4621      0.00000
    149       3.5389      0.00000
    150       3.7023      0.00000
    151       3.7212      0.00000
    152       3.7567      0.00000
    153       3.8368      0.00000
    154       3.8859      0.00000
    155       3.9418      0.00000
    156       3.9806      0.00000
    157       3.9937      0.00000
    158       4.0224      0.00000
    159       4.0364      0.00000
    160       4.0839      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3885      1.00000
      2     -21.8297      1.00000
      3     -21.6404      1.00000
      4     -21.6054      1.00000
      5     -21.2777      1.00000
      6     -21.2307      1.00000
      7     -21.0553      1.00000
      8     -20.1704      1.00000
      9     -20.1242      1.00000
     10     -19.6163      1.00000
     11     -19.5895      1.00000
     12     -19.4144      1.00000
     13     -19.0937      1.00000
     14     -19.0550      1.00000
     15     -19.0506      1.00000
     16     -19.0373      1.00000
     17     -18.3660      1.00000
     18     -18.3457      1.00000
     19     -18.0153      1.00000
     20     -17.0712      1.00000
     21     -17.0224      1.00000
     22     -16.9486      1.00000
     23     -16.9346      1.00000
     24     -16.4737      1.00000
     25     -16.4622      1.00000
     26     -15.6087      1.00000
     27     -15.6082      1.00000
     28     -15.2492      1.00000
     29     -15.2365      1.00000
     30     -15.1897      1.00000
     31     -15.0999      1.00000
     32     -15.0664      1.00000
     33     -14.6977      1.00000
     34     -14.6963      1.00000
     35     -13.7244      1.00000
     36     -13.7238      1.00000
     37     -13.2334      1.00000
     38     -12.6230      1.00000
     39     -12.5783      1.00000
     40     -12.4532      1.00000
     41     -12.4475      1.00000
     42     -12.1047      1.00000
     43     -12.0992      1.00000
     44     -11.7212      1.00000
     45     -11.6826      1.00000
     46     -11.2446      1.00000
     47     -11.2234      1.00000
     48     -11.0160      1.00000
     49     -11.0041      1.00000
     50     -10.9270      1.00000
     51     -10.8985      1.00000
     52     -10.6361      1.00000
     53     -10.1706      1.00000
     54     -10.1477      1.00000
     55     -10.0825      1.00000
     56      -9.9910      1.00000
     57      -9.6949      1.00000
     58      -9.6887      1.00000
     59      -9.6692      1.00000
     60      -9.5905      1.00000
     61      -9.5670      1.00000
     62      -9.5525      1.00000
     63      -9.3111      1.00000
     64      -9.2983      1.00000
     65      -9.2819      1.00000
     66      -9.2429      1.00000
     67      -9.1209      1.00000
     68      -9.1106      1.00000
     69      -9.1092      1.00000
     70      -8.9383      1.00000
     71      -8.8753      1.00000
     72      -8.6043      1.00000
     73      -8.5862      1.00000
     74      -8.2700      1.00000
     75      -8.0990      1.00000
     76      -7.8677      1.00000
     77      -7.8424      1.00000
     78      -7.7894      1.00000
     79      -7.7633      1.00000
     80      -7.7537      1.00000
     81      -7.4463      1.00000
     82      -7.3331      1.00000
     83      -7.3208      1.00000
     84      -7.2648      1.00000
     85      -7.1612      1.00000
     86      -7.0153      1.00000
     87      -6.9849      1.00000
     88      -6.7163      1.00000
     89      -6.6894      1.00000
     90      -6.6305      1.00000
     91      -6.5891      1.00000
     92      -6.1151      1.00000
     93      -6.0585      1.00000
     94      -6.0434      1.00000
     95      -6.0284      1.00000
     96      -5.7469      1.00000
     97      -4.9739      1.00000
     98      -4.8386      1.00000
     99      -4.7079      1.00000
    100      -4.6727      1.00000
    101      -4.4829      1.00000
    102      -4.3519      1.00000
    103      -4.1107      1.00000
    104      -4.0548      1.00000
    105      -3.7543      1.00000
    106      -3.4650      1.00000
    107      -1.9513      0.00000
    108      -1.7704      0.00000
    109      -1.4792      0.00000
    110      -1.3549      0.00000
    111      -1.3347      0.00000
    112      -1.2909      0.00000
    113      -0.6770      0.00000
    114      -0.4711      0.00000
    115      -0.2355      0.00000
    116       0.0531      0.00000
    117       0.5997      0.00000
    118       0.6922      0.00000
    119       0.7711      0.00000
    120       1.0257      0.00000
    121       1.0979      0.00000
    122       1.1812      0.00000
    123       1.2550      0.00000
    124       1.3441      0.00000
    125       1.4480      0.00000
    126       1.6176      0.00000
    127       1.7459      0.00000
    128       1.8474      0.00000
    129       1.8566      0.00000
    130       1.8942      0.00000
    131       2.0416      0.00000
    132       2.2279      0.00000
    133       2.2531      0.00000
    134       2.3067      0.00000
    135       2.4854      0.00000
    136       2.5983      0.00000
    137       2.6421      0.00000
    138       2.7777      0.00000
    139       2.7820      0.00000
    140       2.8266      0.00000
    141       2.8395      0.00000
    142       2.8517      0.00000
    143       2.9229      0.00000
    144       3.1122      0.00000
    145       3.3172      0.00000
    146       3.3363      0.00000
    147       3.3776      0.00000
    148       3.4057      0.00000
    149       3.4266      0.00000
    150       3.5853      0.00000
    151       3.6271      0.00000
    152       3.6779      0.00000
    153       3.7387      0.00000
    154       3.9024      0.00000
    155       3.9355      0.00000
    156       3.9531      0.00000
    157       4.1076      0.00000
    158       4.2127      0.00000
    159       4.2581      0.00000
    160       4.2866      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2087      1.00000
      2     -22.1178      1.00000
      3     -21.9555      1.00000
      4     -21.4036      1.00000
      5     -21.0449      1.00000
      6     -21.0166      1.00000
      7     -20.4948      1.00000
      8     -20.4650      1.00000
      9     -20.2849      1.00000
     10     -20.2830      1.00000
     11     -19.9556      1.00000
     12     -19.8925      1.00000
     13     -18.8824      1.00000
     14     -18.8148      1.00000
     15     -18.3366      1.00000
     16     -18.3171      1.00000
     17     -18.1480      1.00000
     18     -18.1403      1.00000
     19     -17.8146      1.00000
     20     -17.7963      1.00000
     21     -17.2570      1.00000
     22     -17.2375      1.00000
     23     -17.1590      1.00000
     24     -17.1346      1.00000
     25     -16.1145      1.00000
     26     -15.8797      1.00000
     27     -15.8686      1.00000
     28     -15.8393      1.00000
     29     -15.2299      1.00000
     30     -14.5501      1.00000
     31     -14.5318      1.00000
     32     -14.2748      1.00000
     33     -13.9733      1.00000
     34     -13.9495      1.00000
     35     -13.8231      1.00000
     36     -13.8011      1.00000
     37     -13.6032      1.00000
     38     -13.5777      1.00000
     39     -13.3686      1.00000
     40     -12.6369      1.00000
     41     -12.1682      1.00000
     42     -12.1416      1.00000
     43     -12.0674      1.00000
     44     -12.0204      1.00000
     45     -11.6629      1.00000
     46     -11.6583      1.00000
     47     -11.1359      1.00000
     48     -11.1250      1.00000
     49     -10.7902      1.00000
     50     -10.7338      1.00000
     51     -10.5349      1.00000
     52     -10.2066      1.00000
     53     -10.2006      1.00000
     54     -10.1691      1.00000
     55     -10.0212      1.00000
     56      -9.9928      1.00000
     57      -9.9884      1.00000
     58      -9.8035      1.00000
     59      -9.7942      1.00000
     60      -9.7631      1.00000
     61      -9.7558      1.00000
     62      -9.4543      1.00000
     63      -9.4163      1.00000
     64      -9.0831      1.00000
     65      -9.0442      1.00000
     66      -9.0242      1.00000
     67      -8.9697      1.00000
     68      -8.8967      1.00000
     69      -8.7064      1.00000
     70      -8.6974      1.00000
     71      -8.5600      1.00000
     72      -8.5493      1.00000
     73      -8.4767      1.00000
     74      -8.4585      1.00000
     75      -8.4556      1.00000
     76      -8.3075      1.00000
     77      -8.0939      1.00000
     78      -8.0880      1.00000
     79      -7.9244      1.00000
     80      -7.8304      1.00000
     81      -7.5997      1.00000
     82      -7.5373      1.00000
     83      -7.4417      1.00000
     84      -7.3132      1.00000
     85      -6.9915      1.00000
     86      -6.9171      1.00000
     87      -6.8797      1.00000
     88      -6.5281      1.00000
     89      -6.5140      1.00000
     90      -6.4805      1.00000
     91      -6.4194      1.00000
     92      -5.9258      1.00000
     93      -5.9044      1.00000
     94      -5.7878      1.00000
     95      -5.7736      1.00000
     96      -5.3686      1.00000
     97      -5.3617      1.00000
     98      -5.2195      1.00000
     99      -5.2143      1.00000
    100      -5.1974      1.00000
    101      -4.7195      1.00000
    102      -4.4417      1.00000
    103      -4.1903      1.00000
    104      -3.8200      1.00000
    105      -3.5654      1.00000
    106      -3.2201      1.00000
    107      -2.5624      0.00000
    108      -1.4634      0.00000
    109      -1.2652      0.00000
    110      -1.1849      0.00000
    111      -1.1833      0.00000
    112      -0.6442      0.00000
    113      -0.5504      0.00000
    114      -0.4143      0.00000
    115      -0.3468      0.00000
    116      -0.0763      0.00000
    117      -0.0619      0.00000
    118       0.1278      0.00000
    119       0.5933      0.00000
    120       0.6280      0.00000
    121       0.8665      0.00000
    122       0.9979      0.00000
    123       1.0130      0.00000
    124       1.5031      0.00000
    125       1.6957      0.00000
    126       1.7946      0.00000
    127       1.8793      0.00000
    128       2.0993      0.00000
    129       2.1288      0.00000
    130       2.1777      0.00000
    131       2.2108      0.00000
    132       2.2499      0.00000
    133       2.3317      0.00000
    134       2.4888      0.00000
    135       2.5057      0.00000
    136       2.6797      0.00000
    137       2.8537      0.00000
    138       2.8626      0.00000
    139       2.9654      0.00000
    140       3.0022      0.00000
    141       3.0452      0.00000
    142       3.1479      0.00000
    143       3.1549      0.00000
    144       3.2522      0.00000
    145       3.2542      0.00000
    146       3.2839      0.00000
    147       3.3126      0.00000
    148       3.3651      0.00000
    149       3.4304      0.00000
    150       3.5618      0.00000
    151       3.5755      0.00000
    152       3.6556      0.00000
    153       3.6562      0.00000
    154       3.6733      0.00000
    155       3.7076      0.00000
    156       3.9086      0.00000
    157       3.9624      0.00000
    158       4.0502      0.00000
    159       4.1004      0.00000
    160       4.2046      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2821      1.00000
      2     -22.0775      1.00000
      3     -21.7192      1.00000
      4     -21.6800      1.00000
      5     -20.9817      1.00000
      6     -20.9339      1.00000
      7     -20.6101      1.00000
      8     -20.5780      1.00000
      9     -20.5645      1.00000
     10     -20.0310      1.00000
     11     -19.5127      1.00000
     12     -19.4821      1.00000
     13     -19.3106      1.00000
     14     -19.2971      1.00000
     15     -18.4484      1.00000
     16     -18.4052      1.00000
     17     -17.9267      1.00000
     18     -17.9059      1.00000
     19     -17.7647      1.00000
     20     -17.7197      1.00000
     21     -17.4407      1.00000
     22     -17.4218      1.00000
     23     -17.3369      1.00000
     24     -16.4698      1.00000
     25     -16.4601      1.00000
     26     -15.9685      1.00000
     27     -15.4103      1.00000
     28     -15.4091      1.00000
     29     -15.0950      1.00000
     30     -15.0922      1.00000
     31     -14.8525      1.00000
     32     -14.8395      1.00000
     33     -14.2963      1.00000
     34     -14.2521      1.00000
     35     -13.4428      1.00000
     36     -13.3985      1.00000
     37     -13.1745      1.00000
     38     -13.1726      1.00000
     39     -12.9839      1.00000
     40     -12.9747      1.00000
     41     -12.6102      1.00000
     42     -12.6076      1.00000
     43     -12.1948      1.00000
     44     -11.5791      1.00000
     45     -11.5380      1.00000
     46     -11.3129      1.00000
     47     -11.2826      1.00000
     48     -11.1400      1.00000
     49     -10.6919      1.00000
     50     -10.6620      1.00000
     51     -10.5462      1.00000
     52     -10.3206      1.00000
     53     -10.3127      1.00000
     54     -10.1744      1.00000
     55     -10.1204      1.00000
     56     -10.1074      1.00000
     57      -9.8101      1.00000
     58      -9.7506      1.00000
     59      -9.7505      1.00000
     60      -9.7001      1.00000
     61      -9.6967      1.00000
     62      -9.6454      1.00000
     63      -9.3507      1.00000
     64      -9.3495      1.00000
     65      -9.3179      1.00000
     66      -9.0268      1.00000
     67      -8.9599      1.00000
     68      -8.9564      1.00000
     69      -8.7741      1.00000
     70      -8.5918      1.00000
     71      -8.5872      1.00000
     72      -8.4226      1.00000
     73      -8.3483      1.00000
     74      -8.3217      1.00000
     75      -8.3012      1.00000
     76      -8.2648      1.00000
     77      -8.2541      1.00000
     78      -8.2390      1.00000
     79      -7.9201      1.00000
     80      -7.7326      1.00000
     81      -7.3776      1.00000
     82      -7.3473      1.00000
     83      -7.3224      1.00000
     84      -7.2149      1.00000
     85      -7.1589      1.00000
     86      -7.0639      1.00000
     87      -6.9593      1.00000
     88      -6.9039      1.00000
     89      -6.6140      1.00000
     90      -6.5540      1.00000
     91      -6.2717      1.00000
     92      -5.9953      1.00000
     93      -5.9585      1.00000
     94      -5.6741      1.00000
     95      -5.6475      1.00000
     96      -5.3863      1.00000
     97      -5.3143      1.00000
     98      -5.2929      1.00000
     99      -5.2108      1.00000
    100      -5.1991      1.00000
    101      -4.5109      1.00000
    102      -4.3386      1.00000
    103      -3.9954      1.00000
    104      -3.8852      1.00000
    105      -3.7922      1.00000
    106      -3.4427      1.00000
    107      -2.0352      0.00000
    108      -1.8625      0.00000
    109      -1.2173      0.00000
    110      -1.1820      0.00000
    111      -1.0356      0.00000
    112      -0.7719      0.00000
    113      -0.6762      0.00000
    114      -0.6596      0.00000
    115      -0.6084      0.00000
    116      -0.1002      0.00000
    117       0.2238      0.00000
    118       0.2417      0.00000
    119       0.7820      0.00000
    120       0.9945      0.00000
    121       1.0763      0.00000
    122       1.2447      0.00000
    123       1.2539      0.00000
    124       1.3514      0.00000
    125       1.5841      0.00000
    126       1.5854      0.00000
    127       1.7238      0.00000
    128       1.7976      0.00000
    129       1.9623      0.00000
    130       1.9867      0.00000
    131       2.0484      0.00000
    132       2.2579      0.00000
    133       2.3428      0.00000
    134       2.4327      0.00000
    135       2.5588      0.00000
    136       2.6368      0.00000
    137       2.7230      0.00000
    138       2.7919      0.00000
    139       2.8568      0.00000
    140       2.8683      0.00000
    141       3.0453      0.00000
    142       3.1135      0.00000
    143       3.1729      0.00000
    144       3.2285      0.00000
    145       3.3794      0.00000
    146       3.4210      0.00000
    147       3.5141      0.00000
    148       3.5573      0.00000
    149       3.5938      0.00000
    150       3.6103      0.00000
    151       3.6580      0.00000
    152       3.7443      0.00000
    153       3.7562      0.00000
    154       3.7618      0.00000
    155       3.7739      0.00000
    156       3.8789      0.00000
    157       4.0237      0.00000
    158       4.1010      0.00000
    159       4.1815      0.00000
    160       4.2259      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0424   -7.3899    4.1986   -1.2758   -0.2386   17.5933    0.1478   -0.5326    0.6340   -0.4649
x    -3.0921   -0.0374   -0.0631    0.0617   -0.0091   -2.9774   -0.0110   -0.0070    0.0049    0.0016
x    -0.0965    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0424    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0942   -0.0088    0.0374    0.0376
y    -0.0457   -3.2474   -0.5378   -0.1638   -1.1793   -0.6053
z   204.0424    1.1245   -0.2802    0.0407    0.0091    0.0617    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0777    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1563
z    -0.2836    0.1869   -0.0387    0.0472   -0.1052    0.0013
 total charge-density along one line
x   212.0000  -10.2202    6.1466   -2.0857   -0.4744   19.5101   -0.9955    0.4741   -0.0447   -0.1262
x    -2.6451   -0.0277   -0.0610    0.0846   -0.0532   -2.2246   -0.0250   -0.0026    0.0052    0.0021
x    -0.0895    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2202    6.1466   -2.0857   -0.4744   19.5101   -0.9955    0.4741   -0.0447   -0.1262
y    -2.6451   -0.0277   -0.0610    0.0846   -0.0532   -2.2246   -0.0250   -0.0026    0.0052    0.0021
y    -0.0895    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4943  189.2969 -170.3697  153.6447 -139.4222  125.4124 -110.0976   93.9533  -78.3430
z    64.1374  -51.4877   40.4237  -31.2178   24.1201  -18.9367   15.0242  -11.7137    8.7119   -6.1190
z     4.1295   -2.7578    1.8206   -1.1103    0.5393   -0.1266   -0.1116    0.2281   -0.3093    0.3999
z    -0.4765    0.4933   -0.4402    0.3552   -0.2862    0.2512   -0.2333    0.2086   -0.1709    0.1317
z    -0.1037    0.0880   -0.0768    0.0637   -0.0491    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0001   -0.0001    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0000    0.0000   -0.0001    0.0001   -0.0001    0.0000
z     0.0000   -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.031   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.158   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.415   0.000   0.077   0.585  -0.239   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.379   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.368  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.031   0.000   0.010   0.082   0.000  -0.239   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.264   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.262   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.645
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.645
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.647
 40        0.863   1.785   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.867  89.426   8.029 142.322
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time   90.14: CPU time   45.44
    FORLOC:  VPU time    1.10: CPU time    1.09
    FORNL :  VPU time  361.93: CPU time  181.33
    STRESS:  VPU time 1089.18: CPU time  547.19
    FORCOR:  VPU time    7.42: CPU time    7.42
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.13: CPU time    0.14
 d Force = 0.5115914E-06[ 0.482E-06, 0.541E-06]  d Energy =-0.6076552E-06 0.112E-05
 d Force =-0.3093236E-01[-0.309E-01,-0.309E-01]  d Ewald  = 0.8998396E+00-0.931E+00


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726373 eV

  energy  without entropy=     -471.726373  energy(sigma->0) =     -471.726373
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40840.22  40795.29 -47538.92    -38.92      0.00      0.00
  Hartree  40264.79  40245.76 -39523.53    -16.48      0.00      0.00
  E(xc)     -779.44   -779.73   -807.37     -0.25      0.00      0.00
  Local   -83389.11 -83334.05  84377.22     47.68      0.00      0.00
  n-local   -216.81   -215.67   -203.37      0.71      0.00      0.00
  augment     20.06     22.05     17.81      1.72      0.00      0.00
  Kinetic   3162.46   3176.00   3583.94      3.38      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.17     -0.17     -0.28      0.00      0.00      0.00
  in kB       -0.10     -0.10     -0.17      0.00      0.00      0.00
  external pressure =       -0.13 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345664645  0.001014417  0.000000000     0.080996253  0.046754402  0.000000000
    -6.171960454 10.692162496  0.000000000    -0.000007685  0.093522014  0.000000000
     0.000000000  0.000000000 19.984088433     0.000000000  0.000000000  0.050039811

  length of vectors
    12.345664687 12.345664611 19.984088433     0.093522014  0.093522014  0.050039811


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.474E-05 -.490E-04 -.952E+03   0.450E-05 -.278E-04 0.960E+03   0.339E-20 0.170E-20 -.868E+01   -.165E-07 0.109E-07 -.545E-02
   0.322E+02 -.186E+02 -.135E+03   -.337E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   0.269E-04 -.163E-04 -.555E-03
   -.322E+02 0.186E+02 -.135E+03   0.337E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   -.269E-04 0.163E-04 -.555E-03
   -.209E+01 0.121E+01 0.163E+02   0.210E+01 -.121E+01 -.163E+02   -.257E-02 0.148E-02 -.240E-01   -.398E-03 0.227E-03 0.264E-03
   0.619E+01 0.679E+01 0.194E+02   -.619E+01 -.681E+01 -.193E+02   0.504E-03 0.240E-01 -.273E-01   0.104E-03 -.390E-03 0.276E-03
   0.112E+02 0.512E+01 0.161E+02   -.112E+02 -.513E+01 -.161E+02   0.224E-01 0.551E-02 -.482E-01   -.334E-04 0.284E-03 0.200E-03
   0.472E+01 -.884E+00 0.126E+02   -.473E+01 0.891E+00 -.125E+02   0.163E-01 -.901E-02 -.183E-01   -.127E-03 0.581E-04 0.677E-04
   -.309E+01 -.251E+01 0.126E+02   0.310E+01 0.251E+01 -.126E+02   0.261E-02 0.595E-03 -.130E-01   -.223E-03 0.169E-03 0.177E-03
   0.631E+00 0.394E+01 0.126E+02   -.625E+00 -.394E+01 -.126E+02   0.792E-03 -.256E-02 -.130E-01   -.263E-03 0.103E-03 0.174E-03
   0.244E+01 0.189E+02 0.240E+02   -.244E+01 -.190E+02 -.240E+02   -.113E-02 0.101E+00 -.484E-01   0.140E-03 0.595E-03 0.280E-03
   0.226E+02 0.214E+02 0.422E+02   -.227E+02 -.217E+02 -.422E+02   0.840E-01 0.260E+00 -.608E-01   -.719E-03 0.297E-03 0.320E-03
   0.268E+02 -.345E+01 0.257E+02   -.271E+02 0.356E+01 -.256E+02   0.267E+00 -.110E+00 -.334E-01   0.984E-04 -.765E-04 0.250E-03
   0.916E+01 -.529E+01 0.136E+02   -.920E+01 0.531E+01 -.136E+02   0.426E-01 -.246E-01 -.118E-01   -.809E-05 -.175E-05 0.210E-03
   0.312E+01 -.364E+01 0.126E+02   -.314E+01 0.365E+01 -.125E+02   0.160E-01 -.962E-02 -.183E-01   -.116E-03 0.765E-04 0.601E-04
   -.594E+01 0.136E+02 0.161E+02   0.595E+01 -.137E+02 -.161E+02   0.119E-03 0.723E-01 -.517E-01   -.336E-03 -.285E-04 0.169E-03
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.280E-01 0.613E+00 0.294E+00   -.129E-03 -.145E-03 0.197E-03
   0.237E+02 -.137E+02 0.941E+02   -.243E+02 0.140E+02 -.962E+02   0.640E+00 -.370E+00 0.205E+01   -.158E-03 0.884E-04 0.137E-03
   0.164E+02 -.215E+02 0.257E+02   -.166E+02 0.217E+02 -.256E+02   0.228E+00 -.176E+00 -.334E-01   0.113E-03 -.548E-04 0.245E-03
   0.116E+01 -.123E+02 0.161E+02   -.116E+01 0.123E+02 -.161E+02   0.641E-02 -.221E-01 -.482E-01   -.260E-03 -.114E-03 0.195E-03
   -.416E+01 0.193E+01 0.116E+02   0.417E+01 -.194E+01 -.116E+02   0.176E-02 0.828E-02 -.439E-01   -.237E-03 0.110E-03 0.138E-03
   -.193E+02 0.111E+02 0.218E+02   0.193E+02 -.112E+02 -.217E+02   -.527E-01 0.304E-01 -.427E-01   -.693E-04 0.438E-04 0.301E-03
   -.373E+02 -.786E+01 0.478E+02   0.378E+02 0.814E+01 -.481E+02   -.545E+00 -.282E+00 0.294E+00   0.644E-04 0.184E-03 0.199E-03
   -.724E+01 -.303E+02 0.422E+02   0.743E+01 0.305E+02 -.422E+02   -.183E+00 -.203E+00 -.608E-01   -.614E-03 0.470E-03 0.318E-03
   -.279E+01 -.876E+01 0.194E+02   0.280E+01 0.877E+01 -.193E+02   -.205E-01 -.124E-01 -.273E-01   0.392E-03 0.103E-03 0.275E-03
   0.137E+01 -.788E+00 0.135E+02   -.136E+01 0.787E+00 -.134E+02   0.469E-02 -.271E-02 -.178E-01   -.257E-03 0.150E-03 0.219E-03
   -.375E+01 0.264E+01 0.116E+02   0.376E+01 -.264E+01 -.116E+02   -.629E-02 -.566E-02 -.439E-01   -.212E-03 0.155E-03 0.142E-03
   -.148E+02 -.166E+01 0.161E+02   0.148E+02 0.169E+01 -.161E+02   -.626E-01 -.363E-01 -.517E-01   -.142E-03 0.304E-03 0.176E-03
   -.152E+02 -.116E+02 0.240E+02   0.153E+02 0.116E+02 -.240E+02   -.878E-01 -.494E-01 -.484E-01   -.444E-03 -.424E-03 0.282E-03
   0.279E+01 0.876E+01 0.194E+02   -.280E+01 -.877E+01 -.193E+02   0.205E-01 0.124E-01 -.273E-01   -.392E-03 -.103E-03 0.275E-03
   0.152E+02 0.116E+02 0.240E+02   -.153E+02 -.116E+02 -.240E+02   0.878E-01 0.494E-01 -.484E-01   0.444E-03 0.424E-03 0.282E-03
   0.148E+02 0.166E+01 0.161E+02   -.148E+02 -.169E+01 -.161E+02   0.626E-01 0.363E-01 -.517E-01   0.142E-03 -.304E-03 0.176E-03
   0.375E+01 -.264E+01 0.116E+02   -.376E+01 0.264E+01 -.116E+02   0.629E-02 0.566E-02 -.439E-01   0.212E-03 -.155E-03 0.142E-03
   -.137E+01 0.789E+00 0.135E+02   0.136E+01 -.787E+00 -.134E+02   -.469E-02 0.271E-02 -.178E-01   0.257E-03 -.150E-03 0.219E-03
   -.116E+01 0.123E+02 0.161E+02   0.116E+01 -.123E+02 -.161E+02   -.641E-02 0.221E-01 -.482E-01   0.260E-03 0.114E-03 0.195E-03
   0.724E+01 0.303E+02 0.422E+02   -.743E+01 -.305E+02 -.422E+02   0.183E+00 0.203E+00 -.608E-01   0.614E-03 -.470E-03 0.318E-03
   0.373E+02 0.786E+01 0.478E+02   -.378E+02 -.814E+01 -.481E+02   0.545E+00 0.282E+00 0.294E+00   -.644E-04 -.184E-03 0.199E-03
   0.193E+02 -.111E+02 0.218E+02   -.193E+02 0.112E+02 -.217E+02   0.527E-01 -.304E-01 -.427E-01   0.694E-04 -.438E-04 0.301E-03
   0.416E+01 -.193E+01 0.116E+02   -.417E+01 0.194E+01 -.116E+02   -.176E-02 -.828E-02 -.439E-01   0.237E-03 -.110E-03 0.138E-03
   -.312E+01 0.364E+01 0.126E+02   0.314E+01 -.365E+01 -.125E+02   -.160E-01 0.962E-02 -.183E-01   0.116E-03 -.765E-04 0.601E-04
   -.164E+02 0.215E+02 0.257E+02   0.166E+02 -.217E+02 -.256E+02   -.228E+00 0.176E+00 -.334E-01   -.113E-03 0.548E-04 0.245E-03
   -.237E+02 0.137E+02 0.941E+02   0.243E+02 -.140E+02 -.962E+02   -.640E+00 0.370E+00 0.205E+01   0.158E-03 -.884E-04 0.137E-03
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.280E-01 -.613E+00 0.294E+00   0.129E-03 0.145E-03 0.197E-03
   0.594E+01 -.136E+02 0.161E+02   -.595E+01 0.137E+02 -.161E+02   -.119E-03 -.723E-01 -.517E-01   0.336E-03 0.285E-04 0.169E-03
   -.631E+00 -.394E+01 0.126E+02   0.625E+00 0.394E+01 -.126E+02   -.792E-03 0.256E-02 -.130E-01   0.263E-03 -.103E-03 0.174E-03
   -.916E+01 0.529E+01 0.136E+02   0.920E+01 -.531E+01 -.136E+02   -.426E-01 0.246E-01 -.118E-01   0.809E-05 0.175E-05 0.210E-03
   -.268E+02 0.345E+01 0.257E+02   0.271E+02 -.356E+01 -.256E+02   -.267E+00 0.110E+00 -.334E-01   -.984E-04 0.765E-04 0.250E-03
   -.226E+02 -.214E+02 0.422E+02   0.227E+02 0.217E+02 -.422E+02   -.840E-01 -.260E+00 -.608E-01   0.719E-03 -.297E-03 0.320E-03
   -.244E+01 -.189E+02 0.240E+02   0.244E+01 0.190E+02 -.240E+02   0.113E-02 -.101E+00 -.484E-01   -.140E-03 -.595E-03 0.280E-03
   0.209E+01 -.121E+01 0.163E+02   -.210E+01 0.121E+01 -.163E+02   0.257E-02 -.148E-02 -.240E-01   0.398E-03 -.227E-03 0.264E-03
   0.309E+01 0.251E+01 0.126E+02   -.310E+01 -.251E+01 -.126E+02   -.261E-02 -.595E-03 -.130E-01   0.223E-03 -.169E-03 0.177E-03
   -.472E+01 0.884E+00 0.126E+02   0.473E+01 -.891E+00 -.125E+02   -.163E-01 0.901E-02 -.183E-01   0.127E-03 -.581E-04 0.677E-04
   -.112E+02 -.512E+01 0.161E+02   0.112E+02 0.513E+01 -.161E+02   -.224E-01 -.551E-02 -.482E-01   0.334E-04 -.284E-03 0.200E-03
   -.619E+01 -.679E+01 0.194E+02   0.619E+01 0.681E+01 -.193E+02   -.504E-03 -.240E-01 -.273E-01   -.104E-03 0.390E-03 0.276E-03
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.293E-03 0.100E+02   -.338E-12 -.835E-13 0.185E-12   0.963E-16 -.382E-16 -.100E+02   -.157E-07 0.116E-07 0.398E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85234      6.05933     12.26241         0.000000      0.000000      0.026241
      1.07514      6.50805     13.52204         0.002934     -0.001694      0.007701
      2.62954      5.61061     13.52204        -0.002934      0.001694      0.007701
      0.00009     -0.00005      9.90965         0.002956     -0.001706      0.000465
     -1.23471      2.13686      9.90833        -0.002324      0.007333      0.000141
     -2.47003      4.27666      9.92834         0.003833     -0.004280     -0.000467
     -3.70366      6.41542      9.93611         0.001718     -0.001771     -0.001504
     -4.93741      8.55378      9.92660         0.005278     -0.004268     -0.000233
      2.46917      0.00004      9.92660         0.006336     -0.002437     -0.000233
      1.23402      2.13691      9.91790        -0.000753     -0.008027     -0.001050
     -0.00277      4.27107      9.93049         0.014846     -0.004666     -0.002573
     -1.23816      6.41605      9.95250        -0.004082      0.000257     -0.000754
     -2.46875      8.55412      9.93786        -0.001174      0.000678      0.000912
      4.93792      0.00077      9.93611         0.002393     -0.000602     -0.001504
      3.70425      2.13689      9.93935         0.003623      0.003407     -0.000851
      2.46998      4.26877      9.96710         0.003221      0.001388     -0.003548
      1.22923      6.41909      9.97327         0.003001     -0.001732     -0.000791
     -0.00184      8.55743      9.95250        -0.002263      0.003407     -0.000754
      7.40696      0.00179      9.92834         0.005623     -0.001180     -0.000467
      6.17266      2.13916      9.93466         0.004390     -0.002835     -0.000456
      4.93925      4.27711      9.94732        -0.003564      0.002058      0.000715
      3.71184      6.41972      9.96710         0.000409     -0.003483     -0.003548
      2.47347      8.56004      9.93049         0.011464     -0.010524     -0.002573
      9.87773      0.00187      9.90833        -0.007513     -0.001654      0.000141
      8.64191      2.13938      9.91951         0.007090     -0.004093      0.000468
      7.40748      4.27792      9.93466         0.004650     -0.002384     -0.000456
      6.17523      6.41676      9.93935        -0.001139     -0.004841     -0.000851
      4.94010      8.55603      9.91790         0.006575      0.004666     -0.001050
     -0.00108      1.42463      9.90833         0.007513      0.001654      0.000141
     -1.23541      3.56263      9.91790        -0.006575     -0.004666     -0.001050
     -2.47054      5.70190      9.93935         0.001139      0.004841     -0.000851
     -3.70279      7.84074      9.93466        -0.004650      0.002384     -0.000456
     -4.93722      9.97929      9.91951        -0.007090      0.004093      0.000468
      2.46969      1.42471      9.92834        -0.005623      0.001180     -0.000467
      1.23122      3.55862      9.93049        -0.011464      0.010524     -0.002573
     -0.00715      5.69894      9.96710        -0.000409      0.003483     -0.003548
     -1.23456      7.84156      9.94732         0.003564     -0.002058      0.000715
     -2.46797      9.97951      9.93466        -0.004390      0.002835     -0.000456
      4.93873      1.42573      9.93611        -0.002393      0.000602     -0.001504
      3.70653      3.56124      9.95250         0.002263     -0.003407     -0.000754
      2.47546      5.69958      9.97327        -0.003001      0.001732     -0.000791
      1.23470      7.84990      9.96710        -0.003221     -0.001388     -0.003548
      0.00044      9.98177      9.93935        -0.003623     -0.003407     -0.000851
      7.40748      1.42646      9.92660        -0.006336      0.002437     -0.000233
      6.17344      3.56455      9.93786         0.001174     -0.000678      0.000912
      4.94285      5.70261      9.95250         0.004082     -0.000257     -0.000754
      3.70746      7.84759      9.93049        -0.014846      0.004666     -0.002573
      2.47067      9.98175      9.91790         0.000753      0.008027     -0.001050
      9.87656      1.42655      9.90965        -0.002956      0.001706      0.000465
      8.64210      3.56489      9.92660        -0.005278      0.004268     -0.000233
      7.40835      5.70325      9.93611        -0.001718      0.001771     -0.001504
      6.17471      7.84200      9.92834        -0.003833      0.004280     -0.000467
      4.93940      9.98180      9.90833         0.002324     -0.007333      0.000141
 -----------------------------------------------------------------------------------
    total drift:                               -0.001807      0.000293      0.008079


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.67: CPU time    1.68
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.19: CPU time    1.18
    ORTHCH:  VPU time  150.35: CPU time   75.23
     LOOP+:  VPU time 4136.45: CPU time 2110.77


----------------------------------------- Iteration   20(   1)  ---------------------------------------


    POTLOK:  VPU time    7.86: CPU time    7.74
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1116.48: CPU time  569.81
 BZINTS: Fermi energy: -3.205763;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.17: CPU time   47.47
    MIXING:  VPU time    0.12: CPU time    0.13
    ------------------------------------------
      LOOP:  VPU time 1214.96: CPU time  625.46

 eigenvalue-minimisations  :  4080
 total energy-change (2. order) :-0.4717264E+03  (-0.1379294E-05)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9576266 magnetization    0.0000011

 Broyden mixing:
  rms(total) = 0.23564E-03    rms(broyden)= 0.23563E-03
  rms(prec ) = 0.29279E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34096.15615170
  -1/2 Hartree   DENC   =    -40986.93629471
  -V(xc)+E(xc)   XCENC  =       726.58255824
  PAW double counting   =      4093.67622789    -4132.02269572
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.62217474
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72637375 eV

  energy without entropy =     -471.72637375  energy(sigma->0) =     -471.72637375


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   20(   2)  ---------------------------------------


    POTLOK:  VPU time    7.74: CPU time    7.74
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1143.11: CPU time  583.23
 BZINTS: Fermi energy: -3.206103;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1151.20: CPU time  591.28

 eigenvalue-minimisations  :  4224
 total energy-change (2. order) : 0.7974868E-06  (-0.6053693E-06)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9576266 magnetization    0.0000011

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34096.15615170
  -1/2 Hartree   DENC   =    -40986.88683681
  -V(xc)+E(xc)   XCENC  =       726.58153255
  PAW double counting   =      4093.66092983    -4132.00744038
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.67056344
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72637295 eV

  energy without entropy =     -471.72637295  energy(sigma->0) =     -471.72637295


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2182       2 -39.5344       3 -39.5345       4 -58.3135       5 -58.3174
       6 -58.3198       7 -58.3144       8 -58.3148       9 -58.3148      10 -58.3212
      11 -58.3874      12 -58.3512      13 -58.3227      14 -58.3144      15 -58.3242
      16 -58.5426      17 -58.7297      18 -58.3513      19 -58.3198      20 -58.3196
      21 -58.3574      22 -58.5426      23 -58.3875      24 -58.3174      25 -58.3227
      26 -58.3196      27 -58.3242      28 -58.3212      29 -58.3173      30 -58.3211
      31 -58.3241      32 -58.3195      33 -58.3226      34 -58.3197      35 -58.3873
      36 -58.5425      37 -58.3574      38 -58.3195      39 -58.3143      40 -58.3511
      41 -58.7296      42 -58.5425      43 -58.3241      44 -58.3147      45 -58.3226
      46 -58.3511      47 -58.3874      48 -58.3211      49 -58.3133      50 -58.3147
      51 -58.3143      52 -58.3197      53 -58.3173
 
 
 
 E-fermi :  -3.2061     XC(G=0):  -2.3413     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4255      1.00000
      2     -21.6024      1.00000
      3     -21.4806      1.00000
      4     -21.4716      1.00000
      5     -21.4399      1.00000
      6     -21.4392      1.00000
      7     -21.4289      1.00000
      8     -19.7068      1.00000
      9     -19.6517      1.00000
     10     -19.6284      1.00000
     11     -19.6176      1.00000
     12     -19.6125      1.00000
     13     -19.6108      1.00000
     14     -18.7894      1.00000
     15     -18.7535      1.00000
     16     -18.7338      1.00000
     17     -18.7244      1.00000
     18     -18.7169      1.00000
     19     -18.7124      1.00000
     20     -16.6340      1.00000
     21     -16.6081      1.00000
     22     -16.5840      1.00000
     23     -16.5808      1.00000
     24     -16.5534      1.00000
     25     -16.5520      1.00000
     26     -15.6133      1.00000
     27     -15.6021      1.00000
     28     -15.5983      1.00000
     29     -15.5636      1.00000
     30     -15.5621      1.00000
     31     -15.5599      1.00000
     32     -14.2586      1.00000
     33     -14.2493      1.00000
     34     -14.2403      1.00000
     35     -14.2354      1.00000
     36     -14.2210      1.00000
     37     -14.2184      1.00000
     38     -11.9052      1.00000
     39     -11.8785      1.00000
     40     -11.8680      1.00000
     41     -11.8642      1.00000
     42     -11.8436      1.00000
     43     -11.8436      1.00000
     44     -11.7699      1.00000
     45     -11.7680      1.00000
     46     -11.7340      1.00000
     47     -11.7277      1.00000
     48     -11.7248      1.00000
     49     -11.7211      1.00000
     50     -10.6753      1.00000
     51     -10.3871      1.00000
     52     -10.3832      1.00000
     53     -10.3759      1.00000
     54     -10.3671      1.00000
     55     -10.3552      1.00000
     56     -10.3525      1.00000
     57      -9.9033      1.00000
     58      -9.4496      1.00000
     59      -9.4044      1.00000
     60      -9.3614      1.00000
     61      -9.3608      1.00000
     62      -9.3528      1.00000
     63      -9.1410      1.00000
     64      -9.1226      1.00000
     65      -9.1199      1.00000
     66      -9.0848      1.00000
     67      -9.0704      1.00000
     68      -9.0695      1.00000
     69      -9.0686      1.00000
     70      -9.0640      1.00000
     71      -9.0636      1.00000
     72      -9.0375      1.00000
     73      -9.0273      1.00000
     74      -9.0254      1.00000
     75      -8.1289      1.00000
     76      -7.7457      1.00000
     77      -7.4692      1.00000
     78      -7.4652      1.00000
     79      -7.4529      1.00000
     80      -7.4337      1.00000
     81      -7.4234      1.00000
     82      -7.4049      1.00000
     83      -7.3116      1.00000
     84      -7.2702      1.00000
     85      -7.2565      1.00000
     86      -7.2476      1.00000
     87      -7.1490      1.00000
     88      -7.0478      1.00000
     89      -6.4453      1.00000
     90      -6.4148      1.00000
     91      -6.3992      1.00000
     92      -6.3625      1.00000
     93      -6.3522      1.00000
     94      -6.3395      1.00000
     95      -5.9595      1.00000
     96      -5.9559      1.00000
     97      -4.8060      1.00000
     98      -4.5441      1.00000
     99      -4.4807      1.00000
    100      -4.4741      1.00000
    101      -4.3816      1.00000
    102      -4.3810      1.00000
    103      -4.2667      1.00000
    104      -4.1869      1.00000
    105      -3.7387      1.00000
    106      -3.4774      1.00000
    107      -1.8631      0.00000
    108      -1.6696      0.00000
    109      -1.6230      0.00000
    110      -1.5907      0.00000
    111      -1.5752      0.00000
    112      -1.5743      0.00000
    113      -0.4284      0.00000
    114       0.1475      0.00000
    115       0.1915      0.00000
    116       0.2552      0.00000
    117       0.2684      0.00000
    118       0.2718      0.00000
    119       0.4786      0.00000
    120       0.5594      0.00000
    121       1.2617      0.00000
    122       1.2937      0.00000
    123       1.5521      0.00000
    124       1.7683      0.00000
    125       1.7819      0.00000
    126       1.7848      0.00000
    127       1.7858      0.00000
    128       1.8331      0.00000
    129       1.9577      0.00000
    130       1.9727      0.00000
    131       1.9753      0.00000
    132       1.9894      0.00000
    133       1.9965      0.00000
    134       2.0899      0.00000
    135       2.2690      0.00000
    136       2.3436      0.00000
    137       2.6373      0.00000
    138       2.6377      0.00000
    139       2.6687      0.00000
    140       2.7201      0.00000
    141       2.9488      0.00000
    142       3.0235      0.00000
    143       3.0283      0.00000
    144       3.0559      0.00000
    145       3.0575      0.00000
    146       3.0593      0.00000
    147       3.0922      0.00000
    148       3.2874      0.00000
    149       3.4499      0.00000
    150       3.5209      0.00000
    151       3.8222      0.00000
    152       3.9587      0.00000
    153       3.9647      0.00000
    154       3.9668      0.00000
    155       3.9703      0.00000
    156       4.0028      0.00000
    157       4.1903      0.00000
    158       4.2683      0.00000
    159       4.2758      0.00000
    160       4.2901      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3888      1.00000
      2     -21.8298      1.00000
      3     -21.6374      1.00000
      4     -21.6096      1.00000
      5     -21.2738      1.00000
      6     -21.2345      1.00000
      7     -21.0561      1.00000
      8     -20.1669      1.00000
      9     -20.1287      1.00000
     10     -19.6078      1.00000
     11     -19.5965      1.00000
     12     -19.4165      1.00000
     13     -19.0889      1.00000
     14     -19.0594      1.00000
     15     -19.0482      1.00000
     16     -19.0403      1.00000
     17     -18.3600      1.00000
     18     -18.3512      1.00000
     19     -18.0184      1.00000
     20     -17.0685      1.00000
     21     -17.0298      1.00000
     22     -16.9433      1.00000
     23     -16.9391      1.00000
     24     -16.4671      1.00000
     25     -16.4624      1.00000
     26     -15.6125      1.00000
     27     -15.6068      1.00000
     28     -15.2517      1.00000
     29     -15.2426      1.00000
     30     -15.1843      1.00000
     31     -15.0977      1.00000
     32     -15.0703      1.00000
     33     -14.6976      1.00000
     34     -14.6953      1.00000
     35     -13.7258      1.00000
     36     -13.7227      1.00000
     37     -13.2354      1.00000
     38     -12.6141      1.00000
     39     -12.5834      1.00000
     40     -12.4538      1.00000
     41     -12.4496      1.00000
     42     -12.1087      1.00000
     43     -12.1033      1.00000
     44     -11.7158      1.00000
     45     -11.6850      1.00000
     46     -11.2342      1.00000
     47     -11.2255      1.00000
     48     -11.0172      1.00000
     49     -11.0090      1.00000
     50     -10.9252      1.00000
     51     -10.9041      1.00000
     52     -10.6303      1.00000
     53     -10.1549      1.00000
     54     -10.1499      1.00000
     55     -10.0917      1.00000
     56      -9.9978      1.00000
     57      -9.7013      1.00000
     58      -9.6949      1.00000
     59      -9.6548      1.00000
     60      -9.5913      1.00000
     61      -9.5749      1.00000
     62      -9.5582      1.00000
     63      -9.3070      1.00000
     64      -9.3024      1.00000
     65      -9.2731      1.00000
     66      -9.2351      1.00000
     67      -9.1357      1.00000
     68      -9.1155      1.00000
     69      -9.1098      1.00000
     70      -8.9387      1.00000
     71      -8.8706      1.00000
     72      -8.6030      1.00000
     73      -8.5901      1.00000
     74      -8.2356      1.00000
     75      -8.1006      1.00000
     76      -7.9126      1.00000
     77      -7.8623      1.00000
     78      -7.7718      1.00000
     79      -7.7558      1.00000
     80      -7.6909      1.00000
     81      -7.5599      1.00000
     82      -7.3392      1.00000
     83      -7.3218      1.00000
     84      -7.2034      1.00000
     85      -7.1221      1.00000
     86      -7.0309      1.00000
     87      -7.0108      1.00000
     88      -6.7036      1.00000
     89      -6.6768      1.00000
     90      -6.6399      1.00000
     91      -6.5968      1.00000
     92      -6.1162      1.00000
     93      -6.0611      1.00000
     94      -6.0299      1.00000
     95      -6.0105      1.00000
     96      -5.7824      1.00000
     97      -4.9739      1.00000
     98      -4.8316      1.00000
     99      -4.7462      1.00000
    100      -4.6788      1.00000
    101      -4.4684      1.00000
    102      -4.2031      1.00000
    103      -4.1715      1.00000
    104      -4.1272      1.00000
    105      -3.7291      1.00000
    106      -3.4877      1.00000
    107      -1.8705      0.00000
    108      -1.8078      0.00000
    109      -1.5245      0.00000
    110      -1.3762      0.00000
    111      -1.3214      0.00000
    112      -1.2875      0.00000
    113      -0.7200      0.00000
    114      -0.3758      0.00000
    115      -0.2487      0.00000
    116       0.0381      0.00000
    117       0.5650      0.00000
    118       0.7013      0.00000
    119       0.7473      0.00000
    120       1.0501      0.00000
    121       1.0998      0.00000
    122       1.1554      0.00000
    123       1.2298      0.00000
    124       1.3882      0.00000
    125       1.5333      0.00000
    126       1.6014      0.00000
    127       1.7206      0.00000
    128       1.7958      0.00000
    129       1.8574      0.00000
    130       1.8841      0.00000
    131       2.1014      0.00000
    132       2.2033      0.00000
    133       2.2490      0.00000
    134       2.3228      0.00000
    135       2.5260      0.00000
    136       2.6074      0.00000
    137       2.6101      0.00000
    138       2.7845      0.00000
    139       2.7938      0.00000
    140       2.8238      0.00000
    141       2.8256      0.00000
    142       2.9002      0.00000
    143       2.9355      0.00000
    144       3.1044      0.00000
    145       3.1698      0.00000
    146       3.3208      0.00000
    147       3.3492      0.00000
    148       3.4012      0.00000
    149       3.4723      0.00000
    150       3.6033      0.00000
    151       3.6441      0.00000
    152       3.6659      0.00000
    153       3.7149      0.00000
    154       3.9218      0.00000
    155       3.9651      0.00000
    156       4.0258      0.00000
    157       4.0709      0.00000
    158       4.2470      0.00000
    159       4.2578      0.00000
    160       4.2829      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2828      1.00000
      2     -22.0772      1.00000
      3     -21.7158      1.00000
      4     -21.6840      1.00000
      5     -20.9787      1.00000
      6     -20.9381      1.00000
      7     -20.6111      1.00000
      8     -20.5743      1.00000
      9     -20.5682      1.00000
     10     -20.0319      1.00000
     11     -19.5027      1.00000
     12     -19.4907      1.00000
     13     -19.3061      1.00000
     14     -19.3005      1.00000
     15     -18.4470      1.00000
     16     -18.4103      1.00000
     17     -17.9217      1.00000
     18     -17.9119      1.00000
     19     -17.7609      1.00000
     20     -17.7252      1.00000
     21     -17.4353      1.00000
     22     -17.4275      1.00000
     23     -17.3402      1.00000
     24     -16.4619      1.00000
     25     -16.4609      1.00000
     26     -15.9664      1.00000
     27     -15.4129      1.00000
     28     -15.4082      1.00000
     29     -15.0953      1.00000
     30     -15.0924      1.00000
     31     -14.8544      1.00000
     32     -14.8463      1.00000
     33     -14.2901      1.00000
     34     -14.2568      1.00000
     35     -13.4365      1.00000
     36     -13.4035      1.00000
     37     -13.1769      1.00000
     38     -13.1728      1.00000
     39     -12.9811      1.00000
     40     -12.9760      1.00000
     41     -12.6126      1.00000
     42     -12.6084      1.00000
     43     -12.1975      1.00000
     44     -11.5751      1.00000
     45     -11.5414      1.00000
     46     -11.3092      1.00000
     47     -11.2865      1.00000
     48     -11.1418      1.00000
     49     -10.6750      1.00000
     50     -10.6603      1.00000
     51     -10.5524      1.00000
     52     -10.3236      1.00000
     53     -10.3164      1.00000
     54     -10.1683      1.00000
     55     -10.1149      1.00000
     56     -10.1114      1.00000
     57      -9.7972      1.00000
     58      -9.7653      1.00000
     59      -9.7506      1.00000
     60      -9.6986      1.00000
     61      -9.6971      1.00000
     62      -9.6611      1.00000
     63      -9.3548      1.00000
     64      -9.3499      1.00000
     65      -9.3139      1.00000
     66      -9.0402      1.00000
     67      -8.9623      1.00000
     68      -8.9480      1.00000
     69      -8.7986      1.00000
     70      -8.5935      1.00000
     71      -8.5567      1.00000
     72      -8.3974      1.00000
     73      -8.3641      1.00000
     74      -8.3234      1.00000
     75      -8.3064      1.00000
     76      -8.2577      1.00000
     77      -8.2563      1.00000
     78      -8.2348      1.00000
     79      -7.9037      1.00000
     80      -7.6501      1.00000
     81      -7.5486      1.00000
     82      -7.3868      1.00000
     83      -7.3488      1.00000
     84      -7.2310      1.00000
     85      -7.0954      1.00000
     86      -7.0374      1.00000
     87      -6.9329      1.00000
     88      -6.8469      1.00000
     89      -6.6110      1.00000
     90      -6.5590      1.00000
     91      -6.2682      1.00000
     92      -6.0429      1.00000
     93      -5.9508      1.00000
     94      -5.6619      1.00000
     95      -5.6218      1.00000
     96      -5.4624      1.00000
     97      -5.3192      1.00000
     98      -5.2779      1.00000
     99      -5.2130      1.00000
    100      -5.1931      1.00000
    101      -4.5081      1.00000
    102      -4.2074      1.00000
    103      -4.0590      1.00000
    104      -3.9884      1.00000
    105      -3.6939      1.00000
    106      -3.4980      1.00000
    107      -1.9456      0.00000
    108      -1.8957      0.00000
    109      -1.3393      0.00000
    110      -1.0848      0.00000
    111      -1.0569      0.00000
    112      -0.8003      0.00000
    113      -0.6763      0.00000
    114      -0.6469      0.00000
    115      -0.6068      0.00000
    116      -0.1073      0.00000
    117       0.2158      0.00000
    118       0.3301      0.00000
    119       0.7041      0.00000
    120       0.8966      0.00000
    121       1.1303      0.00000
    122       1.2002      0.00000
    123       1.3361      0.00000
    124       1.4321      0.00000
    125       1.5584      0.00000
    126       1.5783      0.00000
    127       1.6974      0.00000
    128       1.8112      0.00000
    129       1.8895      0.00000
    130       2.0615      0.00000
    131       2.1065      0.00000
    132       2.3008      0.00000
    133       2.3545      0.00000
    134       2.4140      0.00000
    135       2.5656      0.00000
    136       2.6378      0.00000
    137       2.7217      0.00000
    138       2.7406      0.00000
    139       2.7936      0.00000
    140       2.8869      0.00000
    141       3.0537      0.00000
    142       3.0663      0.00000
    143       3.1791      0.00000
    144       3.2743      0.00000
    145       3.3706      0.00000
    146       3.4258      0.00000
    147       3.4461      0.00000
    148       3.5684      0.00000
    149       3.5872      0.00000
    150       3.6093      0.00000
    151       3.6632      0.00000
    152       3.6842      0.00000
    153       3.7682      0.00000
    154       3.7743      0.00000
    155       3.8127      0.00000
    156       3.8953      0.00000
    157       3.9361      0.00000
    158       3.9991      0.00000
    159       4.2211      0.00000
    160       4.2321      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3168      1.00000
      2     -21.9621      1.00000
      3     -21.8929      1.00000
      4     -21.3801      1.00000
      5     -21.3509      1.00000
      6     -20.8391      1.00000
      7     -20.7737      1.00000
      8     -20.6235      1.00000
      9     -20.0766      1.00000
     10     -20.0712      1.00000
     11     -19.7162      1.00000
     12     -19.6916      1.00000
     13     -18.9955      1.00000
     14     -18.9900      1.00000
     15     -18.6396      1.00000
     16     -18.6238      1.00000
     17     -18.4616      1.00000
     18     -17.6748      1.00000
     19     -17.6243      1.00000
     20     -17.6216      1.00000
     21     -17.5797      1.00000
     22     -17.1258      1.00000
     23     -17.1041      1.00000
     24     -16.9612      1.00000
     25     -16.0011      1.00000
     26     -15.9279      1.00000
     27     -15.5851      1.00000
     28     -15.5849      1.00000
     29     -15.2856      1.00000
     30     -14.8637      1.00000
     31     -14.8362      1.00000
     32     -14.5786      1.00000
     33     -14.5367      1.00000
     34     -14.1670      1.00000
     35     -14.1536      1.00000
     36     -13.1480      1.00000
     37     -13.1003      1.00000
     38     -13.0294      1.00000
     39     -13.0191      1.00000
     40     -12.7087      1.00000
     41     -12.7047      1.00000
     42     -12.3403      1.00000
     43     -12.3091      1.00000
     44     -11.6346      1.00000
     45     -11.6208      1.00000
     46     -11.5703      1.00000
     47     -10.9481      1.00000
     48     -10.9151      1.00000
     49     -10.6322      1.00000
     50     -10.6246      1.00000
     51     -10.5468      1.00000
     52     -10.4983      1.00000
     53     -10.4981      1.00000
     54     -10.4400      1.00000
     55     -10.3607      1.00000
     56     -10.0986      1.00000
     57      -9.9025      1.00000
     58      -9.6091      1.00000
     59      -9.5566      1.00000
     60      -9.4514      1.00000
     61      -9.4107      1.00000
     62      -9.4043      1.00000
     63      -9.3773      1.00000
     64      -9.3772      1.00000
     65      -9.2865      1.00000
     66      -9.1671      1.00000
     67      -9.1416      1.00000
     68      -9.1127      1.00000
     69      -8.8632      1.00000
     70      -8.8558      1.00000
     71      -8.8143      1.00000
     72      -8.5960      1.00000
     73      -8.4792      1.00000
     74      -8.1973      1.00000
     75      -8.1619      1.00000
     76      -8.0077      1.00000
     77      -7.9635      1.00000
     78      -7.8514      1.00000
     79      -7.8407      1.00000
     80      -7.7038      1.00000
     81      -7.6967      1.00000
     82      -7.6209      1.00000
     83      -7.4478      1.00000
     84      -7.2992      1.00000
     85      -7.2522      1.00000
     86      -6.9053      1.00000
     87      -6.8916      1.00000
     88      -6.5876      1.00000
     89      -6.5502      1.00000
     90      -6.4073      1.00000
     91      -6.2526      1.00000
     92      -6.2318      1.00000
     93      -6.2031      1.00000
     94      -6.0222      1.00000
     95      -5.5491      1.00000
     96      -5.4881      1.00000
     97      -5.3497      1.00000
     98      -5.2188      1.00000
     99      -4.9789      1.00000
    100      -4.7321      1.00000
    101      -4.6774      1.00000
    102      -4.3867      1.00000
    103      -4.2028      1.00000
    104      -3.8707      1.00000
    105      -3.5460      1.00000
    106      -3.5101      1.00000
    107      -2.2551      0.00000
    108      -1.4573      0.00000
    109      -1.3697      0.00000
    110      -1.2411      0.00000
    111      -1.0977      0.00000
    112      -0.9451      0.00000
    113      -0.8637      0.00000
    114      -0.8033      0.00000
    115      -0.1385      0.00000
    116       0.1128      0.00000
    117       0.2416      0.00000
    118       0.3785      0.00000
    119       0.6622      0.00000
    120       0.8372      0.00000
    121       0.9371      0.00000
    122       1.0720      0.00000
    123       1.2445      0.00000
    124       1.4553      0.00000
    125       1.5722      0.00000
    126       1.7666      0.00000
    127       1.7928      0.00000
    128       1.8631      0.00000
    129       1.9910      0.00000
    130       2.0449      0.00000
    131       2.1860      0.00000
    132       2.1949      0.00000
    133       2.4194      0.00000
    134       2.4262      0.00000
    135       2.5008      0.00000
    136       2.6054      0.00000
    137       2.6347      0.00000
    138       2.7080      0.00000
    139       2.7847      0.00000
    140       2.8519      0.00000
    141       2.9686      0.00000
    142       3.0912      0.00000
    143       3.1784      0.00000
    144       3.2090      0.00000
    145       3.2365      0.00000
    146       3.3307      0.00000
    147       3.3310      0.00000
    148       3.4751      0.00000
    149       3.5199      0.00000
    150       3.7000      0.00000
    151       3.7243      0.00000
    152       3.7311      0.00000
    153       3.8685      0.00000
    154       3.9053      0.00000
    155       3.9565      0.00000
    156       3.9790      0.00000
    157       3.9925      0.00000
    158       4.0364      0.00000
    159       4.0568      0.00000
    160       4.0617      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2098      1.00000
      2     -22.1168      1.00000
      3     -21.9561      1.00000
      4     -21.4037      1.00000
      5     -21.0491      1.00000
      6     -21.0131      1.00000
      7     -20.5001      1.00000
      8     -20.4605      1.00000
      9     -20.2942      1.00000
     10     -20.2750      1.00000
     11     -19.9568      1.00000
     12     -19.8910      1.00000
     13     -18.8818      1.00000
     14     -18.8130      1.00000
     15     -18.3523      1.00000
     16     -18.3060      1.00000
     17     -18.1523      1.00000
     18     -18.1352      1.00000
     19     -17.8261      1.00000
     20     -17.7886      1.00000
     21     -17.2512      1.00000
     22     -17.2410      1.00000
     23     -17.1642      1.00000
     24     -17.1322      1.00000
     25     -16.1096      1.00000
     26     -15.8844      1.00000
     27     -15.8696      1.00000
     28     -15.8333      1.00000
     29     -15.2359      1.00000
     30     -14.5543      1.00000
     31     -14.5263      1.00000
     32     -14.2795      1.00000
     33     -13.9636      1.00000
     34     -13.9560      1.00000
     35     -13.8200      1.00000
     36     -13.8041      1.00000
     37     -13.6139      1.00000
     38     -13.5701      1.00000
     39     -13.3692      1.00000
     40     -12.6340      1.00000
     41     -12.1802      1.00000
     42     -12.1322      1.00000
     43     -12.0709      1.00000
     44     -12.0187      1.00000
     45     -11.6696      1.00000
     46     -11.6561      1.00000
     47     -11.1382      1.00000
     48     -11.1177      1.00000
     49     -10.7935      1.00000
     50     -10.7299      1.00000
     51     -10.5284      1.00000
     52     -10.2092      1.00000
     53     -10.2044      1.00000
     54     -10.1636      1.00000
     55     -10.0176      1.00000
     56     -10.0035      1.00000
     57      -9.9899      1.00000
     58      -9.8009      1.00000
     59      -9.7972      1.00000
     60      -9.7619      1.00000
     61      -9.7570      1.00000
     62      -9.4532      1.00000
     63      -9.4165      1.00000
     64      -9.0796      1.00000
     65      -9.0725      1.00000
     66      -9.0401      1.00000
     67      -8.9544      1.00000
     68      -8.8763      1.00000
     69      -8.7119      1.00000
     70      -8.6995      1.00000
     71      -8.5647      1.00000
     72      -8.5417      1.00000
     73      -8.4983      1.00000
     74      -8.4628      1.00000
     75      -8.4519      1.00000
     76      -8.2595      1.00000
     77      -8.1246      1.00000
     78      -8.0425      1.00000
     79      -7.9157      1.00000
     80      -7.8624      1.00000
     81      -7.6139      1.00000
     82      -7.5474      1.00000
     83      -7.4884      1.00000
     84      -7.2669      1.00000
     85      -6.9956      1.00000
     86      -6.9230      1.00000
     87      -6.8822      1.00000
     88      -6.5312      1.00000
     89      -6.4859      1.00000
     90      -6.4602      1.00000
     91      -6.4092      1.00000
     92      -5.9831      1.00000
     93      -5.8967      1.00000
     94      -5.7836      1.00000
     95      -5.7588      1.00000
     96      -5.4313      1.00000
     97      -5.3287      1.00000
     98      -5.2292      1.00000
     99      -5.2168      1.00000
    100      -5.1878      1.00000
    101      -4.6916      1.00000
    102      -4.4209      1.00000
    103      -4.2093      1.00000
    104      -3.8338      1.00000
    105      -3.5293      1.00000
    106      -3.2737      1.00000
    107      -2.5303      0.00000
    108      -1.4586      0.00000
    109      -1.2656      0.00000
    110      -1.2024      0.00000
    111      -1.1717      0.00000
    112      -0.7198      0.00000
    113      -0.5032      0.00000
    114      -0.4117      0.00000
    115      -0.3386      0.00000
    116      -0.1456      0.00000
    117      -0.0028      0.00000
    118       0.1952      0.00000
    119       0.5632      0.00000
    120       0.6131      0.00000
    121       0.8051      0.00000
    122       0.9175      0.00000
    123       1.1435      0.00000
    124       1.5082      0.00000
    125       1.6468      0.00000
    126       1.8761      0.00000
    127       1.9404      0.00000
    128       2.1085      0.00000
    129       2.1174      0.00000
    130       2.1333      0.00000
    131       2.1684      0.00000
    132       2.2807      0.00000
    133       2.3179      0.00000
    134       2.4556      0.00000
    135       2.5784      0.00000
    136       2.6677      0.00000
    137       2.8629      0.00000
    138       2.8733      0.00000
    139       2.9052      0.00000
    140       3.0211      0.00000
    141       3.0336      0.00000
    142       3.1490      0.00000
    143       3.1536      0.00000
    144       3.2359      0.00000
    145       3.2788      0.00000
    146       3.2921      0.00000
    147       3.3095      0.00000
    148       3.3549      0.00000
    149       3.4368      0.00000
    150       3.4546      0.00000
    151       3.5636      0.00000
    152       3.6234      0.00000
    153       3.6727      0.00000
    154       3.7089      0.00000
    155       3.7892      0.00000
    156       3.9045      0.00000
    157       3.9490      0.00000
    158       4.0162      0.00000
    159       4.1551      0.00000
    160       4.2397      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3166      1.00000
      2     -21.9636      1.00000
      3     -21.8914      1.00000
      4     -21.3839      1.00000
      5     -21.3474      1.00000
      6     -20.8387      1.00000
      7     -20.7723      1.00000
      8     -20.6242      1.00000
      9     -20.0889      1.00000
     10     -20.0602      1.00000
     11     -19.7177      1.00000
     12     -19.6888      1.00000
     13     -19.0091      1.00000
     14     -18.9780      1.00000
     15     -18.6491      1.00000
     16     -18.6164      1.00000
     17     -18.4598      1.00000
     18     -17.6599      1.00000
     19     -17.6458      1.00000
     20     -17.6097      1.00000
     21     -17.5771      1.00000
     22     -17.1366      1.00000
     23     -17.0967      1.00000
     24     -16.9651      1.00000
     25     -16.0076      1.00000
     26     -15.9226      1.00000
     27     -15.5979      1.00000
     28     -15.5745      1.00000
     29     -15.2793      1.00000
     30     -14.8759      1.00000
     31     -14.8289      1.00000
     32     -14.5737      1.00000
     33     -14.5361      1.00000
     34     -14.1635      1.00000
     35     -14.1593      1.00000
     36     -13.1615      1.00000
     37     -13.0948      1.00000
     38     -13.0221      1.00000
     39     -13.0176      1.00000
     40     -12.7170      1.00000
     41     -12.6937      1.00000
     42     -12.3400      1.00000
     43     -12.3127      1.00000
     44     -11.6312      1.00000
     45     -11.6221      1.00000
     46     -11.5696      1.00000
     47     -10.9403      1.00000
     48     -10.9222      1.00000
     49     -10.6684      1.00000
     50     -10.5888      1.00000
     51     -10.5723      1.00000
     52     -10.5007      1.00000
     53     -10.4880      1.00000
     54     -10.4380      1.00000
     55     -10.3549      1.00000
     56     -10.1029      1.00000
     57      -9.8968      1.00000
     58      -9.6073      1.00000
     59      -9.5501      1.00000
     60      -9.4533      1.00000
     61      -9.4182      1.00000
     62      -9.4082      1.00000
     63      -9.3782      1.00000
     64      -9.3709      1.00000
     65      -9.2666      1.00000
     66      -9.1650      1.00000
     67      -9.1408      1.00000
     68      -9.1154      1.00000
     69      -8.8656      1.00000
     70      -8.8595      1.00000
     71      -8.8016      1.00000
     72      -8.5955      1.00000
     73      -8.5258      1.00000
     74      -8.1928      1.00000
     75      -8.1699      1.00000
     76      -8.0749      1.00000
     77      -7.8563      1.00000
     78      -7.8361      1.00000
     79      -7.8226      1.00000
     80      -7.7098      1.00000
     81      -7.6951      1.00000
     82      -7.5962      1.00000
     83      -7.5291      1.00000
     84      -7.3492      1.00000
     85      -7.1665      1.00000
     86      -6.9050      1.00000
     87      -6.8948      1.00000
     88      -6.5916      1.00000
     89      -6.5503      1.00000
     90      -6.4046      1.00000
     91      -6.3013      1.00000
     92      -6.2466      1.00000
     93      -6.2011      1.00000
     94      -6.0031      1.00000
     95      -5.5311      1.00000
     96      -5.4645      1.00000
     97      -5.3133      1.00000
     98      -5.2087      1.00000
     99      -5.0462      1.00000
    100      -4.7229      1.00000
    101      -4.6711      1.00000
    102      -4.4233      1.00000
    103      -4.1944      1.00000
    104      -3.8425      1.00000
    105      -3.6342      1.00000
    106      -3.4157      1.00000
    107      -2.2925      0.00000
    108      -1.5097      0.00000
    109      -1.2696      0.00000
    110      -1.2619      0.00000
    111      -1.0340      0.00000
    112      -0.9762      0.00000
    113      -0.8676      0.00000
    114      -0.7991      0.00000
    115      -0.2609      0.00000
    116       0.2043      0.00000
    117       0.2399      0.00000
    118       0.3615      0.00000
    119       0.7006      0.00000
    120       0.8956      0.00000
    121       0.9252      0.00000
    122       1.0484      0.00000
    123       1.1768      0.00000
    124       1.5181      0.00000
    125       1.5791      0.00000
    126       1.7182      0.00000
    127       1.7803      0.00000
    128       1.8297      0.00000
    129       1.9536      0.00000
    130       2.0066      0.00000
    131       2.1749      0.00000
    132       2.2825      0.00000
    133       2.4212      0.00000
    134       2.4355      0.00000
    135       2.4965      0.00000
    136       2.6026      0.00000
    137       2.6190      0.00000
    138       2.7124      0.00000
    139       2.7632      0.00000
    140       2.8798      0.00000
    141       3.0500      0.00000
    142       3.0904      0.00000
    143       3.1768      0.00000
    144       3.2256      0.00000
    145       3.2398      0.00000
    146       3.3045      0.00000
    147       3.3594      0.00000
    148       3.4622      0.00000
    149       3.5380      0.00000
    150       3.7015      0.00000
    151       3.7206      0.00000
    152       3.7560      0.00000
    153       3.8365      0.00000
    154       3.8887      0.00000
    155       3.9433      0.00000
    156       3.9835      0.00000
    157       3.9971      0.00000
    158       4.0237      0.00000
    159       4.0408      0.00000
    160       4.0836      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3888      1.00000
      2     -21.8300      1.00000
      3     -21.6407      1.00000
      4     -21.6057      1.00000
      5     -21.2780      1.00000
      6     -21.2310      1.00000
      7     -21.0556      1.00000
      8     -20.1706      1.00000
      9     -20.1245      1.00000
     10     -19.6166      1.00000
     11     -19.5898      1.00000
     12     -19.4147      1.00000
     13     -19.0940      1.00000
     14     -19.0553      1.00000
     15     -19.0509      1.00000
     16     -19.0376      1.00000
     17     -18.3663      1.00000
     18     -18.3461      1.00000
     19     -18.0156      1.00000
     20     -17.0715      1.00000
     21     -17.0227      1.00000
     22     -16.9490      1.00000
     23     -16.9349      1.00000
     24     -16.4740      1.00000
     25     -16.4625      1.00000
     26     -15.6090      1.00000
     27     -15.6085      1.00000
     28     -15.2495      1.00000
     29     -15.2368      1.00000
     30     -15.1900      1.00000
     31     -15.1002      1.00000
     32     -15.0668      1.00000
     33     -14.6980      1.00000
     34     -14.6966      1.00000
     35     -13.7247      1.00000
     36     -13.7242      1.00000
     37     -13.2337      1.00000
     38     -12.6233      1.00000
     39     -12.5786      1.00000
     40     -12.4535      1.00000
     41     -12.4479      1.00000
     42     -12.1050      1.00000
     43     -12.0995      1.00000
     44     -11.7215      1.00000
     45     -11.6829      1.00000
     46     -11.2449      1.00000
     47     -11.2237      1.00000
     48     -11.0164      1.00000
     49     -11.0044      1.00000
     50     -10.9274      1.00000
     51     -10.8988      1.00000
     52     -10.6364      1.00000
     53     -10.1709      1.00000
     54     -10.1480      1.00000
     55     -10.0828      1.00000
     56      -9.9912      1.00000
     57      -9.6953      1.00000
     58      -9.6890      1.00000
     59      -9.6694      1.00000
     60      -9.5908      1.00000
     61      -9.5673      1.00000
     62      -9.5528      1.00000
     63      -9.3114      1.00000
     64      -9.2986      1.00000
     65      -9.2821      1.00000
     66      -9.2433      1.00000
     67      -9.1211      1.00000
     68      -9.1110      1.00000
     69      -9.1095      1.00000
     70      -8.9385      1.00000
     71      -8.8757      1.00000
     72      -8.6047      1.00000
     73      -8.5866      1.00000
     74      -8.2702      1.00000
     75      -8.0994      1.00000
     76      -7.8681      1.00000
     77      -7.8426      1.00000
     78      -7.7897      1.00000
     79      -7.7636      1.00000
     80      -7.7541      1.00000
     81      -7.4465      1.00000
     82      -7.3334      1.00000
     83      -7.3212      1.00000
     84      -7.2650      1.00000
     85      -7.1615      1.00000
     86      -7.0157      1.00000
     87      -6.9852      1.00000
     88      -6.7166      1.00000
     89      -6.6896      1.00000
     90      -6.6307      1.00000
     91      -6.5894      1.00000
     92      -6.1154      1.00000
     93      -6.0588      1.00000
     94      -6.0437      1.00000
     95      -6.0288      1.00000
     96      -5.7471      1.00000
     97      -4.9742      1.00000
     98      -4.8389      1.00000
     99      -4.7082      1.00000
    100      -4.6730      1.00000
    101      -4.4831      1.00000
    102      -4.3522      1.00000
    103      -4.1109      1.00000
    104      -4.0550      1.00000
    105      -3.7545      1.00000
    106      -3.4652      1.00000
    107      -1.9516      0.00000
    108      -1.7707      0.00000
    109      -1.4795      0.00000
    110      -1.3552      0.00000
    111      -1.3350      0.00000
    112      -1.2912      0.00000
    113      -0.6772      0.00000
    114      -0.4714      0.00000
    115      -0.2358      0.00000
    116       0.0529      0.00000
    117       0.5986      0.00000
    118       0.6919      0.00000
    119       0.7708      0.00000
    120       1.0253      0.00000
    121       1.0976      0.00000
    122       1.1808      0.00000
    123       1.2545      0.00000
    124       1.3436      0.00000
    125       1.4470      0.00000
    126       1.6170      0.00000
    127       1.7485      0.00000
    128       1.8468      0.00000
    129       1.8566      0.00000
    130       1.8935      0.00000
    131       2.0418      0.00000
    132       2.2270      0.00000
    133       2.2518      0.00000
    134       2.3061      0.00000
    135       2.4856      0.00000
    136       2.6040      0.00000
    137       2.6417      0.00000
    138       2.7765      0.00000
    139       2.7877      0.00000
    140       2.8315      0.00000
    141       2.8398      0.00000
    142       2.8520      0.00000
    143       2.9244      0.00000
    144       3.1112      0.00000
    145       3.3189      0.00000
    146       3.3407      0.00000
    147       3.3803      0.00000
    148       3.4074      0.00000
    149       3.4304      0.00000
    150       3.5910      0.00000
    151       3.6330      0.00000
    152       3.6828      0.00000
    153       3.7400      0.00000
    154       3.9037      0.00000
    155       3.9354      0.00000
    156       3.9551      0.00000
    157       4.1077      0.00000
    158       4.2134      0.00000
    159       4.2643      0.00000
    160       4.2878      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2089      1.00000
      2     -22.1181      1.00000
      3     -21.9558      1.00000
      4     -21.4039      1.00000
      5     -21.0452      1.00000
      6     -21.0169      1.00000
      7     -20.4951      1.00000
      8     -20.4653      1.00000
      9     -20.2852      1.00000
     10     -20.2833      1.00000
     11     -19.9559      1.00000
     12     -19.8928      1.00000
     13     -18.8827      1.00000
     14     -18.8151      1.00000
     15     -18.3369      1.00000
     16     -18.3174      1.00000
     17     -18.1483      1.00000
     18     -18.1407      1.00000
     19     -17.8149      1.00000
     20     -17.7966      1.00000
     21     -17.2573      1.00000
     22     -17.2378      1.00000
     23     -17.1593      1.00000
     24     -17.1349      1.00000
     25     -16.1148      1.00000
     26     -15.8800      1.00000
     27     -15.8689      1.00000
     28     -15.8397      1.00000
     29     -15.2303      1.00000
     30     -14.5504      1.00000
     31     -14.5321      1.00000
     32     -14.2751      1.00000
     33     -13.9736      1.00000
     34     -13.9499      1.00000
     35     -13.8234      1.00000
     36     -13.8014      1.00000
     37     -13.6036      1.00000
     38     -13.5780      1.00000
     39     -13.3689      1.00000
     40     -12.6372      1.00000
     41     -12.1686      1.00000
     42     -12.1420      1.00000
     43     -12.0677      1.00000
     44     -12.0207      1.00000
     45     -11.6632      1.00000
     46     -11.6586      1.00000
     47     -11.1363      1.00000
     48     -11.1254      1.00000
     49     -10.7905      1.00000
     50     -10.7342      1.00000
     51     -10.5351      1.00000
     52     -10.2069      1.00000
     53     -10.2009      1.00000
     54     -10.1693      1.00000
     55     -10.0215      1.00000
     56      -9.9931      1.00000
     57      -9.9888      1.00000
     58      -9.8038      1.00000
     59      -9.7946      1.00000
     60      -9.7635      1.00000
     61      -9.7561      1.00000
     62      -9.4546      1.00000
     63      -9.4165      1.00000
     64      -9.0834      1.00000
     65      -9.0445      1.00000
     66      -9.0244      1.00000
     67      -8.9701      1.00000
     68      -8.8970      1.00000
     69      -8.7067      1.00000
     70      -8.6978      1.00000
     71      -8.5603      1.00000
     72      -8.5496      1.00000
     73      -8.4770      1.00000
     74      -8.4589      1.00000
     75      -8.4559      1.00000
     76      -8.3077      1.00000
     77      -8.0941      1.00000
     78      -8.0883      1.00000
     79      -7.9248      1.00000
     80      -7.8306      1.00000
     81      -7.6000      1.00000
     82      -7.5376      1.00000
     83      -7.4419      1.00000
     84      -7.3134      1.00000
     85      -6.9919      1.00000
     86      -6.9175      1.00000
     87      -6.8800      1.00000
     88      -6.5284      1.00000
     89      -6.5143      1.00000
     90      -6.4809      1.00000
     91      -6.4196      1.00000
     92      -5.9261      1.00000
     93      -5.9046      1.00000
     94      -5.7881      1.00000
     95      -5.7738      1.00000
     96      -5.3688      1.00000
     97      -5.3620      1.00000
     98      -5.2198      1.00000
     99      -5.2146      1.00000
    100      -5.1977      1.00000
    101      -4.7198      1.00000
    102      -4.4419      1.00000
    103      -4.1905      1.00000
    104      -3.8202      1.00000
    105      -3.5656      1.00000
    106      -3.2204      1.00000
    107      -2.5626      0.00000
    108      -1.4637      0.00000
    109      -1.2655      0.00000
    110      -1.1852      0.00000
    111      -1.1836      0.00000
    112      -0.6445      0.00000
    113      -0.5507      0.00000
    114      -0.4146      0.00000
    115      -0.3471      0.00000
    116      -0.0766      0.00000
    117      -0.0622      0.00000
    118       0.1275      0.00000
    119       0.5929      0.00000
    120       0.6276      0.00000
    121       0.8655      0.00000
    122       0.9968      0.00000
    123       1.0121      0.00000
    124       1.5025      0.00000
    125       1.6954      0.00000
    126       1.7934      0.00000
    127       1.8786      0.00000
    128       2.1051      0.00000
    129       2.1291      0.00000
    130       2.1793      0.00000
    131       2.2104      0.00000
    132       2.2501      0.00000
    133       2.3342      0.00000
    134       2.4905      0.00000
    135       2.5046      0.00000
    136       2.6793      0.00000
    137       2.8533      0.00000
    138       2.8623      0.00000
    139       2.9652      0.00000
    140       3.0100      0.00000
    141       3.0492      0.00000
    142       3.1470      0.00000
    143       3.1597      0.00000
    144       3.2536      0.00000
    145       3.2574      0.00000
    146       3.2841      0.00000
    147       3.3119      0.00000
    148       3.3642      0.00000
    149       3.4293      0.00000
    150       3.5617      0.00000
    151       3.5754      0.00000
    152       3.6566      0.00000
    153       3.6595      0.00000
    154       3.6755      0.00000
    155       3.7095      0.00000
    156       3.9075      0.00000
    157       3.9670      0.00000
    158       4.0509      0.00000
    159       4.0993      0.00000
    160       4.2042      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2824      1.00000
      2     -22.0778      1.00000
      3     -21.7195      1.00000
      4     -21.6803      1.00000
      5     -20.9820      1.00000
      6     -20.9342      1.00000
      7     -20.6104      1.00000
      8     -20.5783      1.00000
      9     -20.5648      1.00000
     10     -20.0313      1.00000
     11     -19.5130      1.00000
     12     -19.4824      1.00000
     13     -19.3109      1.00000
     14     -19.2974      1.00000
     15     -18.4487      1.00000
     16     -18.4055      1.00000
     17     -17.9270      1.00000
     18     -17.9062      1.00000
     19     -17.7650      1.00000
     20     -17.7200      1.00000
     21     -17.4410      1.00000
     22     -17.4221      1.00000
     23     -17.3372      1.00000
     24     -16.4702      1.00000
     25     -16.4604      1.00000
     26     -15.9688      1.00000
     27     -15.4106      1.00000
     28     -15.4094      1.00000
     29     -15.0953      1.00000
     30     -15.0925      1.00000
     31     -14.8528      1.00000
     32     -14.8398      1.00000
     33     -14.2967      1.00000
     34     -14.2525      1.00000
     35     -13.4432      1.00000
     36     -13.3988      1.00000
     37     -13.1749      1.00000
     38     -13.1730      1.00000
     39     -12.9842      1.00000
     40     -12.9751      1.00000
     41     -12.6105      1.00000
     42     -12.6079      1.00000
     43     -12.1951      1.00000
     44     -11.5795      1.00000
     45     -11.5383      1.00000
     46     -11.3132      1.00000
     47     -11.2829      1.00000
     48     -11.1403      1.00000
     49     -10.6923      1.00000
     50     -10.6623      1.00000
     51     -10.5464      1.00000
     52     -10.3209      1.00000
     53     -10.3130      1.00000
     54     -10.1746      1.00000
     55     -10.1207      1.00000
     56     -10.1078      1.00000
     57      -9.8103      1.00000
     58      -9.7509      1.00000
     59      -9.7508      1.00000
     60      -9.7005      1.00000
     61      -9.6971      1.00000
     62      -9.6457      1.00000
     63      -9.3511      1.00000
     64      -9.3498      1.00000
     65      -9.3182      1.00000
     66      -9.0270      1.00000
     67      -8.9602      1.00000
     68      -8.9568      1.00000
     69      -8.7743      1.00000
     70      -8.5922      1.00000
     71      -8.5875      1.00000
     72      -8.4228      1.00000
     73      -8.3486      1.00000
     74      -8.3221      1.00000
     75      -8.3015      1.00000
     76      -8.2651      1.00000
     77      -8.2545      1.00000
     78      -8.2393      1.00000
     79      -7.9203      1.00000
     80      -7.7328      1.00000
     81      -7.3780      1.00000
     82      -7.3477      1.00000
     83      -7.3226      1.00000
     84      -7.2152      1.00000
     85      -7.1592      1.00000
     86      -7.0641      1.00000
     87      -6.9596      1.00000
     88      -6.9041      1.00000
     89      -6.6144      1.00000
     90      -6.5544      1.00000
     91      -6.2721      1.00000
     92      -5.9956      1.00000
     93      -5.9587      1.00000
     94      -5.6744      1.00000
     95      -5.6477      1.00000
     96      -5.3865      1.00000
     97      -5.3145      1.00000
     98      -5.2932      1.00000
     99      -5.2111      1.00000
    100      -5.1994      1.00000
    101      -4.5111      1.00000
    102      -4.3388      1.00000
    103      -3.9956      1.00000
    104      -3.8854      1.00000
    105      -3.7924      1.00000
    106      -3.4429      1.00000
    107      -2.0355      0.00000
    108      -1.8628      0.00000
    109      -1.2176      0.00000
    110      -1.1823      0.00000
    111      -1.0359      0.00000
    112      -0.7722      0.00000
    113      -0.6766      0.00000
    114      -0.6599      0.00000
    115      -0.6087      0.00000
    116      -0.1005      0.00000
    117       0.2234      0.00000
    118       0.2414      0.00000
    119       0.7809      0.00000
    120       0.9935      0.00000
    121       1.0759      0.00000
    122       1.2442      0.00000
    123       1.2534      0.00000
    124       1.3507      0.00000
    125       1.5836      0.00000
    126       1.5850      0.00000
    127       1.7229      0.00000
    128       1.7985      0.00000
    129       1.9612      0.00000
    130       1.9859      0.00000
    131       2.0525      0.00000
    132       2.2618      0.00000
    133       2.3427      0.00000
    134       2.4317      0.00000
    135       2.5583      0.00000
    136       2.6368      0.00000
    137       2.7286      0.00000
    138       2.7966      0.00000
    139       2.8560      0.00000
    140       2.8718      0.00000
    141       3.0499      0.00000
    142       3.1126      0.00000
    143       3.1720      0.00000
    144       3.2298      0.00000
    145       3.3790      0.00000
    146       3.4206      0.00000
    147       3.5162      0.00000
    148       3.5614      0.00000
    149       3.5935      0.00000
    150       3.6133      0.00000
    151       3.6592      0.00000
    152       3.7444      0.00000
    153       3.7570      0.00000
    154       3.7644      0.00000
    155       3.7796      0.00000
    156       3.8783      0.00000
    157       4.0234      0.00000
    158       4.1010      0.00000
    159       4.1820      0.00000
    160       4.2255      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4255      1.00000
      2     -21.6024      1.00000
      3     -21.4806      1.00000
      4     -21.4716      1.00000
      5     -21.4399      1.00000
      6     -21.4392      1.00000
      7     -21.4289      1.00000
      8     -19.7068      1.00000
      9     -19.6517      1.00000
     10     -19.6284      1.00000
     11     -19.6176      1.00000
     12     -19.6125      1.00000
     13     -19.6108      1.00000
     14     -18.7894      1.00000
     15     -18.7535      1.00000
     16     -18.7338      1.00000
     17     -18.7244      1.00000
     18     -18.7169      1.00000
     19     -18.7124      1.00000
     20     -16.6340      1.00000
     21     -16.6081      1.00000
     22     -16.5840      1.00000
     23     -16.5808      1.00000
     24     -16.5534      1.00000
     25     -16.5520      1.00000
     26     -15.6133      1.00000
     27     -15.6021      1.00000
     28     -15.5983      1.00000
     29     -15.5636      1.00000
     30     -15.5621      1.00000
     31     -15.5599      1.00000
     32     -14.2586      1.00000
     33     -14.2493      1.00000
     34     -14.2403      1.00000
     35     -14.2354      1.00000
     36     -14.2210      1.00000
     37     -14.2184      1.00000
     38     -11.9052      1.00000
     39     -11.8785      1.00000
     40     -11.8680      1.00000
     41     -11.8642      1.00000
     42     -11.8436      1.00000
     43     -11.8436      1.00000
     44     -11.7699      1.00000
     45     -11.7680      1.00000
     46     -11.7340      1.00000
     47     -11.7277      1.00000
     48     -11.7248      1.00000
     49     -11.7211      1.00000
     50     -10.6753      1.00000
     51     -10.3871      1.00000
     52     -10.3832      1.00000
     53     -10.3759      1.00000
     54     -10.3671      1.00000
     55     -10.3552      1.00000
     56     -10.3525      1.00000
     57      -9.9033      1.00000
     58      -9.4496      1.00000
     59      -9.4044      1.00000
     60      -9.3614      1.00000
     61      -9.3608      1.00000
     62      -9.3528      1.00000
     63      -9.1410      1.00000
     64      -9.1226      1.00000
     65      -9.1199      1.00000
     66      -9.0848      1.00000
     67      -9.0704      1.00000
     68      -9.0695      1.00000
     69      -9.0686      1.00000
     70      -9.0640      1.00000
     71      -9.0636      1.00000
     72      -9.0375      1.00000
     73      -9.0273      1.00000
     74      -9.0254      1.00000
     75      -8.1289      1.00000
     76      -7.7457      1.00000
     77      -7.4692      1.00000
     78      -7.4652      1.00000
     79      -7.4529      1.00000
     80      -7.4337      1.00000
     81      -7.4234      1.00000
     82      -7.4049      1.00000
     83      -7.3116      1.00000
     84      -7.2702      1.00000
     85      -7.2565      1.00000
     86      -7.2476      1.00000
     87      -7.1490      1.00000
     88      -7.0478      1.00000
     89      -6.4453      1.00000
     90      -6.4148      1.00000
     91      -6.3992      1.00000
     92      -6.3625      1.00000
     93      -6.3522      1.00000
     94      -6.3395      1.00000
     95      -5.9595      1.00000
     96      -5.9559      1.00000
     97      -4.8060      1.00000
     98      -4.5441      1.00000
     99      -4.4807      1.00000
    100      -4.4741      1.00000
    101      -4.3816      1.00000
    102      -4.3810      1.00000
    103      -4.2667      1.00000
    104      -4.1869      1.00000
    105      -3.7387      1.00000
    106      -3.4774      1.00000
    107      -1.8631      0.00000
    108      -1.6696      0.00000
    109      -1.6230      0.00000
    110      -1.5907      0.00000
    111      -1.5752      0.00000
    112      -1.5743      0.00000
    113      -0.4284      0.00000
    114       0.1475      0.00000
    115       0.1915      0.00000
    116       0.2552      0.00000
    117       0.2684      0.00000
    118       0.2718      0.00000
    119       0.4786      0.00000
    120       0.5595      0.00000
    121       1.2617      0.00000
    122       1.2937      0.00000
    123       1.5522      0.00000
    124       1.7684      0.00000
    125       1.7819      0.00000
    126       1.7848      0.00000
    127       1.7858      0.00000
    128       1.8331      0.00000
    129       1.9577      0.00000
    130       1.9727      0.00000
    131       1.9753      0.00000
    132       1.9894      0.00000
    133       1.9965      0.00000
    134       2.0900      0.00000
    135       2.2690      0.00000
    136       2.3436      0.00000
    137       2.6373      0.00000
    138       2.6377      0.00000
    139       2.6687      0.00000
    140       2.7202      0.00000
    141       2.9489      0.00000
    142       3.0236      0.00000
    143       3.0285      0.00000
    144       3.0560      0.00000
    145       3.0574      0.00000
    146       3.0593      0.00000
    147       3.0922      0.00000
    148       3.2875      0.00000
    149       3.4499      0.00000
    150       3.5210      0.00000
    151       3.8223      0.00000
    152       3.9588      0.00000
    153       3.9648      0.00000
    154       3.9668      0.00000
    155       3.9703      0.00000
    156       4.0029      0.00000
    157       4.1905      0.00000
    158       4.2684      0.00000
    159       4.2758      0.00000
    160       4.2902      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3888      1.00000
      2     -21.8298      1.00000
      3     -21.6374      1.00000
      4     -21.6096      1.00000
      5     -21.2738      1.00000
      6     -21.2345      1.00000
      7     -21.0561      1.00000
      8     -20.1669      1.00000
      9     -20.1287      1.00000
     10     -19.6078      1.00000
     11     -19.5965      1.00000
     12     -19.4165      1.00000
     13     -19.0889      1.00000
     14     -19.0594      1.00000
     15     -19.0482      1.00000
     16     -19.0403      1.00000
     17     -18.3600      1.00000
     18     -18.3512      1.00000
     19     -18.0184      1.00000
     20     -17.0685      1.00000
     21     -17.0298      1.00000
     22     -16.9433      1.00000
     23     -16.9391      1.00000
     24     -16.4671      1.00000
     25     -16.4624      1.00000
     26     -15.6125      1.00000
     27     -15.6068      1.00000
     28     -15.2517      1.00000
     29     -15.2426      1.00000
     30     -15.1843      1.00000
     31     -15.0977      1.00000
     32     -15.0703      1.00000
     33     -14.6976      1.00000
     34     -14.6953      1.00000
     35     -13.7258      1.00000
     36     -13.7227      1.00000
     37     -13.2354      1.00000
     38     -12.6141      1.00000
     39     -12.5834      1.00000
     40     -12.4538      1.00000
     41     -12.4496      1.00000
     42     -12.1087      1.00000
     43     -12.1033      1.00000
     44     -11.7158      1.00000
     45     -11.6850      1.00000
     46     -11.2342      1.00000
     47     -11.2255      1.00000
     48     -11.0172      1.00000
     49     -11.0090      1.00000
     50     -10.9252      1.00000
     51     -10.9041      1.00000
     52     -10.6303      1.00000
     53     -10.1549      1.00000
     54     -10.1499      1.00000
     55     -10.0917      1.00000
     56      -9.9978      1.00000
     57      -9.7013      1.00000
     58      -9.6949      1.00000
     59      -9.6548      1.00000
     60      -9.5913      1.00000
     61      -9.5749      1.00000
     62      -9.5582      1.00000
     63      -9.3070      1.00000
     64      -9.3024      1.00000
     65      -9.2731      1.00000
     66      -9.2351      1.00000
     67      -9.1357      1.00000
     68      -9.1155      1.00000
     69      -9.1098      1.00000
     70      -8.9387      1.00000
     71      -8.8706      1.00000
     72      -8.6030      1.00000
     73      -8.5901      1.00000
     74      -8.2356      1.00000
     75      -8.1006      1.00000
     76      -7.9126      1.00000
     77      -7.8623      1.00000
     78      -7.7718      1.00000
     79      -7.7558      1.00000
     80      -7.6909      1.00000
     81      -7.5599      1.00000
     82      -7.3392      1.00000
     83      -7.3218      1.00000
     84      -7.2034      1.00000
     85      -7.1221      1.00000
     86      -7.0309      1.00000
     87      -7.0108      1.00000
     88      -6.7036      1.00000
     89      -6.6768      1.00000
     90      -6.6399      1.00000
     91      -6.5968      1.00000
     92      -6.1162      1.00000
     93      -6.0611      1.00000
     94      -6.0299      1.00000
     95      -6.0105      1.00000
     96      -5.7824      1.00000
     97      -4.9739      1.00000
     98      -4.8316      1.00000
     99      -4.7462      1.00000
    100      -4.6788      1.00000
    101      -4.4684      1.00000
    102      -4.2032      1.00000
    103      -4.1715      1.00000
    104      -4.1272      1.00000
    105      -3.7291      1.00000
    106      -3.4877      1.00000
    107      -1.8705      0.00000
    108      -1.8078      0.00000
    109      -1.5245      0.00000
    110      -1.3762      0.00000
    111      -1.3214      0.00000
    112      -1.2875      0.00000
    113      -0.7200      0.00000
    114      -0.3758      0.00000
    115      -0.2487      0.00000
    116       0.0382      0.00000
    117       0.5651      0.00000
    118       0.7013      0.00000
    119       0.7473      0.00000
    120       1.0501      0.00000
    121       1.0998      0.00000
    122       1.1554      0.00000
    123       1.2298      0.00000
    124       1.3882      0.00000
    125       1.5333      0.00000
    126       1.6014      0.00000
    127       1.7206      0.00000
    128       1.7958      0.00000
    129       1.8574      0.00000
    130       1.8841      0.00000
    131       2.1014      0.00000
    132       2.2034      0.00000
    133       2.2490      0.00000
    134       2.3229      0.00000
    135       2.5260      0.00000
    136       2.6074      0.00000
    137       2.6102      0.00000
    138       2.7846      0.00000
    139       2.7938      0.00000
    140       2.8238      0.00000
    141       2.8257      0.00000
    142       2.9003      0.00000
    143       2.9356      0.00000
    144       3.1044      0.00000
    145       3.1698      0.00000
    146       3.3209      0.00000
    147       3.3493      0.00000
    148       3.4012      0.00000
    149       3.4724      0.00000
    150       3.6034      0.00000
    151       3.6441      0.00000
    152       3.6660      0.00000
    153       3.7150      0.00000
    154       3.9219      0.00000
    155       3.9651      0.00000
    156       4.0258      0.00000
    157       4.0710      0.00000
    158       4.2471      0.00000
    159       4.2579      0.00000
    160       4.2830      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2828      1.00000
      2     -22.0772      1.00000
      3     -21.7158      1.00000
      4     -21.6840      1.00000
      5     -20.9787      1.00000
      6     -20.9381      1.00000
      7     -20.6111      1.00000
      8     -20.5743      1.00000
      9     -20.5682      1.00000
     10     -20.0319      1.00000
     11     -19.5027      1.00000
     12     -19.4907      1.00000
     13     -19.3061      1.00000
     14     -19.3005      1.00000
     15     -18.4470      1.00000
     16     -18.4103      1.00000
     17     -17.9217      1.00000
     18     -17.9119      1.00000
     19     -17.7609      1.00000
     20     -17.7252      1.00000
     21     -17.4353      1.00000
     22     -17.4275      1.00000
     23     -17.3402      1.00000
     24     -16.4619      1.00000
     25     -16.4609      1.00000
     26     -15.9664      1.00000
     27     -15.4129      1.00000
     28     -15.4082      1.00000
     29     -15.0953      1.00000
     30     -15.0924      1.00000
     31     -14.8544      1.00000
     32     -14.8463      1.00000
     33     -14.2901      1.00000
     34     -14.2568      1.00000
     35     -13.4365      1.00000
     36     -13.4035      1.00000
     37     -13.1769      1.00000
     38     -13.1728      1.00000
     39     -12.9811      1.00000
     40     -12.9760      1.00000
     41     -12.6126      1.00000
     42     -12.6084      1.00000
     43     -12.1975      1.00000
     44     -11.5751      1.00000
     45     -11.5414      1.00000
     46     -11.3092      1.00000
     47     -11.2865      1.00000
     48     -11.1418      1.00000
     49     -10.6750      1.00000
     50     -10.6603      1.00000
     51     -10.5524      1.00000
     52     -10.3236      1.00000
     53     -10.3164      1.00000
     54     -10.1683      1.00000
     55     -10.1149      1.00000
     56     -10.1114      1.00000
     57      -9.7972      1.00000
     58      -9.7653      1.00000
     59      -9.7506      1.00000
     60      -9.6986      1.00000
     61      -9.6971      1.00000
     62      -9.6611      1.00000
     63      -9.3548      1.00000
     64      -9.3499      1.00000
     65      -9.3139      1.00000
     66      -9.0402      1.00000
     67      -8.9623      1.00000
     68      -8.9480      1.00000
     69      -8.7986      1.00000
     70      -8.5935      1.00000
     71      -8.5567      1.00000
     72      -8.3974      1.00000
     73      -8.3641      1.00000
     74      -8.3234      1.00000
     75      -8.3064      1.00000
     76      -8.2577      1.00000
     77      -8.2563      1.00000
     78      -8.2348      1.00000
     79      -7.9037      1.00000
     80      -7.6501      1.00000
     81      -7.5486      1.00000
     82      -7.3868      1.00000
     83      -7.3488      1.00000
     84      -7.2310      1.00000
     85      -7.0954      1.00000
     86      -7.0374      1.00000
     87      -6.9329      1.00000
     88      -6.8469      1.00000
     89      -6.6110      1.00000
     90      -6.5590      1.00000
     91      -6.2682      1.00000
     92      -6.0429      1.00000
     93      -5.9508      1.00000
     94      -5.6619      1.00000
     95      -5.6218      1.00000
     96      -5.4624      1.00000
     97      -5.3192      1.00000
     98      -5.2779      1.00000
     99      -5.2130      1.00000
    100      -5.1931      1.00000
    101      -4.5081      1.00000
    102      -4.2074      1.00000
    103      -4.0590      1.00000
    104      -3.9884      1.00000
    105      -3.6939      1.00000
    106      -3.4980      1.00000
    107      -1.9456      0.00000
    108      -1.8957      0.00000
    109      -1.3393      0.00000
    110      -1.0848      0.00000
    111      -1.0569      0.00000
    112      -0.8003      0.00000
    113      -0.6763      0.00000
    114      -0.6469      0.00000
    115      -0.6068      0.00000
    116      -0.1073      0.00000
    117       0.2158      0.00000
    118       0.3301      0.00000
    119       0.7041      0.00000
    120       0.8966      0.00000
    121       1.1303      0.00000
    122       1.2002      0.00000
    123       1.3361      0.00000
    124       1.4322      0.00000
    125       1.5584      0.00000
    126       1.5783      0.00000
    127       1.6974      0.00000
    128       1.8112      0.00000
    129       1.8896      0.00000
    130       2.0616      0.00000
    131       2.1066      0.00000
    132       2.3008      0.00000
    133       2.3546      0.00000
    134       2.4140      0.00000
    135       2.5656      0.00000
    136       2.6378      0.00000
    137       2.7218      0.00000
    138       2.7406      0.00000
    139       2.7937      0.00000
    140       2.8870      0.00000
    141       3.0537      0.00000
    142       3.0664      0.00000
    143       3.1792      0.00000
    144       3.2744      0.00000
    145       3.3706      0.00000
    146       3.4258      0.00000
    147       3.4461      0.00000
    148       3.5684      0.00000
    149       3.5872      0.00000
    150       3.6093      0.00000
    151       3.6632      0.00000
    152       3.6843      0.00000
    153       3.7682      0.00000
    154       3.7743      0.00000
    155       3.8128      0.00000
    156       3.8953      0.00000
    157       3.9361      0.00000
    158       3.9993      0.00000
    159       4.2211      0.00000
    160       4.2322      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3168      1.00000
      2     -21.9621      1.00000
      3     -21.8929      1.00000
      4     -21.3801      1.00000
      5     -21.3509      1.00000
      6     -20.8391      1.00000
      7     -20.7737      1.00000
      8     -20.6235      1.00000
      9     -20.0766      1.00000
     10     -20.0712      1.00000
     11     -19.7162      1.00000
     12     -19.6916      1.00000
     13     -18.9955      1.00000
     14     -18.9900      1.00000
     15     -18.6396      1.00000
     16     -18.6238      1.00000
     17     -18.4616      1.00000
     18     -17.6748      1.00000
     19     -17.6243      1.00000
     20     -17.6216      1.00000
     21     -17.5797      1.00000
     22     -17.1258      1.00000
     23     -17.1041      1.00000
     24     -16.9612      1.00000
     25     -16.0011      1.00000
     26     -15.9279      1.00000
     27     -15.5851      1.00000
     28     -15.5849      1.00000
     29     -15.2856      1.00000
     30     -14.8637      1.00000
     31     -14.8362      1.00000
     32     -14.5786      1.00000
     33     -14.5367      1.00000
     34     -14.1670      1.00000
     35     -14.1536      1.00000
     36     -13.1480      1.00000
     37     -13.1003      1.00000
     38     -13.0294      1.00000
     39     -13.0191      1.00000
     40     -12.7087      1.00000
     41     -12.7047      1.00000
     42     -12.3403      1.00000
     43     -12.3091      1.00000
     44     -11.6346      1.00000
     45     -11.6208      1.00000
     46     -11.5703      1.00000
     47     -10.9481      1.00000
     48     -10.9151      1.00000
     49     -10.6322      1.00000
     50     -10.6246      1.00000
     51     -10.5468      1.00000
     52     -10.4983      1.00000
     53     -10.4981      1.00000
     54     -10.4400      1.00000
     55     -10.3607      1.00000
     56     -10.0986      1.00000
     57      -9.9025      1.00000
     58      -9.6091      1.00000
     59      -9.5566      1.00000
     60      -9.4514      1.00000
     61      -9.4107      1.00000
     62      -9.4043      1.00000
     63      -9.3773      1.00000
     64      -9.3772      1.00000
     65      -9.2865      1.00000
     66      -9.1671      1.00000
     67      -9.1416      1.00000
     68      -9.1127      1.00000
     69      -8.8632      1.00000
     70      -8.8558      1.00000
     71      -8.8143      1.00000
     72      -8.5960      1.00000
     73      -8.4792      1.00000
     74      -8.1973      1.00000
     75      -8.1619      1.00000
     76      -8.0077      1.00000
     77      -7.9635      1.00000
     78      -7.8514      1.00000
     79      -7.8407      1.00000
     80      -7.7038      1.00000
     81      -7.6967      1.00000
     82      -7.6209      1.00000
     83      -7.4478      1.00000
     84      -7.2992      1.00000
     85      -7.2522      1.00000
     86      -6.9053      1.00000
     87      -6.8916      1.00000
     88      -6.5876      1.00000
     89      -6.5502      1.00000
     90      -6.4073      1.00000
     91      -6.2526      1.00000
     92      -6.2318      1.00000
     93      -6.2031      1.00000
     94      -6.0222      1.00000
     95      -5.5491      1.00000
     96      -5.4881      1.00000
     97      -5.3497      1.00000
     98      -5.2188      1.00000
     99      -4.9789      1.00000
    100      -4.7321      1.00000
    101      -4.6774      1.00000
    102      -4.3867      1.00000
    103      -4.2028      1.00000
    104      -3.8707      1.00000
    105      -3.5460      1.00000
    106      -3.5101      1.00000
    107      -2.2551      0.00000
    108      -1.4573      0.00000
    109      -1.3697      0.00000
    110      -1.2411      0.00000
    111      -1.0977      0.00000
    112      -0.9451      0.00000
    113      -0.8637      0.00000
    114      -0.8033      0.00000
    115      -0.1385      0.00000
    116       0.1128      0.00000
    117       0.2416      0.00000
    118       0.3785      0.00000
    119       0.6622      0.00000
    120       0.8372      0.00000
    121       0.9371      0.00000
    122       1.0721      0.00000
    123       1.2445      0.00000
    124       1.4554      0.00000
    125       1.5722      0.00000
    126       1.7666      0.00000
    127       1.7928      0.00000
    128       1.8632      0.00000
    129       1.9910      0.00000
    130       2.0450      0.00000
    131       2.1860      0.00000
    132       2.1949      0.00000
    133       2.4194      0.00000
    134       2.4262      0.00000
    135       2.5008      0.00000
    136       2.6054      0.00000
    137       2.6347      0.00000
    138       2.7080      0.00000
    139       2.7847      0.00000
    140       2.8519      0.00000
    141       2.9687      0.00000
    142       3.0913      0.00000
    143       3.1785      0.00000
    144       3.2090      0.00000
    145       3.2365      0.00000
    146       3.3308      0.00000
    147       3.3311      0.00000
    148       3.4751      0.00000
    149       3.5199      0.00000
    150       3.7000      0.00000
    151       3.7243      0.00000
    152       3.7311      0.00000
    153       3.8685      0.00000
    154       3.9053      0.00000
    155       3.9566      0.00000
    156       3.9790      0.00000
    157       3.9926      0.00000
    158       4.0364      0.00000
    159       4.0568      0.00000
    160       4.0618      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2098      1.00000
      2     -22.1168      1.00000
      3     -21.9561      1.00000
      4     -21.4037      1.00000
      5     -21.0491      1.00000
      6     -21.0131      1.00000
      7     -20.5001      1.00000
      8     -20.4605      1.00000
      9     -20.2942      1.00000
     10     -20.2750      1.00000
     11     -19.9568      1.00000
     12     -19.8910      1.00000
     13     -18.8818      1.00000
     14     -18.8130      1.00000
     15     -18.3523      1.00000
     16     -18.3060      1.00000
     17     -18.1523      1.00000
     18     -18.1352      1.00000
     19     -17.8261      1.00000
     20     -17.7886      1.00000
     21     -17.2512      1.00000
     22     -17.2410      1.00000
     23     -17.1642      1.00000
     24     -17.1322      1.00000
     25     -16.1096      1.00000
     26     -15.8844      1.00000
     27     -15.8696      1.00000
     28     -15.8333      1.00000
     29     -15.2359      1.00000
     30     -14.5543      1.00000
     31     -14.5263      1.00000
     32     -14.2795      1.00000
     33     -13.9636      1.00000
     34     -13.9560      1.00000
     35     -13.8200      1.00000
     36     -13.8041      1.00000
     37     -13.6139      1.00000
     38     -13.5701      1.00000
     39     -13.3692      1.00000
     40     -12.6340      1.00000
     41     -12.1802      1.00000
     42     -12.1322      1.00000
     43     -12.0709      1.00000
     44     -12.0187      1.00000
     45     -11.6696      1.00000
     46     -11.6561      1.00000
     47     -11.1382      1.00000
     48     -11.1177      1.00000
     49     -10.7935      1.00000
     50     -10.7299      1.00000
     51     -10.5284      1.00000
     52     -10.2092      1.00000
     53     -10.2044      1.00000
     54     -10.1636      1.00000
     55     -10.0176      1.00000
     56     -10.0035      1.00000
     57      -9.9899      1.00000
     58      -9.8009      1.00000
     59      -9.7972      1.00000
     60      -9.7619      1.00000
     61      -9.7570      1.00000
     62      -9.4532      1.00000
     63      -9.4165      1.00000
     64      -9.0796      1.00000
     65      -9.0725      1.00000
     66      -9.0401      1.00000
     67      -8.9544      1.00000
     68      -8.8763      1.00000
     69      -8.7119      1.00000
     70      -8.6995      1.00000
     71      -8.5647      1.00000
     72      -8.5417      1.00000
     73      -8.4983      1.00000
     74      -8.4628      1.00000
     75      -8.4519      1.00000
     76      -8.2595      1.00000
     77      -8.1246      1.00000
     78      -8.0425      1.00000
     79      -7.9157      1.00000
     80      -7.8624      1.00000
     81      -7.6139      1.00000
     82      -7.5474      1.00000
     83      -7.4884      1.00000
     84      -7.2669      1.00000
     85      -6.9956      1.00000
     86      -6.9230      1.00000
     87      -6.8822      1.00000
     88      -6.5312      1.00000
     89      -6.4859      1.00000
     90      -6.4602      1.00000
     91      -6.4092      1.00000
     92      -5.9831      1.00000
     93      -5.8967      1.00000
     94      -5.7836      1.00000
     95      -5.7588      1.00000
     96      -5.4313      1.00000
     97      -5.3287      1.00000
     98      -5.2292      1.00000
     99      -5.2168      1.00000
    100      -5.1878      1.00000
    101      -4.6916      1.00000
    102      -4.4209      1.00000
    103      -4.2093      1.00000
    104      -3.8339      1.00000
    105      -3.5293      1.00000
    106      -3.2737      1.00000
    107      -2.5303      0.00000
    108      -1.4586      0.00000
    109      -1.2656      0.00000
    110      -1.2024      0.00000
    111      -1.1717      0.00000
    112      -0.7198      0.00000
    113      -0.5032      0.00000
    114      -0.4117      0.00000
    115      -0.3386      0.00000
    116      -0.1456      0.00000
    117      -0.0028      0.00000
    118       0.1952      0.00000
    119       0.5632      0.00000
    120       0.6131      0.00000
    121       0.8051      0.00000
    122       0.9175      0.00000
    123       1.1436      0.00000
    124       1.5082      0.00000
    125       1.6469      0.00000
    126       1.8762      0.00000
    127       1.9405      0.00000
    128       2.1085      0.00000
    129       2.1174      0.00000
    130       2.1334      0.00000
    131       2.1684      0.00000
    132       2.2807      0.00000
    133       2.3179      0.00000
    134       2.4557      0.00000
    135       2.5784      0.00000
    136       2.6677      0.00000
    137       2.8629      0.00000
    138       2.8734      0.00000
    139       2.9053      0.00000
    140       3.0212      0.00000
    141       3.0337      0.00000
    142       3.1491      0.00000
    143       3.1536      0.00000
    144       3.2360      0.00000
    145       3.2789      0.00000
    146       3.2921      0.00000
    147       3.3095      0.00000
    148       3.3549      0.00000
    149       3.4369      0.00000
    150       3.4547      0.00000
    151       3.5637      0.00000
    152       3.6235      0.00000
    153       3.6727      0.00000
    154       3.7090      0.00000
    155       3.7893      0.00000
    156       3.9045      0.00000
    157       3.9491      0.00000
    158       4.0163      0.00000
    159       4.1552      0.00000
    160       4.2398      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3166      1.00000
      2     -21.9636      1.00000
      3     -21.8914      1.00000
      4     -21.3839      1.00000
      5     -21.3474      1.00000
      6     -20.8387      1.00000
      7     -20.7723      1.00000
      8     -20.6242      1.00000
      9     -20.0889      1.00000
     10     -20.0602      1.00000
     11     -19.7177      1.00000
     12     -19.6888      1.00000
     13     -19.0091      1.00000
     14     -18.9780      1.00000
     15     -18.6491      1.00000
     16     -18.6164      1.00000
     17     -18.4598      1.00000
     18     -17.6599      1.00000
     19     -17.6458      1.00000
     20     -17.6097      1.00000
     21     -17.5771      1.00000
     22     -17.1366      1.00000
     23     -17.0967      1.00000
     24     -16.9651      1.00000
     25     -16.0076      1.00000
     26     -15.9226      1.00000
     27     -15.5979      1.00000
     28     -15.5745      1.00000
     29     -15.2793      1.00000
     30     -14.8759      1.00000
     31     -14.8289      1.00000
     32     -14.5737      1.00000
     33     -14.5361      1.00000
     34     -14.1635      1.00000
     35     -14.1593      1.00000
     36     -13.1615      1.00000
     37     -13.0948      1.00000
     38     -13.0221      1.00000
     39     -13.0176      1.00000
     40     -12.7170      1.00000
     41     -12.6937      1.00000
     42     -12.3400      1.00000
     43     -12.3127      1.00000
     44     -11.6312      1.00000
     45     -11.6221      1.00000
     46     -11.5696      1.00000
     47     -10.9403      1.00000
     48     -10.9222      1.00000
     49     -10.6684      1.00000
     50     -10.5888      1.00000
     51     -10.5723      1.00000
     52     -10.5007      1.00000
     53     -10.4880      1.00000
     54     -10.4380      1.00000
     55     -10.3549      1.00000
     56     -10.1029      1.00000
     57      -9.8968      1.00000
     58      -9.6073      1.00000
     59      -9.5501      1.00000
     60      -9.4533      1.00000
     61      -9.4182      1.00000
     62      -9.4082      1.00000
     63      -9.3782      1.00000
     64      -9.3709      1.00000
     65      -9.2666      1.00000
     66      -9.1650      1.00000
     67      -9.1408      1.00000
     68      -9.1154      1.00000
     69      -8.8656      1.00000
     70      -8.8595      1.00000
     71      -8.8016      1.00000
     72      -8.5955      1.00000
     73      -8.5258      1.00000
     74      -8.1928      1.00000
     75      -8.1699      1.00000
     76      -8.0749      1.00000
     77      -7.8563      1.00000
     78      -7.8361      1.00000
     79      -7.8226      1.00000
     80      -7.7098      1.00000
     81      -7.6951      1.00000
     82      -7.5962      1.00000
     83      -7.5291      1.00000
     84      -7.3492      1.00000
     85      -7.1665      1.00000
     86      -6.9050      1.00000
     87      -6.8948      1.00000
     88      -6.5916      1.00000
     89      -6.5503      1.00000
     90      -6.4046      1.00000
     91      -6.3013      1.00000
     92      -6.2466      1.00000
     93      -6.2011      1.00000
     94      -6.0031      1.00000
     95      -5.5311      1.00000
     96      -5.4645      1.00000
     97      -5.3133      1.00000
     98      -5.2087      1.00000
     99      -5.0462      1.00000
    100      -4.7229      1.00000
    101      -4.6711      1.00000
    102      -4.4233      1.00000
    103      -4.1944      1.00000
    104      -3.8425      1.00000
    105      -3.6342      1.00000
    106      -3.4157      1.00000
    107      -2.2925      0.00000
    108      -1.5097      0.00000
    109      -1.2696      0.00000
    110      -1.2619      0.00000
    111      -1.0340      0.00000
    112      -0.9762      0.00000
    113      -0.8676      0.00000
    114      -0.7991      0.00000
    115      -0.2609      0.00000
    116       0.2043      0.00000
    117       0.2399      0.00000
    118       0.3616      0.00000
    119       0.7006      0.00000
    120       0.8956      0.00000
    121       0.9252      0.00000
    122       1.0484      0.00000
    123       1.1768      0.00000
    124       1.5181      0.00000
    125       1.5791      0.00000
    126       1.7182      0.00000
    127       1.7803      0.00000
    128       1.8298      0.00000
    129       1.9536      0.00000
    130       2.0066      0.00000
    131       2.1749      0.00000
    132       2.2825      0.00000
    133       2.4213      0.00000
    134       2.4356      0.00000
    135       2.4965      0.00000
    136       2.6026      0.00000
    137       2.6190      0.00000
    138       2.7125      0.00000
    139       2.7632      0.00000
    140       2.8799      0.00000
    141       3.0500      0.00000
    142       3.0905      0.00000
    143       3.1768      0.00000
    144       3.2257      0.00000
    145       3.2399      0.00000
    146       3.3045      0.00000
    147       3.3595      0.00000
    148       3.4623      0.00000
    149       3.5381      0.00000
    150       3.7015      0.00000
    151       3.7207      0.00000
    152       3.7560      0.00000
    153       3.8365      0.00000
    154       3.8887      0.00000
    155       3.9433      0.00000
    156       3.9835      0.00000
    157       3.9971      0.00000
    158       4.0237      0.00000
    159       4.0409      0.00000
    160       4.0835      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3888      1.00000
      2     -21.8300      1.00000
      3     -21.6407      1.00000
      4     -21.6057      1.00000
      5     -21.2780      1.00000
      6     -21.2310      1.00000
      7     -21.0556      1.00000
      8     -20.1706      1.00000
      9     -20.1245      1.00000
     10     -19.6166      1.00000
     11     -19.5898      1.00000
     12     -19.4147      1.00000
     13     -19.0940      1.00000
     14     -19.0553      1.00000
     15     -19.0509      1.00000
     16     -19.0376      1.00000
     17     -18.3663      1.00000
     18     -18.3461      1.00000
     19     -18.0156      1.00000
     20     -17.0715      1.00000
     21     -17.0227      1.00000
     22     -16.9490      1.00000
     23     -16.9349      1.00000
     24     -16.4740      1.00000
     25     -16.4625      1.00000
     26     -15.6090      1.00000
     27     -15.6085      1.00000
     28     -15.2495      1.00000
     29     -15.2368      1.00000
     30     -15.1900      1.00000
     31     -15.1002      1.00000
     32     -15.0668      1.00000
     33     -14.6980      1.00000
     34     -14.6966      1.00000
     35     -13.7247      1.00000
     36     -13.7242      1.00000
     37     -13.2337      1.00000
     38     -12.6233      1.00000
     39     -12.5786      1.00000
     40     -12.4535      1.00000
     41     -12.4479      1.00000
     42     -12.1050      1.00000
     43     -12.0995      1.00000
     44     -11.7215      1.00000
     45     -11.6829      1.00000
     46     -11.2449      1.00000
     47     -11.2237      1.00000
     48     -11.0164      1.00000
     49     -11.0044      1.00000
     50     -10.9274      1.00000
     51     -10.8988      1.00000
     52     -10.6364      1.00000
     53     -10.1709      1.00000
     54     -10.1480      1.00000
     55     -10.0828      1.00000
     56      -9.9912      1.00000
     57      -9.6953      1.00000
     58      -9.6890      1.00000
     59      -9.6694      1.00000
     60      -9.5908      1.00000
     61      -9.5673      1.00000
     62      -9.5528      1.00000
     63      -9.3114      1.00000
     64      -9.2986      1.00000
     65      -9.2821      1.00000
     66      -9.2433      1.00000
     67      -9.1211      1.00000
     68      -9.1110      1.00000
     69      -9.1095      1.00000
     70      -8.9385      1.00000
     71      -8.8757      1.00000
     72      -8.6047      1.00000
     73      -8.5866      1.00000
     74      -8.2702      1.00000
     75      -8.0994      1.00000
     76      -7.8681      1.00000
     77      -7.8426      1.00000
     78      -7.7897      1.00000
     79      -7.7636      1.00000
     80      -7.7541      1.00000
     81      -7.4465      1.00000
     82      -7.3334      1.00000
     83      -7.3212      1.00000
     84      -7.2650      1.00000
     85      -7.1615      1.00000
     86      -7.0157      1.00000
     87      -6.9852      1.00000
     88      -6.7166      1.00000
     89      -6.6896      1.00000
     90      -6.6307      1.00000
     91      -6.5894      1.00000
     92      -6.1154      1.00000
     93      -6.0588      1.00000
     94      -6.0437      1.00000
     95      -6.0288      1.00000
     96      -5.7471      1.00000
     97      -4.9742      1.00000
     98      -4.8389      1.00000
     99      -4.7082      1.00000
    100      -4.6730      1.00000
    101      -4.4831      1.00000
    102      -4.3522      1.00000
    103      -4.1109      1.00000
    104      -4.0550      1.00000
    105      -3.7545      1.00000
    106      -3.4652      1.00000
    107      -1.9516      0.00000
    108      -1.7707      0.00000
    109      -1.4795      0.00000
    110      -1.3552      0.00000
    111      -1.3350      0.00000
    112      -1.2912      0.00000
    113      -0.6772      0.00000
    114      -0.4713      0.00000
    115      -0.2358      0.00000
    116       0.0529      0.00000
    117       0.5986      0.00000
    118       0.6919      0.00000
    119       0.7708      0.00000
    120       1.0253      0.00000
    121       1.0976      0.00000
    122       1.1808      0.00000
    123       1.2545      0.00000
    124       1.3436      0.00000
    125       1.4471      0.00000
    126       1.6170      0.00000
    127       1.7485      0.00000
    128       1.8468      0.00000
    129       1.8567      0.00000
    130       1.8935      0.00000
    131       2.0418      0.00000
    132       2.2271      0.00000
    133       2.2519      0.00000
    134       2.3061      0.00000
    135       2.4856      0.00000
    136       2.6041      0.00000
    137       2.6417      0.00000
    138       2.7766      0.00000
    139       2.7877      0.00000
    140       2.8316      0.00000
    141       2.8398      0.00000
    142       2.8520      0.00000
    143       2.9245      0.00000
    144       3.1113      0.00000
    145       3.3189      0.00000
    146       3.3407      0.00000
    147       3.3804      0.00000
    148       3.4075      0.00000
    149       3.4305      0.00000
    150       3.5910      0.00000
    151       3.6331      0.00000
    152       3.6829      0.00000
    153       3.7400      0.00000
    154       3.9038      0.00000
    155       3.9355      0.00000
    156       3.9551      0.00000
    157       4.1077      0.00000
    158       4.2135      0.00000
    159       4.2644      0.00000
    160       4.2879      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2089      1.00000
      2     -22.1181      1.00000
      3     -21.9558      1.00000
      4     -21.4039      1.00000
      5     -21.0452      1.00000
      6     -21.0169      1.00000
      7     -20.4951      1.00000
      8     -20.4653      1.00000
      9     -20.2852      1.00000
     10     -20.2833      1.00000
     11     -19.9559      1.00000
     12     -19.8928      1.00000
     13     -18.8827      1.00000
     14     -18.8151      1.00000
     15     -18.3369      1.00000
     16     -18.3174      1.00000
     17     -18.1483      1.00000
     18     -18.1407      1.00000
     19     -17.8149      1.00000
     20     -17.7966      1.00000
     21     -17.2573      1.00000
     22     -17.2378      1.00000
     23     -17.1593      1.00000
     24     -17.1349      1.00000
     25     -16.1148      1.00000
     26     -15.8800      1.00000
     27     -15.8689      1.00000
     28     -15.8397      1.00000
     29     -15.2303      1.00000
     30     -14.5504      1.00000
     31     -14.5321      1.00000
     32     -14.2751      1.00000
     33     -13.9736      1.00000
     34     -13.9499      1.00000
     35     -13.8234      1.00000
     36     -13.8014      1.00000
     37     -13.6036      1.00000
     38     -13.5780      1.00000
     39     -13.3689      1.00000
     40     -12.6372      1.00000
     41     -12.1686      1.00000
     42     -12.1420      1.00000
     43     -12.0677      1.00000
     44     -12.0207      1.00000
     45     -11.6632      1.00000
     46     -11.6586      1.00000
     47     -11.1363      1.00000
     48     -11.1254      1.00000
     49     -10.7905      1.00000
     50     -10.7342      1.00000
     51     -10.5351      1.00000
     52     -10.2069      1.00000
     53     -10.2009      1.00000
     54     -10.1693      1.00000
     55     -10.0215      1.00000
     56      -9.9931      1.00000
     57      -9.9888      1.00000
     58      -9.8038      1.00000
     59      -9.7946      1.00000
     60      -9.7635      1.00000
     61      -9.7561      1.00000
     62      -9.4546      1.00000
     63      -9.4165      1.00000
     64      -9.0834      1.00000
     65      -9.0445      1.00000
     66      -9.0244      1.00000
     67      -8.9701      1.00000
     68      -8.8970      1.00000
     69      -8.7067      1.00000
     70      -8.6978      1.00000
     71      -8.5603      1.00000
     72      -8.5496      1.00000
     73      -8.4770      1.00000
     74      -8.4589      1.00000
     75      -8.4559      1.00000
     76      -8.3077      1.00000
     77      -8.0941      1.00000
     78      -8.0883      1.00000
     79      -7.9248      1.00000
     80      -7.8306      1.00000
     81      -7.6000      1.00000
     82      -7.5376      1.00000
     83      -7.4419      1.00000
     84      -7.3134      1.00000
     85      -6.9919      1.00000
     86      -6.9175      1.00000
     87      -6.8800      1.00000
     88      -6.5284      1.00000
     89      -6.5143      1.00000
     90      -6.4809      1.00000
     91      -6.4196      1.00000
     92      -5.9261      1.00000
     93      -5.9046      1.00000
     94      -5.7881      1.00000
     95      -5.7738      1.00000
     96      -5.3688      1.00000
     97      -5.3620      1.00000
     98      -5.2198      1.00000
     99      -5.2146      1.00000
    100      -5.1977      1.00000
    101      -4.7198      1.00000
    102      -4.4419      1.00000
    103      -4.1905      1.00000
    104      -3.8202      1.00000
    105      -3.5656      1.00000
    106      -3.2204      1.00000
    107      -2.5626      0.00000
    108      -1.4637      0.00000
    109      -1.2655      0.00000
    110      -1.1852      0.00000
    111      -1.1836      0.00000
    112      -0.6445      0.00000
    113      -0.5507      0.00000
    114      -0.4146      0.00000
    115      -0.3471      0.00000
    116      -0.0766      0.00000
    117      -0.0622      0.00000
    118       0.1275      0.00000
    119       0.5929      0.00000
    120       0.6277      0.00000
    121       0.8655      0.00000
    122       0.9968      0.00000
    123       1.0121      0.00000
    124       1.5026      0.00000
    125       1.6954      0.00000
    126       1.7935      0.00000
    127       1.8787      0.00000
    128       2.1051      0.00000
    129       2.1292      0.00000
    130       2.1794      0.00000
    131       2.2104      0.00000
    132       2.2501      0.00000
    133       2.3343      0.00000
    134       2.4905      0.00000
    135       2.5046      0.00000
    136       2.6793      0.00000
    137       2.8533      0.00000
    138       2.8623      0.00000
    139       2.9653      0.00000
    140       3.0101      0.00000
    141       3.0493      0.00000
    142       3.1470      0.00000
    143       3.1597      0.00000
    144       3.2537      0.00000
    145       3.2575      0.00000
    146       3.2842      0.00000
    147       3.3119      0.00000
    148       3.3642      0.00000
    149       3.4294      0.00000
    150       3.5617      0.00000
    151       3.5754      0.00000
    152       3.6567      0.00000
    153       3.6595      0.00000
    154       3.6756      0.00000
    155       3.7095      0.00000
    156       3.9076      0.00000
    157       3.9670      0.00000
    158       4.0509      0.00000
    159       4.0994      0.00000
    160       4.2043      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2824      1.00000
      2     -22.0778      1.00000
      3     -21.7195      1.00000
      4     -21.6803      1.00000
      5     -20.9820      1.00000
      6     -20.9342      1.00000
      7     -20.6104      1.00000
      8     -20.5783      1.00000
      9     -20.5648      1.00000
     10     -20.0313      1.00000
     11     -19.5130      1.00000
     12     -19.4824      1.00000
     13     -19.3109      1.00000
     14     -19.2974      1.00000
     15     -18.4487      1.00000
     16     -18.4055      1.00000
     17     -17.9270      1.00000
     18     -17.9062      1.00000
     19     -17.7650      1.00000
     20     -17.7200      1.00000
     21     -17.4410      1.00000
     22     -17.4221      1.00000
     23     -17.3372      1.00000
     24     -16.4702      1.00000
     25     -16.4604      1.00000
     26     -15.9688      1.00000
     27     -15.4106      1.00000
     28     -15.4094      1.00000
     29     -15.0953      1.00000
     30     -15.0925      1.00000
     31     -14.8528      1.00000
     32     -14.8398      1.00000
     33     -14.2967      1.00000
     34     -14.2525      1.00000
     35     -13.4432      1.00000
     36     -13.3988      1.00000
     37     -13.1749      1.00000
     38     -13.1730      1.00000
     39     -12.9842      1.00000
     40     -12.9751      1.00000
     41     -12.6105      1.00000
     42     -12.6079      1.00000
     43     -12.1951      1.00000
     44     -11.5795      1.00000
     45     -11.5383      1.00000
     46     -11.3132      1.00000
     47     -11.2829      1.00000
     48     -11.1403      1.00000
     49     -10.6923      1.00000
     50     -10.6623      1.00000
     51     -10.5464      1.00000
     52     -10.3209      1.00000
     53     -10.3130      1.00000
     54     -10.1746      1.00000
     55     -10.1207      1.00000
     56     -10.1078      1.00000
     57      -9.8103      1.00000
     58      -9.7509      1.00000
     59      -9.7508      1.00000
     60      -9.7005      1.00000
     61      -9.6971      1.00000
     62      -9.6457      1.00000
     63      -9.3511      1.00000
     64      -9.3498      1.00000
     65      -9.3182      1.00000
     66      -9.0270      1.00000
     67      -8.9602      1.00000
     68      -8.9568      1.00000
     69      -8.7743      1.00000
     70      -8.5922      1.00000
     71      -8.5875      1.00000
     72      -8.4228      1.00000
     73      -8.3486      1.00000
     74      -8.3221      1.00000
     75      -8.3015      1.00000
     76      -8.2651      1.00000
     77      -8.2545      1.00000
     78      -8.2393      1.00000
     79      -7.9203      1.00000
     80      -7.7328      1.00000
     81      -7.3780      1.00000
     82      -7.3477      1.00000
     83      -7.3226      1.00000
     84      -7.2152      1.00000
     85      -7.1592      1.00000
     86      -7.0641      1.00000
     87      -6.9596      1.00000
     88      -6.9041      1.00000
     89      -6.6144      1.00000
     90      -6.5544      1.00000
     91      -6.2721      1.00000
     92      -5.9956      1.00000
     93      -5.9587      1.00000
     94      -5.6744      1.00000
     95      -5.6477      1.00000
     96      -5.3865      1.00000
     97      -5.3145      1.00000
     98      -5.2932      1.00000
     99      -5.2111      1.00000
    100      -5.1994      1.00000
    101      -4.5111      1.00000
    102      -4.3388      1.00000
    103      -3.9956      1.00000
    104      -3.8854      1.00000
    105      -3.7924      1.00000
    106      -3.4429      1.00000
    107      -2.0355      0.00000
    108      -1.8628      0.00000
    109      -1.2176      0.00000
    110      -1.1823      0.00000
    111      -1.0359      0.00000
    112      -0.7722      0.00000
    113      -0.6766      0.00000
    114      -0.6599      0.00000
    115      -0.6087      0.00000
    116      -0.1004      0.00000
    117       0.2234      0.00000
    118       0.2414      0.00000
    119       0.7809      0.00000
    120       0.9935      0.00000
    121       1.0759      0.00000
    122       1.2442      0.00000
    123       1.2534      0.00000
    124       1.3507      0.00000
    125       1.5836      0.00000
    126       1.5850      0.00000
    127       1.7229      0.00000
    128       1.7986      0.00000
    129       1.9612      0.00000
    130       1.9859      0.00000
    131       2.0525      0.00000
    132       2.2619      0.00000
    133       2.3427      0.00000
    134       2.4318      0.00000
    135       2.5584      0.00000
    136       2.6368      0.00000
    137       2.7287      0.00000
    138       2.7966      0.00000
    139       2.8560      0.00000
    140       2.8719      0.00000
    141       3.0500      0.00000
    142       3.1127      0.00000
    143       3.1720      0.00000
    144       3.2298      0.00000
    145       3.3790      0.00000
    146       3.4207      0.00000
    147       3.5163      0.00000
    148       3.5614      0.00000
    149       3.5935      0.00000
    150       3.6134      0.00000
    151       3.6592      0.00000
    152       3.7444      0.00000
    153       3.7570      0.00000
    154       3.7644      0.00000
    155       3.7797      0.00000
    156       3.8783      0.00000
    157       4.0235      0.00000
    158       4.1010      0.00000
    159       4.1820      0.00000
    160       4.2255      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0424   -7.3899    4.1986   -1.2758   -0.2386   17.5934    0.1478   -0.5325    0.6340   -0.4649
x    -3.0921   -0.0374   -0.0631    0.0617   -0.0091   -2.9774   -0.0110   -0.0070    0.0049    0.0016
x    -0.0965    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0424    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0942   -0.0088    0.0374    0.0376
y    -0.0457   -3.2474   -0.5378   -0.1638   -1.1793   -0.6054
z   204.0424    1.1245   -0.2802    0.0407    0.0091    0.0617    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0777    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1559
z    -0.2837    0.1868   -0.0387    0.0472   -0.1052    0.0013
 total charge-density along one line
x   212.0000  -10.2202    6.1466   -2.0857   -0.4744   19.5104   -0.9955    0.4741   -0.0447   -0.1262
x    -2.6451   -0.0277   -0.0610    0.0846   -0.0532   -2.2246   -0.0250   -0.0026    0.0052    0.0021
x    -0.0895    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2202    6.1466   -2.0857   -0.4744   19.5104   -0.9955    0.4741   -0.0447   -0.1262
y    -2.6451   -0.0277   -0.0610    0.0846   -0.0532   -2.2246   -0.0250   -0.0026    0.0052    0.0021
y    -0.0895    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4943  189.2965 -170.3691  153.6439 -139.4212  125.4113 -110.0964   93.9521  -78.3418
z    64.1362  -51.4866   40.4228  -31.2169   24.1193  -18.9358   15.0234  -11.7130    8.7114   -6.1186
z     4.1291   -2.7574    1.8203   -1.1101    0.5391   -0.1264   -0.1118    0.2282   -0.3094    0.3999
z    -0.4765    0.4933   -0.4403    0.3552   -0.2862    0.2512   -0.2333    0.2086   -0.1709    0.1317
z    -0.1037    0.0880   -0.0768    0.0637   -0.0491    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.031   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.158   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.415   0.000   0.077   0.585  -0.239   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.368  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.031   0.000   0.010   0.082   0.000  -0.239   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.264   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.262   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.645
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.645
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.647
 40        0.863   1.785   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.867  89.426   8.029 142.322
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time   89.67: CPU time   45.20
    FORLOC:  VPU time    1.09: CPU time    1.09
    FORNL :  VPU time  361.96: CPU time  181.31
    STRESS:  VPU time 1088.95: CPU time  547.04
    FORCOR:  VPU time    7.42: CPU time    7.42
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.14: CPU time    0.14
 d Force = 0.2332581E-06[ 0.225E-06, 0.241E-06]  d Energy =-0.2720826E-06 0.505E-06
 d Force =-0.1546646E-01[-0.155E-01,-0.155E-01]  d Ewald  = 0.4499137E+00-0.465E+00


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726373 eV

  energy  without entropy=     -471.726373  energy(sigma->0) =     -471.726373
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40839.76  40794.81 -47538.43    -38.92      0.00      0.00
  Hartree  40264.36  40245.33 -39523.10    -16.48      0.00      0.00
  E(xc)     -779.44   -779.73   -807.37     -0.25      0.00      0.00
  Local   -83388.23 -83333.16  84376.32     47.69      0.00      0.00
  n-local   -216.81   -215.67   -203.37      0.71      0.00      0.00
  augment     20.06     22.05     17.81      1.72      0.00      0.00
  Kinetic   3162.45   3175.99   3583.95      3.38      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.18     -0.18     -0.26      0.00      0.00      0.00
  in kB       -0.11     -0.11     -0.16      0.00      0.00      0.00
  external pressure =       -0.12 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345690011  0.001026813  0.000000000     0.080996039  0.046754171  0.000000000
    -6.171962402 10.692190662  0.000000000    -0.000007778  0.093521714  0.000000000
     0.000000000  0.000000000 19.983983152     0.000000000  0.000000000  0.050040074

  length of vectors
    12.345690054 12.345689978 19.983983152     0.093521713  0.093521714  0.050040074


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.474E-05 -.490E-04 -.952E+03   0.450E-05 -.278E-04 0.960E+03   0.678E-20 -.339E-20 -.868E+01   -.123E-07 0.803E-08 -.393E-02
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   0.805E-04 -.472E-04 -.482E-03
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   -.805E-04 0.472E-04 -.482E-03
   -.209E+01 0.121E+01 0.163E+02   0.210E+01 -.121E+01 -.163E+02   -.261E-02 0.150E-02 -.239E-01   -.242E-03 0.137E-03 0.210E-03
   0.619E+01 0.680E+01 0.194E+02   -.619E+01 -.681E+01 -.193E+02   0.505E-03 0.239E-01 -.273E-01   0.750E-04 -.230E-03 0.223E-03
   0.112E+02 0.512E+01 0.161E+02   -.112E+02 -.513E+01 -.161E+02   0.223E-01 0.557E-02 -.482E-01   -.272E-05 0.178E-03 0.175E-03
   0.472E+01 -.884E+00 0.126E+02   -.473E+01 0.891E+00 -.125E+02   0.163E-01 -.899E-02 -.183E-01   -.688E-04 0.349E-04 0.833E-04
   -.309E+01 -.252E+01 0.126E+02   0.310E+01 0.251E+01 -.126E+02   0.259E-02 0.623E-03 -.130E-01   -.142E-03 0.101E-03 0.150E-03
   0.631E+00 0.394E+01 0.126E+02   -.626E+00 -.394E+01 -.126E+02   0.753E-03 -.255E-02 -.130E-01   -.164E-03 0.658E-04 0.147E-03
   0.244E+01 0.189E+02 0.240E+02   -.244E+01 -.190E+02 -.240E+02   -.112E-02 0.101E+00 -.484E-01   0.899E-04 0.396E-03 0.235E-03
   0.226E+02 0.214E+02 0.422E+02   -.227E+02 -.217E+02 -.422E+02   0.839E-01 0.260E+00 -.608E-01   -.412E-03 0.210E-03 0.289E-03
   0.268E+02 -.345E+01 0.257E+02   -.271E+02 0.356E+01 -.256E+02   0.267E+00 -.110E+00 -.334E-01   0.101E-03 -.527E-04 0.232E-03
   0.916E+01 -.529E+01 0.136E+02   -.920E+01 0.531E+01 -.136E+02   0.427E-01 -.246E-01 -.119E-01   0.868E-05 -.114E-04 0.176E-03
   0.312E+01 -.364E+01 0.126E+02   -.314E+01 0.365E+01 -.125E+02   0.159E-01 -.960E-02 -.183E-01   -.668E-04 0.379E-04 0.757E-04
   -.594E+01 0.136E+02 0.161E+02   0.595E+01 -.137E+02 -.161E+02   0.868E-04 0.723E-01 -.516E-01   -.215E-03 -.750E-06 0.156E-03
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.281E-01 0.613E+00 0.294E+00   -.977E-04 -.308E-04 0.237E-03
   0.237E+02 -.137E+02 0.941E+02   -.243E+02 0.140E+02 -.962E+02   0.640E+00 -.370E+00 0.205E+01   -.509E-04 0.267E-04 0.280E-03
   0.164E+02 -.215E+02 0.257E+02   -.166E+02 0.217E+02 -.256E+02   0.228E+00 -.176E+00 -.334E-01   0.938E-04 -.688E-04 0.227E-03
   0.116E+01 -.123E+02 0.161E+02   -.116E+01 0.123E+02 -.161E+02   0.633E-02 -.221E-01 -.482E-01   -.153E-03 -.880E-04 0.170E-03
   -.416E+01 0.193E+01 0.116E+02   0.417E+01 -.194E+01 -.116E+02   0.171E-02 0.832E-02 -.439E-01   -.149E-03 0.688E-04 0.124E-03
   -.193E+02 0.111E+02 0.218E+02   0.193E+02 -.112E+02 -.217E+02   -.527E-01 0.304E-01 -.427E-01   -.685E-04 0.433E-04 0.255E-03
   -.373E+02 -.786E+01 0.478E+02   0.379E+02 0.814E+01 -.481E+02   -.545E+00 -.282E+00 0.294E+00   -.188E-04 0.993E-04 0.240E-03
   -.724E+01 -.303E+02 0.422E+02   0.743E+01 0.305E+02 -.422E+02   -.183E+00 -.203E+00 -.608E-01   -.384E-03 0.247E-03 0.287E-03
   -.279E+01 -.876E+01 0.194E+02   0.280E+01 0.877E+01 -.193E+02   -.205E-01 -.124E-01 -.273E-01   0.239E-03 0.481E-04 0.222E-03
   0.137E+01 -.789E+00 0.135E+02   -.136E+01 0.788E+00 -.134E+02   0.461E-02 -.266E-02 -.178E-01   -.152E-03 0.897E-04 0.176E-03
   -.375E+01 0.264E+01 0.116E+02   0.376E+01 -.264E+01 -.116E+02   -.635E-02 -.564E-02 -.439E-01   -.132E-03 0.994E-04 0.128E-03
   -.148E+02 -.166E+01 0.161E+02   0.148E+02 0.170E+01 -.161E+02   -.626E-01 -.362E-01 -.516E-01   -.105E-03 0.185E-03 0.163E-03
   -.152E+02 -.116E+02 0.240E+02   0.153E+02 0.116E+02 -.240E+02   -.878E-01 -.494E-01 -.484E-01   -.296E-03 -.281E-03 0.237E-03
   0.279E+01 0.876E+01 0.194E+02   -.280E+01 -.877E+01 -.193E+02   0.205E-01 0.124E-01 -.273E-01   -.238E-03 -.481E-04 0.222E-03
   0.152E+02 0.116E+02 0.240E+02   -.153E+02 -.116E+02 -.240E+02   0.878E-01 0.494E-01 -.484E-01   0.296E-03 0.281E-03 0.237E-03
   0.148E+02 0.166E+01 0.161E+02   -.148E+02 -.170E+01 -.161E+02   0.626E-01 0.362E-01 -.516E-01   0.105E-03 -.185E-03 0.163E-03
   0.375E+01 -.264E+01 0.116E+02   -.376E+01 0.264E+01 -.116E+02   0.635E-02 0.564E-02 -.439E-01   0.132E-03 -.994E-04 0.128E-03
   -.137E+01 0.789E+00 0.135E+02   0.136E+01 -.788E+00 -.134E+02   -.461E-02 0.266E-02 -.178E-01   0.152E-03 -.897E-04 0.176E-03
   -.116E+01 0.123E+02 0.161E+02   0.116E+01 -.123E+02 -.161E+02   -.633E-02 0.221E-01 -.482E-01   0.153E-03 0.880E-04 0.170E-03
   0.724E+01 0.303E+02 0.422E+02   -.743E+01 -.305E+02 -.422E+02   0.183E+00 0.203E+00 -.608E-01   0.384E-03 -.247E-03 0.287E-03
   0.373E+02 0.786E+01 0.478E+02   -.379E+02 -.814E+01 -.481E+02   0.545E+00 0.282E+00 0.294E+00   0.188E-04 -.993E-04 0.240E-03
   0.193E+02 -.111E+02 0.218E+02   -.193E+02 0.112E+02 -.217E+02   0.527E-01 -.304E-01 -.427E-01   0.685E-04 -.433E-04 0.255E-03
   0.416E+01 -.193E+01 0.116E+02   -.417E+01 0.194E+01 -.116E+02   -.171E-02 -.832E-02 -.439E-01   0.149E-03 -.689E-04 0.124E-03
   -.312E+01 0.364E+01 0.126E+02   0.314E+01 -.365E+01 -.125E+02   -.159E-01 0.960E-02 -.183E-01   0.668E-04 -.379E-04 0.757E-04
   -.164E+02 0.215E+02 0.257E+02   0.166E+02 -.217E+02 -.256E+02   -.228E+00 0.176E+00 -.334E-01   -.938E-04 0.688E-04 0.227E-03
   -.237E+02 0.137E+02 0.941E+02   0.243E+02 -.140E+02 -.962E+02   -.640E+00 0.370E+00 0.205E+01   0.509E-04 -.267E-04 0.280E-03
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.281E-01 -.613E+00 0.294E+00   0.977E-04 0.308E-04 0.237E-03
   0.594E+01 -.136E+02 0.161E+02   -.595E+01 0.137E+02 -.161E+02   -.868E-04 -.723E-01 -.516E-01   0.215E-03 0.743E-06 0.156E-03
   -.631E+00 -.394E+01 0.126E+02   0.626E+00 0.394E+01 -.126E+02   -.753E-03 0.255E-02 -.130E-01   0.164E-03 -.659E-04 0.147E-03
   -.916E+01 0.529E+01 0.136E+02   0.920E+01 -.531E+01 -.136E+02   -.427E-01 0.246E-01 -.119E-01   -.868E-05 0.114E-04 0.176E-03
   -.268E+02 0.345E+01 0.257E+02   0.271E+02 -.356E+01 -.256E+02   -.267E+00 0.110E+00 -.334E-01   -.101E-03 0.527E-04 0.232E-03
   -.226E+02 -.214E+02 0.422E+02   0.227E+02 0.217E+02 -.422E+02   -.839E-01 -.260E+00 -.608E-01   0.412E-03 -.210E-03 0.289E-03
   -.244E+01 -.189E+02 0.240E+02   0.244E+01 0.190E+02 -.240E+02   0.112E-02 -.101E+00 -.484E-01   -.899E-04 -.396E-03 0.235E-03
   0.209E+01 -.121E+01 0.163E+02   -.210E+01 0.121E+01 -.163E+02   0.261E-02 -.150E-02 -.239E-01   0.242E-03 -.137E-03 0.210E-03
   0.309E+01 0.252E+01 0.126E+02   -.310E+01 -.251E+01 -.126E+02   -.259E-02 -.623E-03 -.130E-01   0.142E-03 -.101E-03 0.150E-03
   -.472E+01 0.884E+00 0.126E+02   0.473E+01 -.892E+00 -.125E+02   -.163E-01 0.899E-02 -.183E-01   0.688E-04 -.349E-04 0.833E-04
   -.112E+02 -.512E+01 0.161E+02   0.112E+02 0.513E+01 -.161E+02   -.223E-01 -.557E-02 -.482E-01   0.273E-05 -.178E-03 0.175E-03
   -.619E+01 -.680E+01 0.194E+02   0.619E+01 0.681E+01 -.193E+02   -.505E-03 -.239E-01 -.273E-01   -.750E-04 0.230E-03 0.223E-03
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.293E-03 0.100E+02   0.684E-13 0.183E-12 0.462E-13   0.564E-16 -.451E-16 -.100E+02   -.120E-07 0.856E-08 0.490E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85235      6.05935     12.26234         0.000000      0.000000      0.026235
      1.07515      6.50807     13.52195         0.002795     -0.001614      0.007887
      2.62955      5.61064     13.52195        -0.002795      0.001614      0.007887
      0.00009     -0.00005      9.90960         0.002884     -0.001665      0.000414
     -1.23472      2.13687      9.90828        -0.002309      0.007234      0.000101
     -2.47003      4.27667      9.92829         0.003739     -0.004191     -0.000488
     -3.70366      6.41543      9.93606         0.001668     -0.001735     -0.001492
     -4.93741      8.55380      9.92655         0.005201     -0.004193     -0.000267
      2.46918      0.00005      9.92655         0.006231     -0.002408     -0.000267
      1.23402      2.13691      9.91785        -0.000768     -0.007936     -0.001057
     -0.00276      4.27108      9.93044         0.014586     -0.004641     -0.002520
     -1.23816      6.41607      9.95245        -0.004037      0.000233     -0.000766
     -2.46875      8.55414      9.93781        -0.001138      0.000657      0.000851
      4.93793      0.00077      9.93606         0.002337     -0.000577     -0.001492
      3.70426      2.13690      9.93929         0.003570      0.003361     -0.000860
      2.46999      4.26878      9.96705         0.003121      0.001332     -0.003453
      1.22924      6.41911      9.97322         0.002895     -0.001671     -0.000775
     -0.00183      8.55746      9.95245        -0.002220      0.003380     -0.000766
      7.40697      0.00180      9.92829         0.005499     -0.001143     -0.000488
      6.17268      2.13917      9.93461         0.004299     -0.002762     -0.000480
      4.93926      4.27713      9.94727        -0.003546      0.002047      0.000651
      3.71185      6.41975      9.96705         0.000407     -0.003369     -0.003453
      2.47348      8.56007      9.93044         0.011312     -0.010311     -0.002520
      9.87775      0.00188      9.90828        -0.007419     -0.001617      0.000101
      8.64193      2.13939      9.91945         0.006953     -0.004014      0.000416
      7.40750      4.27794      9.93461         0.004541     -0.002342     -0.000480
      6.17525      6.41678      9.93929        -0.001126     -0.004772     -0.000860
      4.94012      8.55607      9.91785         0.006488      0.004633     -0.001057
     -0.00108      1.42463      9.90828         0.007419      0.001617      0.000101
     -1.23541      3.56264      9.91785        -0.006488     -0.004633     -0.001057
     -2.47054      5.70192      9.93929         0.001126      0.004772     -0.000860
     -3.70279      7.84077      9.93461        -0.004541      0.002342     -0.000480
     -4.93723      9.97932      9.91945        -0.006953      0.004014      0.000416
      2.46970      1.42472      9.92829        -0.005499      0.001143     -0.000488
      1.23122      3.55864      9.93044        -0.011312      0.010311     -0.002520
     -0.00715      5.69896      9.96705        -0.000407      0.003369     -0.003453
     -1.23455      7.84158      9.94727         0.003546     -0.002047      0.000651
     -2.46797      9.97954      9.93461        -0.004299      0.002762     -0.000480
      4.93874      1.42574      9.93606        -0.002337      0.000577     -0.001492
      3.70654      3.56125      9.95245         0.002220     -0.003380     -0.000766
      2.47547      5.69960      9.97322        -0.002895      0.001671     -0.000775
      1.23471      7.84992      9.96705        -0.003121     -0.001332     -0.003453
      0.00045      9.98180      9.93929        -0.003570     -0.003361     -0.000860
      7.40749      1.42647      9.92655        -0.006231      0.002408     -0.000267
      6.17346      3.56456      9.93781         0.001138     -0.000657      0.000851
      4.94287      5.70264      9.95245         0.004037     -0.000233     -0.000766
      3.70747      7.84763      9.93044        -0.014586      0.004641     -0.002520
      2.47069      9.98179      9.91785         0.000768      0.007936     -0.001057
      9.87658      1.42657      9.90960        -0.002884      0.001665      0.000414
      8.64212      3.56491      9.92655        -0.005201      0.004193     -0.000267
      7.40837      5.70327      9.93606        -0.001668      0.001735     -0.001492
      6.17474      7.84204      9.92829        -0.003739      0.004191     -0.000488
      4.93942      9.98183      9.90828         0.002309     -0.007234      0.000101
 -----------------------------------------------------------------------------------
    total drift:                               -0.001807      0.000293      0.010115


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.68: CPU time    1.68
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.18: CPU time    1.18
    ORTHCH:  VPU time  150.11: CPU time   75.10
     LOOP+:  VPU time 4070.78: CPU time 2079.25


----------------------------------------- Iteration   21(   1)  ---------------------------------------


    POTLOK:  VPU time    7.81: CPU time    7.73
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1177.81: CPU time  603.88
 BZINTS: Fermi energy: -3.206377;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  111.64: CPU time   56.69
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1297.79: CPU time  668.78

 eigenvalue-minimisations  :  4072
 total energy-change (2. order) :-0.4717264E+03  (-0.3110021E-06)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9575959 magnetization    0.0000003

 Broyden mixing:
  rms(total) = 0.13967E-03    rms(broyden)= 0.13966E-03
  rms(prec ) = 0.18551E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34095.93119640
  -1/2 Hartree   DENC   =    -40986.64550982
  -V(xc)+E(xc)   XCENC  =       726.58081952
  PAW double counting   =      4093.65495771    -4132.00152691
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.68616416
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72637366 eV

  energy without entropy =     -471.72637366  energy(sigma->0) =     -471.72637366


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   21(   2)  ---------------------------------------


    POTLOK:  VPU time    9.00: CPU time    9.01
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1372.16: CPU time  709.91
 BZINTS: Fermi energy: -3.206682;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1381.56: CPU time  719.29

 eigenvalue-minimisations  :  4096
 total energy-change (2. order) :-0.1029912E-05  (-0.9860124E-07)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9575959 magnetization    0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34095.93119640
  -1/2 Hartree   DENC   =    -40986.61058036
  -V(xc)+E(xc)   XCENC  =       726.58017220
  PAW double counting   =      4093.64740923    -4131.99401739
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.72040837
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72637468 eV

  energy without entropy =     -471.72637468  energy(sigma->0) =     -471.72637468


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2184       2 -39.5345       3 -39.5346       4 -58.3137       5 -58.3176
       6 -58.3201       7 -58.3146       8 -58.3151       9 -58.3150      10 -58.3215
      11 -58.3877      12 -58.3515      13 -58.3230      14 -58.3146      15 -58.3245
      16 -58.5428      17 -58.7300      18 -58.3515      19 -58.3201      20 -58.3199
      21 -58.3577      22 -58.5428      23 -58.3877      24 -58.3177      25 -58.3229
      26 -58.3199      27 -58.3245      28 -58.3215      29 -58.3175      30 -58.3214
      31 -58.3243      32 -58.3198      33 -58.3228      34 -58.3200      35 -58.3876
      36 -58.5427      37 -58.3576      38 -58.3198      39 -58.3145      40 -58.3514
      41 -58.7298      42 -58.5428      43 -58.3244      44 -58.3150      45 -58.3229
      46 -58.3514      47 -58.3876      48 -58.3214      49 -58.3136      50 -58.3149
      51 -58.3145      52 -58.3200      53 -58.3175
 
 
 
 E-fermi :  -3.2067     XC(G=0):  -2.3400     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4257      1.00000
      2     -21.6027      1.00000
      3     -21.4808      1.00000
      4     -21.4718      1.00000
      5     -21.4402      1.00000
      6     -21.4395      1.00000
      7     -21.4291      1.00000
      8     -19.7071      1.00000
      9     -19.6519      1.00000
     10     -19.6287      1.00000
     11     -19.6178      1.00000
     12     -19.6127      1.00000
     13     -19.6111      1.00000
     14     -18.7897      1.00000
     15     -18.7538      1.00000
     16     -18.7340      1.00000
     17     -18.7246      1.00000
     18     -18.7171      1.00000
     19     -18.7127      1.00000
     20     -16.6342      1.00000
     21     -16.6083      1.00000
     22     -16.5843      1.00000
     23     -16.5810      1.00000
     24     -16.5536      1.00000
     25     -16.5522      1.00000
     26     -15.6135      1.00000
     27     -15.6023      1.00000
     28     -15.5985      1.00000
     29     -15.5639      1.00000
     30     -15.5623      1.00000
     31     -15.5601      1.00000
     32     -14.2588      1.00000
     33     -14.2496      1.00000
     34     -14.2405      1.00000
     35     -14.2357      1.00000
     36     -14.2213      1.00000
     37     -14.2187      1.00000
     38     -11.9054      1.00000
     39     -11.8788      1.00000
     40     -11.8682      1.00000
     41     -11.8645      1.00000
     42     -11.8439      1.00000
     43     -11.8438      1.00000
     44     -11.7701      1.00000
     45     -11.7682      1.00000
     46     -11.7342      1.00000
     47     -11.7280      1.00000
     48     -11.7250      1.00000
     49     -11.7213      1.00000
     50     -10.6755      1.00000
     51     -10.3874      1.00000
     52     -10.3834      1.00000
     53     -10.3762      1.00000
     54     -10.3674      1.00000
     55     -10.3554      1.00000
     56     -10.3528      1.00000
     57      -9.9035      1.00000
     58      -9.4498      1.00000
     59      -9.4046      1.00000
     60      -9.3616      1.00000
     61      -9.3610      1.00000
     62      -9.3530      1.00000
     63      -9.1413      1.00000
     64      -9.1229      1.00000
     65      -9.1202      1.00000
     66      -9.0850      1.00000
     67      -9.0707      1.00000
     68      -9.0697      1.00000
     69      -9.0688      1.00000
     70      -9.0643      1.00000
     71      -9.0638      1.00000
     72      -9.0378      1.00000
     73      -9.0275      1.00000
     74      -9.0257      1.00000
     75      -8.1290      1.00000
     76      -7.7459      1.00000
     77      -7.4695      1.00000
     78      -7.4654      1.00000
     79      -7.4532      1.00000
     80      -7.4339      1.00000
     81      -7.4237      1.00000
     82      -7.4052      1.00000
     83      -7.3119      1.00000
     84      -7.2704      1.00000
     85      -7.2567      1.00000
     86      -7.2478      1.00000
     87      -7.1492      1.00000
     88      -7.0480      1.00000
     89      -6.4455      1.00000
     90      -6.4150      1.00000
     91      -6.3995      1.00000
     92      -6.3627      1.00000
     93      -6.3524      1.00000
     94      -6.3397      1.00000
     95      -5.9597      1.00000
     96      -5.9562      1.00000
     97      -4.8062      1.00000
     98      -4.5443      1.00000
     99      -4.4809      1.00000
    100      -4.4743      1.00000
    101      -4.3818      1.00000
    102      -4.3812      1.00000
    103      -4.2669      1.00000
    104      -4.1871      1.00000
    105      -3.7389      1.00000
    106      -3.4776      1.00000
    107      -1.8633      0.00000
    108      -1.6698      0.00000
    109      -1.6233      0.00000
    110      -1.5909      0.00000
    111      -1.5754      0.00000
    112      -1.5745      0.00000
    113      -0.4286      0.00000
    114       0.1472      0.00000
    115       0.1913      0.00000
    116       0.2550      0.00000
    117       0.2681      0.00000
    118       0.2715      0.00000
    119       0.4783      0.00000
    120       0.5583      0.00000
    121       1.2609      0.00000
    122       1.2933      0.00000
    123       1.5517      0.00000
    124       1.7719      0.00000
    125       1.7808      0.00000
    126       1.7838      0.00000
    127       1.7847      0.00000
    128       1.8326      0.00000
    129       1.9575      0.00000
    130       1.9723      0.00000
    131       1.9750      0.00000
    132       1.9892      0.00000
    133       1.9963      0.00000
    134       2.0889      0.00000
    135       2.2675      0.00000
    136       2.3440      0.00000
    137       2.6360      0.00000
    138       2.6360      0.00000
    139       2.6669      0.00000
    140       2.7235      0.00000
    141       2.9484      0.00000
    142       3.0262      0.00000
    143       3.0327      0.00000
    144       3.0617      0.00000
    145       3.0631      0.00000
    146       3.0656      0.00000
    147       3.0942      0.00000
    148       3.2878      0.00000
    149       3.4515      0.00000
    150       3.5215      0.00000
    151       3.8243      0.00000
    152       3.9610      0.00000
    153       3.9706      0.00000
    154       3.9726      0.00000
    155       3.9770      0.00000
    156       4.0035      0.00000
    157       4.1905      0.00000
    158       4.2676      0.00000
    159       4.2757      0.00000
    160       4.2894      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3891      1.00000
      2     -21.8300      1.00000
      3     -21.6376      1.00000
      4     -21.6098      1.00000
      5     -21.2741      1.00000
      6     -21.2347      1.00000
      7     -21.0563      1.00000
      8     -20.1672      1.00000
      9     -20.1289      1.00000
     10     -19.6081      1.00000
     11     -19.5967      1.00000
     12     -19.4167      1.00000
     13     -19.0891      1.00000
     14     -19.0596      1.00000
     15     -19.0484      1.00000
     16     -19.0405      1.00000
     17     -18.3602      1.00000
     18     -18.3514      1.00000
     19     -18.0186      1.00000
     20     -17.0687      1.00000
     21     -17.0300      1.00000
     22     -16.9436      1.00000
     23     -16.9393      1.00000
     24     -16.4673      1.00000
     25     -16.4627      1.00000
     26     -15.6128      1.00000
     27     -15.6070      1.00000
     28     -15.2519      1.00000
     29     -15.2429      1.00000
     30     -15.1845      1.00000
     31     -15.0979      1.00000
     32     -15.0705      1.00000
     33     -14.6979      1.00000
     34     -14.6956      1.00000
     35     -13.7261      1.00000
     36     -13.7229      1.00000
     37     -13.2356      1.00000
     38     -12.6143      1.00000
     39     -12.5836      1.00000
     40     -12.4541      1.00000
     41     -12.4498      1.00000
     42     -12.1089      1.00000
     43     -12.1036      1.00000
     44     -11.7161      1.00000
     45     -11.6852      1.00000
     46     -11.2345      1.00000
     47     -11.2258      1.00000
     48     -11.0175      1.00000
     49     -11.0093      1.00000
     50     -10.9255      1.00000
     51     -10.9043      1.00000
     52     -10.6305      1.00000
     53     -10.1551      1.00000
     54     -10.1502      1.00000
     55     -10.0919      1.00000
     56      -9.9980      1.00000
     57      -9.7015      1.00000
     58      -9.6952      1.00000
     59      -9.6550      1.00000
     60      -9.5916      1.00000
     61      -9.5752      1.00000
     62      -9.5584      1.00000
     63      -9.3072      1.00000
     64      -9.3027      1.00000
     65      -9.2733      1.00000
     66      -9.2353      1.00000
     67      -9.1359      1.00000
     68      -9.1158      1.00000
     69      -9.1101      1.00000
     70      -8.9389      1.00000
     71      -8.8709      1.00000
     72      -8.6032      1.00000
     73      -8.5904      1.00000
     74      -8.2358      1.00000
     75      -8.1009      1.00000
     76      -7.9128      1.00000
     77      -7.8626      1.00000
     78      -7.7721      1.00000
     79      -7.7561      1.00000
     80      -7.6911      1.00000
     81      -7.5601      1.00000
     82      -7.3395      1.00000
     83      -7.3221      1.00000
     84      -7.2036      1.00000
     85      -7.1223      1.00000
     86      -7.0311      1.00000
     87      -7.0110      1.00000
     88      -6.7038      1.00000
     89      -6.6770      1.00000
     90      -6.6401      1.00000
     91      -6.5970      1.00000
     92      -6.1165      1.00000
     93      -6.0614      1.00000
     94      -6.0301      1.00000
     95      -6.0107      1.00000
     96      -5.7826      1.00000
     97      -4.9741      1.00000
     98      -4.8318      1.00000
     99      -4.7464      1.00000
    100      -4.6790      1.00000
    101      -4.4686      1.00000
    102      -4.2033      1.00000
    103      -4.1718      1.00000
    104      -4.1274      1.00000
    105      -3.7293      1.00000
    106      -3.4879      1.00000
    107      -1.8708      0.00000
    108      -1.8081      0.00000
    109      -1.5247      0.00000
    110      -1.3764      0.00000
    111      -1.3216      0.00000
    112      -1.2877      0.00000
    113      -0.7202      0.00000
    114      -0.3760      0.00000
    115      -0.2489      0.00000
    116       0.0380      0.00000
    117       0.5641      0.00000
    118       0.7010      0.00000
    119       0.7470      0.00000
    120       1.0498      0.00000
    121       1.0996      0.00000
    122       1.1548      0.00000
    123       1.2294      0.00000
    124       1.3874      0.00000
    125       1.5326      0.00000
    126       1.6004      0.00000
    127       1.7204      0.00000
    128       1.7983      0.00000
    129       1.8572      0.00000
    130       1.8837      0.00000
    131       2.1010      0.00000
    132       2.2020      0.00000
    133       2.2484      0.00000
    134       2.3219      0.00000
    135       2.5256      0.00000
    136       2.6083      0.00000
    137       2.6134      0.00000
    138       2.7860      0.00000
    139       2.7953      0.00000
    140       2.8246      0.00000
    141       2.8297      0.00000
    142       2.9023      0.00000
    143       2.9356      0.00000
    144       3.1033      0.00000
    145       3.1693      0.00000
    146       3.3226      0.00000
    147       3.3537      0.00000
    148       3.4042      0.00000
    149       3.4746      0.00000
    150       3.6076      0.00000
    151       3.6456      0.00000
    152       3.6695      0.00000
    153       3.7176      0.00000
    154       3.9235      0.00000
    155       3.9655      0.00000
    156       4.0258      0.00000
    157       4.0707      0.00000
    158       4.2497      0.00000
    159       4.2598      0.00000
    160       4.2831      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2831      1.00000
      2     -22.0774      1.00000
      3     -21.7161      1.00000
      4     -21.6842      1.00000
      5     -20.9789      1.00000
      6     -20.9383      1.00000
      7     -20.6114      1.00000
      8     -20.5746      1.00000
      9     -20.5685      1.00000
     10     -20.0321      1.00000
     11     -19.5029      1.00000
     12     -19.4909      1.00000
     13     -19.3063      1.00000
     14     -19.3008      1.00000
     15     -18.4472      1.00000
     16     -18.4105      1.00000
     17     -17.9219      1.00000
     18     -17.9121      1.00000
     19     -17.7611      1.00000
     20     -17.7254      1.00000
     21     -17.4355      1.00000
     22     -17.4278      1.00000
     23     -17.3405      1.00000
     24     -16.4622      1.00000
     25     -16.4611      1.00000
     26     -15.9667      1.00000
     27     -15.4131      1.00000
     28     -15.4085      1.00000
     29     -15.0955      1.00000
     30     -15.0926      1.00000
     31     -14.8546      1.00000
     32     -14.8466      1.00000
     33     -14.2903      1.00000
     34     -14.2570      1.00000
     35     -13.4368      1.00000
     36     -13.4037      1.00000
     37     -13.1771      1.00000
     38     -13.1730      1.00000
     39     -12.9814      1.00000
     40     -12.9763      1.00000
     41     -12.6128      1.00000
     42     -12.6086      1.00000
     43     -12.1977      1.00000
     44     -11.5753      1.00000
     45     -11.5416      1.00000
     46     -11.3095      1.00000
     47     -11.2868      1.00000
     48     -11.1421      1.00000
     49     -10.6752      1.00000
     50     -10.6606      1.00000
     51     -10.5526      1.00000
     52     -10.3238      1.00000
     53     -10.3167      1.00000
     54     -10.1685      1.00000
     55     -10.1152      1.00000
     56     -10.1117      1.00000
     57      -9.7974      1.00000
     58      -9.7656      1.00000
     59      -9.7508      1.00000
     60      -9.6989      1.00000
     61      -9.6974      1.00000
     62      -9.6612      1.00000
     63      -9.3550      1.00000
     64      -9.3501      1.00000
     65      -9.3141      1.00000
     66      -9.0404      1.00000
     67      -8.9626      1.00000
     68      -8.9482      1.00000
     69      -8.7988      1.00000
     70      -8.5937      1.00000
     71      -8.5569      1.00000
     72      -8.3976      1.00000
     73      -8.3643      1.00000
     74      -8.3237      1.00000
     75      -8.3067      1.00000
     76      -8.2580      1.00000
     77      -8.2565      1.00000
     78      -8.2351      1.00000
     79      -7.9038      1.00000
     80      -7.6503      1.00000
     81      -7.5488      1.00000
     82      -7.3871      1.00000
     83      -7.3490      1.00000
     84      -7.2313      1.00000
     85      -7.0956      1.00000
     86      -7.0376      1.00000
     87      -6.9331      1.00000
     88      -6.8471      1.00000
     89      -6.6113      1.00000
     90      -6.5592      1.00000
     91      -6.2685      1.00000
     92      -6.0431      1.00000
     93      -5.9510      1.00000
     94      -5.6621      1.00000
     95      -5.6220      1.00000
     96      -5.4627      1.00000
     97      -5.3195      1.00000
     98      -5.2781      1.00000
     99      -5.2132      1.00000
    100      -5.1933      1.00000
    101      -4.5083      1.00000
    102      -4.2076      1.00000
    103      -4.0592      1.00000
    104      -3.9886      1.00000
    105      -3.6941      1.00000
    106      -3.4982      1.00000
    107      -1.9459      0.00000
    108      -1.8959      0.00000
    109      -1.3395      0.00000
    110      -1.0850      0.00000
    111      -1.0571      0.00000
    112      -0.8006      0.00000
    113      -0.6766      0.00000
    114      -0.6471      0.00000
    115      -0.6070      0.00000
    116      -0.1075      0.00000
    117       0.2156      0.00000
    118       0.3299      0.00000
    119       0.7031      0.00000
    120       0.8957      0.00000
    121       1.1299      0.00000
    122       1.1999      0.00000
    123       1.3353      0.00000
    124       1.4313      0.00000
    125       1.5580      0.00000
    126       1.5779      0.00000
    127       1.6962      0.00000
    128       1.8116      0.00000
    129       1.8898      0.00000
    130       2.0624      0.00000
    131       2.1084      0.00000
    132       2.3040      0.00000
    133       2.3545      0.00000
    134       2.4127      0.00000
    135       2.5647      0.00000
    136       2.6376      0.00000
    137       2.7262      0.00000
    138       2.7401      0.00000
    139       2.7984      0.00000
    140       2.8888      0.00000
    141       3.0558      0.00000
    142       3.0665      0.00000
    143       3.1788      0.00000
    144       3.2743      0.00000
    145       3.3699      0.00000
    146       3.4253      0.00000
    147       3.4459      0.00000
    148       3.5697      0.00000
    149       3.5885      0.00000
    150       3.6114      0.00000
    151       3.6634      0.00000
    152       3.6840      0.00000
    153       3.7718      0.00000
    154       3.7790      0.00000
    155       3.8122      0.00000
    156       3.8952      0.00000
    157       3.9357      0.00000
    158       3.9987      0.00000
    159       4.2225      0.00000
    160       4.2318      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3170      1.00000
      2     -21.9623      1.00000
      3     -21.8931      1.00000
      4     -21.3804      1.00000
      5     -21.3511      1.00000
      6     -20.8393      1.00000
      7     -20.7739      1.00000
      8     -20.6237      1.00000
      9     -20.0769      1.00000
     10     -20.0714      1.00000
     11     -19.7164      1.00000
     12     -19.6918      1.00000
     13     -18.9958      1.00000
     14     -18.9902      1.00000
     15     -18.6399      1.00000
     16     -18.6240      1.00000
     17     -18.4618      1.00000
     18     -17.6750      1.00000
     19     -17.6246      1.00000
     20     -17.6218      1.00000
     21     -17.5799      1.00000
     22     -17.1261      1.00000
     23     -17.1043      1.00000
     24     -16.9615      1.00000
     25     -16.0013      1.00000
     26     -15.9281      1.00000
     27     -15.5854      1.00000
     28     -15.5852      1.00000
     29     -15.2859      1.00000
     30     -14.8639      1.00000
     31     -14.8364      1.00000
     32     -14.5789      1.00000
     33     -14.5369      1.00000
     34     -14.1673      1.00000
     35     -14.1539      1.00000
     36     -13.1482      1.00000
     37     -13.1005      1.00000
     38     -13.0296      1.00000
     39     -13.0193      1.00000
     40     -12.7089      1.00000
     41     -12.7050      1.00000
     42     -12.3406      1.00000
     43     -12.3093      1.00000
     44     -11.6348      1.00000
     45     -11.6211      1.00000
     46     -11.5705      1.00000
     47     -10.9483      1.00000
     48     -10.9154      1.00000
     49     -10.6325      1.00000
     50     -10.6249      1.00000
     51     -10.5471      1.00000
     52     -10.4986      1.00000
     53     -10.4984      1.00000
     54     -10.4402      1.00000
     55     -10.3610      1.00000
     56     -10.0988      1.00000
     57      -9.9027      1.00000
     58      -9.6094      1.00000
     59      -9.5568      1.00000
     60      -9.4516      1.00000
     61      -9.4110      1.00000
     62      -9.4045      1.00000
     63      -9.3775      1.00000
     64      -9.3774      1.00000
     65      -9.2867      1.00000
     66      -9.1673      1.00000
     67      -9.1419      1.00000
     68      -9.1130      1.00000
     69      -8.8635      1.00000
     70      -8.8560      1.00000
     71      -8.8145      1.00000
     72      -8.5962      1.00000
     73      -8.4794      1.00000
     74      -8.1976      1.00000
     75      -8.1622      1.00000
     76      -8.0079      1.00000
     77      -7.9637      1.00000
     78      -7.8517      1.00000
     79      -7.8410      1.00000
     80      -7.7041      1.00000
     81      -7.6969      1.00000
     82      -7.6211      1.00000
     83      -7.4480      1.00000
     84      -7.2994      1.00000
     85      -7.2524      1.00000
     86      -6.9056      1.00000
     87      -6.8918      1.00000
     88      -6.5878      1.00000
     89      -6.5505      1.00000
     90      -6.4076      1.00000
     91      -6.2528      1.00000
     92      -6.2320      1.00000
     93      -6.2033      1.00000
     94      -6.0224      1.00000
     95      -5.5493      1.00000
     96      -5.4884      1.00000
     97      -5.3499      1.00000
     98      -5.2190      1.00000
     99      -4.9791      1.00000
    100      -4.7323      1.00000
    101      -4.6776      1.00000
    102      -4.3869      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5462      1.00000
    106      -3.5103      1.00000
    107      -2.2553      0.00000
    108      -1.4575      0.00000
    109      -1.3699      0.00000
    110      -1.2413      0.00000
    111      -1.0980      0.00000
    112      -0.9453      0.00000
    113      -0.8639      0.00000
    114      -0.8035      0.00000
    115      -0.1387      0.00000
    116       0.1125      0.00000
    117       0.2414      0.00000
    118       0.3783      0.00000
    119       0.6612      0.00000
    120       0.8369      0.00000
    121       0.9369      0.00000
    122       1.0713      0.00000
    123       1.2434      0.00000
    124       1.4549      0.00000
    125       1.5708      0.00000
    126       1.7663      0.00000
    127       1.7930      0.00000
    128       1.8651      0.00000
    129       1.9895      0.00000
    130       2.0453      0.00000
    131       2.1869      0.00000
    132       2.1936      0.00000
    133       2.4248      0.00000
    134       2.4254      0.00000
    135       2.5040      0.00000
    136       2.6051      0.00000
    137       2.6348      0.00000
    138       2.7068      0.00000
    139       2.7871      0.00000
    140       2.8513      0.00000
    141       2.9676      0.00000
    142       3.0929      0.00000
    143       3.1824      0.00000
    144       3.2110      0.00000
    145       3.2381      0.00000
    146       3.3317      0.00000
    147       3.3366      0.00000
    148       3.4752      0.00000
    149       3.5185      0.00000
    150       3.6996      0.00000
    151       3.7232      0.00000
    152       3.7306      0.00000
    153       3.8676      0.00000
    154       3.9072      0.00000
    155       3.9579      0.00000
    156       3.9807      0.00000
    157       3.9951      0.00000
    158       4.0365      0.00000
    159       4.0584      0.00000
    160       4.0660      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2101      1.00000
      2     -22.1170      1.00000
      3     -21.9563      1.00000
      4     -21.4039      1.00000
      5     -21.0494      1.00000
      6     -21.0134      1.00000
      7     -20.5003      1.00000
      8     -20.4607      1.00000
      9     -20.2945      1.00000
     10     -20.2752      1.00000
     11     -19.9570      1.00000
     12     -19.8913      1.00000
     13     -18.8820      1.00000
     14     -18.8132      1.00000
     15     -18.3526      1.00000
     16     -18.3063      1.00000
     17     -18.1526      1.00000
     18     -18.1354      1.00000
     19     -17.8264      1.00000
     20     -17.7888      1.00000
     21     -17.2515      1.00000
     22     -17.2412      1.00000
     23     -17.1644      1.00000
     24     -17.1324      1.00000
     25     -16.1099      1.00000
     26     -15.8847      1.00000
     27     -15.8698      1.00000
     28     -15.8336      1.00000
     29     -15.2361      1.00000
     30     -14.5545      1.00000
     31     -14.5266      1.00000
     32     -14.2798      1.00000
     33     -13.9639      1.00000
     34     -13.9563      1.00000
     35     -13.8202      1.00000
     36     -13.8044      1.00000
     37     -13.6141      1.00000
     38     -13.5703      1.00000
     39     -13.3694      1.00000
     40     -12.6342      1.00000
     41     -12.1805      1.00000
     42     -12.1325      1.00000
     43     -12.0712      1.00000
     44     -12.0190      1.00000
     45     -11.6698      1.00000
     46     -11.6563      1.00000
     47     -11.1384      1.00000
     48     -11.1179      1.00000
     49     -10.7937      1.00000
     50     -10.7302      1.00000
     51     -10.5286      1.00000
     52     -10.2095      1.00000
     53     -10.2047      1.00000
     54     -10.1638      1.00000
     55     -10.0179      1.00000
     56     -10.0037      1.00000
     57      -9.9901      1.00000
     58      -9.8012      1.00000
     59      -9.7975      1.00000
     60      -9.7622      1.00000
     61      -9.7572      1.00000
     62      -9.4535      1.00000
     63      -9.4167      1.00000
     64      -9.0799      1.00000
     65      -9.0728      1.00000
     66      -9.0404      1.00000
     67      -8.9546      1.00000
     68      -8.8765      1.00000
     69      -8.7122      1.00000
     70      -8.6997      1.00000
     71      -8.5649      1.00000
     72      -8.5420      1.00000
     73      -8.4985      1.00000
     74      -8.4631      1.00000
     75      -8.4521      1.00000
     76      -8.2597      1.00000
     77      -8.1248      1.00000
     78      -8.0427      1.00000
     79      -7.9159      1.00000
     80      -7.8626      1.00000
     81      -7.6141      1.00000
     82      -7.5477      1.00000
     83      -7.4886      1.00000
     84      -7.2671      1.00000
     85      -6.9959      1.00000
     86      -6.9233      1.00000
     87      -6.8825      1.00000
     88      -6.5315      1.00000
     89      -6.4862      1.00000
     90      -6.4604      1.00000
     91      -6.4094      1.00000
     92      -5.9833      1.00000
     93      -5.8969      1.00000
     94      -5.7839      1.00000
     95      -5.7590      1.00000
     96      -5.4315      1.00000
     97      -5.3289      1.00000
     98      -5.2294      1.00000
     99      -5.2171      1.00000
    100      -5.1880      1.00000
    101      -4.6919      1.00000
    102      -4.4210      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5295      1.00000
    106      -3.2739      1.00000
    107      -2.5306      0.00000
    108      -1.4588      0.00000
    109      -1.2658      0.00000
    110      -1.2027      0.00000
    111      -1.1720      0.00000
    112      -0.7200      0.00000
    113      -0.5035      0.00000
    114      -0.4119      0.00000
    115      -0.3388      0.00000
    116      -0.1459      0.00000
    117      -0.0030      0.00000
    118       0.1950      0.00000
    119       0.5629      0.00000
    120       0.6129      0.00000
    121       0.8042      0.00000
    122       0.9165      0.00000
    123       1.1425      0.00000
    124       1.5072      0.00000
    125       1.6461      0.00000
    126       1.8750      0.00000
    127       1.9397      0.00000
    128       2.1140      0.00000
    129       2.1168      0.00000
    130       2.1323      0.00000
    131       2.1707      0.00000
    132       2.2804      0.00000
    133       2.3208      0.00000
    134       2.4569      0.00000
    135       2.5786      0.00000
    136       2.6672      0.00000
    137       2.8624      0.00000
    138       2.8730      0.00000
    139       2.9043      0.00000
    140       3.0263      0.00000
    141       3.0359      0.00000
    142       3.1523      0.00000
    143       3.1538      0.00000
    144       3.2381      0.00000
    145       3.2800      0.00000
    146       3.2916      0.00000
    147       3.3086      0.00000
    148       3.3542      0.00000
    149       3.4359      0.00000
    150       3.4540      0.00000
    151       3.5632      0.00000
    152       3.6249      0.00000
    153       3.6773      0.00000
    154       3.7118      0.00000
    155       3.7880      0.00000
    156       3.9036      0.00000
    157       3.9512      0.00000
    158       4.0165      0.00000
    159       4.1538      0.00000
    160       4.2396      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3168      1.00000
      2     -21.9639      1.00000
      3     -21.8916      1.00000
      4     -21.3842      1.00000
      5     -21.3477      1.00000
      6     -20.8389      1.00000
      7     -20.7725      1.00000
      8     -20.6244      1.00000
      9     -20.0891      1.00000
     10     -20.0604      1.00000
     11     -19.7179      1.00000
     12     -19.6891      1.00000
     13     -19.0094      1.00000
     14     -18.9782      1.00000
     15     -18.6493      1.00000
     16     -18.6167      1.00000
     17     -18.4600      1.00000
     18     -17.6602      1.00000
     19     -17.6460      1.00000
     20     -17.6100      1.00000
     21     -17.5774      1.00000
     22     -17.1369      1.00000
     23     -17.0969      1.00000
     24     -16.9654      1.00000
     25     -16.0078      1.00000
     26     -15.9228      1.00000
     27     -15.5982      1.00000
     28     -15.5747      1.00000
     29     -15.2795      1.00000
     30     -14.8761      1.00000
     31     -14.8291      1.00000
     32     -14.5740      1.00000
     33     -14.5363      1.00000
     34     -14.1637      1.00000
     35     -14.1596      1.00000
     36     -13.1617      1.00000
     37     -13.0950      1.00000
     38     -13.0223      1.00000
     39     -13.0179      1.00000
     40     -12.7172      1.00000
     41     -12.6940      1.00000
     42     -12.3402      1.00000
     43     -12.3130      1.00000
     44     -11.6315      1.00000
     45     -11.6223      1.00000
     46     -11.5698      1.00000
     47     -10.9405      1.00000
     48     -10.9225      1.00000
     49     -10.6686      1.00000
     50     -10.5890      1.00000
     51     -10.5726      1.00000
     52     -10.5009      1.00000
     53     -10.4882      1.00000
     54     -10.4382      1.00000
     55     -10.3551      1.00000
     56     -10.1031      1.00000
     57      -9.8969      1.00000
     58      -9.6075      1.00000
     59      -9.5503      1.00000
     60      -9.4536      1.00000
     61      -9.4185      1.00000
     62      -9.4085      1.00000
     63      -9.3784      1.00000
     64      -9.3711      1.00000
     65      -9.2668      1.00000
     66      -9.1653      1.00000
     67      -9.1411      1.00000
     68      -9.1157      1.00000
     69      -8.8658      1.00000
     70      -8.8597      1.00000
     71      -8.8018      1.00000
     72      -8.5957      1.00000
     73      -8.5260      1.00000
     74      -8.1930      1.00000
     75      -8.1701      1.00000
     76      -8.0751      1.00000
     77      -7.8566      1.00000
     78      -7.8364      1.00000
     79      -7.8229      1.00000
     80      -7.7101      1.00000
     81      -7.6954      1.00000
     82      -7.5964      1.00000
     83      -7.5293      1.00000
     84      -7.3494      1.00000
     85      -7.1666      1.00000
     86      -6.9053      1.00000
     87      -6.8950      1.00000
     88      -6.5918      1.00000
     89      -6.5505      1.00000
     90      -6.4049      1.00000
     91      -6.3015      1.00000
     92      -6.2468      1.00000
     93      -6.2013      1.00000
     94      -6.0033      1.00000
     95      -5.5313      1.00000
     96      -5.4647      1.00000
     97      -5.3135      1.00000
     98      -5.2089      1.00000
     99      -5.0465      1.00000
    100      -4.7231      1.00000
    101      -4.6713      1.00000
    102      -4.4235      1.00000
    103      -4.1946      1.00000
    104      -3.8428      1.00000
    105      -3.6344      1.00000
    106      -3.4159      1.00000
    107      -2.2927      0.00000
    108      -1.5099      0.00000
    109      -1.2698      0.00000
    110      -1.2621      0.00000
    111      -1.0342      0.00000
    112      -0.9764      0.00000
    113      -0.8678      0.00000
    114      -0.7993      0.00000
    115      -0.2611      0.00000
    116       0.2041      0.00000
    117       0.2396      0.00000
    118       0.3613      0.00000
    119       0.6996      0.00000
    120       0.8953      0.00000
    121       0.9249      0.00000
    122       1.0477      0.00000
    123       1.1759      0.00000
    124       1.5175      0.00000
    125       1.5779      0.00000
    126       1.7179      0.00000
    127       1.7801      0.00000
    128       1.8306      0.00000
    129       1.9551      0.00000
    130       2.0051      0.00000
    131       2.1760      0.00000
    132       2.2814      0.00000
    133       2.4253      0.00000
    134       2.4359      0.00000
    135       2.4998      0.00000
    136       2.6022      0.00000
    137       2.6187      0.00000
    138       2.7113      0.00000
    139       2.7655      0.00000
    140       2.8795      0.00000
    141       3.0489      0.00000
    142       3.0918      0.00000
    143       3.1802      0.00000
    144       3.2301      0.00000
    145       3.2414      0.00000
    146       3.3054      0.00000
    147       3.3637      0.00000
    148       3.4621      0.00000
    149       3.5369      0.00000
    150       3.7007      0.00000
    151       3.7201      0.00000
    152       3.7554      0.00000
    153       3.8363      0.00000
    154       3.8905      0.00000
    155       3.9440      0.00000
    156       3.9849      0.00000
    157       4.0005      0.00000
    158       4.0247      0.00000
    159       4.0441      0.00000
    160       4.0836      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3890      1.00000
      2     -21.8302      1.00000
      3     -21.6409      1.00000
      4     -21.6059      1.00000
      5     -21.2783      1.00000
      6     -21.2312      1.00000
      7     -21.0558      1.00000
      8     -20.1709      1.00000
      9     -20.1247      1.00000
     10     -19.6168      1.00000
     11     -19.5901      1.00000
     12     -19.4149      1.00000
     13     -19.0942      1.00000
     14     -19.0556      1.00000
     15     -19.0511      1.00000
     16     -19.0378      1.00000
     17     -18.3666      1.00000
     18     -18.3463      1.00000
     19     -18.0159      1.00000
     20     -17.0717      1.00000
     21     -17.0229      1.00000
     22     -16.9492      1.00000
     23     -16.9352      1.00000
     24     -16.4743      1.00000
     25     -16.4628      1.00000
     26     -15.6092      1.00000
     27     -15.6088      1.00000
     28     -15.2497      1.00000
     29     -15.2370      1.00000
     30     -15.1903      1.00000
     31     -15.1005      1.00000
     32     -15.0670      1.00000
     33     -14.6983      1.00000
     34     -14.6969      1.00000
     35     -13.7249      1.00000
     36     -13.7244      1.00000
     37     -13.2339      1.00000
     38     -12.6236      1.00000
     39     -12.5789      1.00000
     40     -12.4537      1.00000
     41     -12.4481      1.00000
     42     -12.1053      1.00000
     43     -12.0998      1.00000
     44     -11.7218      1.00000
     45     -11.6832      1.00000
     46     -11.2452      1.00000
     47     -11.2240      1.00000
     48     -11.0166      1.00000
     49     -11.0047      1.00000
     50     -10.9276      1.00000
     51     -10.8990      1.00000
     52     -10.6366      1.00000
     53     -10.1711      1.00000
     54     -10.1483      1.00000
     55     -10.0831      1.00000
     56      -9.9914      1.00000
     57      -9.6955      1.00000
     58      -9.6892      1.00000
     59      -9.6696      1.00000
     60      -9.5911      1.00000
     61      -9.5676      1.00000
     62      -9.5530      1.00000
     63      -9.3117      1.00000
     64      -9.2988      1.00000
     65      -9.2823      1.00000
     66      -9.2435      1.00000
     67      -9.1214      1.00000
     68      -9.1112      1.00000
     69      -9.1098      1.00000
     70      -8.9387      1.00000
     71      -8.8760      1.00000
     72      -8.6049      1.00000
     73      -8.5868      1.00000
     74      -8.2704      1.00000
     75      -8.0996      1.00000
     76      -7.8684      1.00000
     77      -7.8428      1.00000
     78      -7.7899      1.00000
     79      -7.7639      1.00000
     80      -7.7544      1.00000
     81      -7.4467      1.00000
     82      -7.3337      1.00000
     83      -7.3214      1.00000
     84      -7.2652      1.00000
     85      -7.1617      1.00000
     86      -7.0159      1.00000
     87      -6.9854      1.00000
     88      -6.7168      1.00000
     89      -6.6898      1.00000
     90      -6.6310      1.00000
     91      -6.5896      1.00000
     92      -6.1157      1.00000
     93      -6.0591      1.00000
     94      -6.0439      1.00000
     95      -6.0290      1.00000
     96      -5.7473      1.00000
     97      -4.9744      1.00000
     98      -4.8391      1.00000
     99      -4.7084      1.00000
    100      -4.6732      1.00000
    101      -4.4833      1.00000
    102      -4.3524      1.00000
    103      -4.1112      1.00000
    104      -4.0552      1.00000
    105      -3.7547      1.00000
    106      -3.4654      1.00000
    107      -1.9518      0.00000
    108      -1.7709      0.00000
    109      -1.4797      0.00000
    110      -1.3554      0.00000
    111      -1.3353      0.00000
    112      -1.2915      0.00000
    113      -0.6775      0.00000
    114      -0.4716      0.00000
    115      -0.2360      0.00000
    116       0.0527      0.00000
    117       0.5976      0.00000
    118       0.6917      0.00000
    119       0.7705      0.00000
    120       1.0250      0.00000
    121       1.0973      0.00000
    122       1.1803      0.00000
    123       1.2541      0.00000
    124       1.3428      0.00000
    125       1.4459      0.00000
    126       1.6162      0.00000
    127       1.7508      0.00000
    128       1.8463      0.00000
    129       1.8568      0.00000
    130       1.8927      0.00000
    131       2.0421      0.00000
    132       2.2262      0.00000
    133       2.2503      0.00000
    134       2.3050      0.00000
    135       2.4856      0.00000
    136       2.6088      0.00000
    137       2.6410      0.00000
    138       2.7751      0.00000
    139       2.7919      0.00000
    140       2.8348      0.00000
    141       2.8412      0.00000
    142       2.8520      0.00000
    143       2.9265      0.00000
    144       3.1098      0.00000
    145       3.3201      0.00000
    146       3.3442      0.00000
    147       3.3829      0.00000
    148       3.4088      0.00000
    149       3.4328      0.00000
    150       3.5955      0.00000
    151       3.6373      0.00000
    152       3.6857      0.00000
    153       3.7405      0.00000
    154       3.9043      0.00000
    155       3.9352      0.00000
    156       3.9566      0.00000
    157       4.1078      0.00000
    158       4.2138      0.00000
    159       4.2681      0.00000
    160       4.2886      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2092      1.00000
      2     -22.1183      1.00000
      3     -21.9560      1.00000
      4     -21.4041      1.00000
      5     -21.0455      1.00000
      6     -21.0171      1.00000
      7     -20.4954      1.00000
      8     -20.4655      1.00000
      9     -20.2855      1.00000
     10     -20.2835      1.00000
     11     -19.9562      1.00000
     12     -19.8930      1.00000
     13     -18.8830      1.00000
     14     -18.8153      1.00000
     15     -18.3371      1.00000
     16     -18.3177      1.00000
     17     -18.1486      1.00000
     18     -18.1409      1.00000
     19     -17.8152      1.00000
     20     -17.7968      1.00000
     21     -17.2576      1.00000
     22     -17.2381      1.00000
     23     -17.1596      1.00000
     24     -17.1351      1.00000
     25     -16.1150      1.00000
     26     -15.8803      1.00000
     27     -15.8691      1.00000
     28     -15.8399      1.00000
     29     -15.2305      1.00000
     30     -14.5507      1.00000
     31     -14.5324      1.00000
     32     -14.2753      1.00000
     33     -13.9739      1.00000
     34     -13.9501      1.00000
     35     -13.8236      1.00000
     36     -13.8017      1.00000
     37     -13.6038      1.00000
     38     -13.5783      1.00000
     39     -13.3692      1.00000
     40     -12.6375      1.00000
     41     -12.1688      1.00000
     42     -12.1422      1.00000
     43     -12.0679      1.00000
     44     -12.0210      1.00000
     45     -11.6635      1.00000
     46     -11.6588      1.00000
     47     -11.1366      1.00000
     48     -11.1256      1.00000
     49     -10.7908      1.00000
     50     -10.7344      1.00000
     51     -10.5353      1.00000
     52     -10.2071      1.00000
     53     -10.2011      1.00000
     54     -10.1695      1.00000
     55     -10.0217      1.00000
     56      -9.9933      1.00000
     57      -9.9890      1.00000
     58      -9.8041      1.00000
     59      -9.7948      1.00000
     60      -9.7637      1.00000
     61      -9.7564      1.00000
     62      -9.4549      1.00000
     63      -9.4167      1.00000
     64      -9.0837      1.00000
     65      -9.0448      1.00000
     66      -9.0247      1.00000
     67      -8.9703      1.00000
     68      -8.8972      1.00000
     69      -8.7070      1.00000
     70      -8.6980      1.00000
     71      -8.5606      1.00000
     72      -8.5499      1.00000
     73      -8.4772      1.00000
     74      -8.4591      1.00000
     75      -8.4562      1.00000
     76      -8.3079      1.00000
     77      -8.0943      1.00000
     78      -8.0885      1.00000
     79      -7.9250      1.00000
     80      -7.8308      1.00000
     81      -7.6002      1.00000
     82      -7.5379      1.00000
     83      -7.4420      1.00000
     84      -7.3136      1.00000
     85      -6.9921      1.00000
     86      -6.9177      1.00000
     87      -6.8803      1.00000
     88      -6.5287      1.00000
     89      -6.5146      1.00000
     90      -6.4811      1.00000
     91      -6.4198      1.00000
     92      -5.9263      1.00000
     93      -5.9048      1.00000
     94      -5.7883      1.00000
     95      -5.7741      1.00000
     96      -5.3690      1.00000
     97      -5.3622      1.00000
     98      -5.2200      1.00000
     99      -5.2148      1.00000
    100      -5.1979      1.00000
    101      -4.7200      1.00000
    102      -4.4420      1.00000
    103      -4.1907      1.00000
    104      -3.8204      1.00000
    105      -3.5658      1.00000
    106      -3.2206      1.00000
    107      -2.5629      0.00000
    108      -1.4639      0.00000
    109      -1.2657      0.00000
    110      -1.1854      0.00000
    111      -1.1839      0.00000
    112      -0.6447      0.00000
    113      -0.5509      0.00000
    114      -0.4149      0.00000
    115      -0.3474      0.00000
    116      -0.0768      0.00000
    117      -0.0625      0.00000
    118       0.1273      0.00000
    119       0.5927      0.00000
    120       0.6273      0.00000
    121       0.8645      0.00000
    122       0.9957      0.00000
    123       1.0113      0.00000
    124       1.5019      0.00000
    125       1.6948      0.00000
    126       1.7918      0.00000
    127       1.8778      0.00000
    128       2.1105      0.00000
    129       2.1290      0.00000
    130       2.1808      0.00000
    131       2.2101      0.00000
    132       2.2504      0.00000
    133       2.3368      0.00000
    134       2.4924      0.00000
    135       2.5036      0.00000
    136       2.6786      0.00000
    137       2.8531      0.00000
    138       2.8620      0.00000
    139       2.9647      0.00000
    140       3.0150      0.00000
    141       3.0516      0.00000
    142       3.1460      0.00000
    143       3.1642      0.00000
    144       3.2530      0.00000
    145       3.2605      0.00000
    146       3.2844      0.00000
    147       3.3110      0.00000
    148       3.3633      0.00000
    149       3.4286      0.00000
    150       3.5611      0.00000
    151       3.5749      0.00000
    152       3.6570      0.00000
    153       3.6620      0.00000
    154       3.6783      0.00000
    155       3.7115      0.00000
    156       3.9065      0.00000
    157       3.9696      0.00000
    158       4.0510      0.00000
    159       4.0979      0.00000
    160       4.2036      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2827      1.00000
      2     -22.0780      1.00000
      3     -21.7197      1.00000
      4     -21.6805      1.00000
      5     -20.9822      1.00000
      6     -20.9344      1.00000
      7     -20.6107      1.00000
      8     -20.5785      1.00000
      9     -20.5650      1.00000
     10     -20.0315      1.00000
     11     -19.5132      1.00000
     12     -19.4826      1.00000
     13     -19.3112      1.00000
     14     -19.2976      1.00000
     15     -18.4489      1.00000
     16     -18.4058      1.00000
     17     -17.9273      1.00000
     18     -17.9065      1.00000
     19     -17.7652      1.00000
     20     -17.7202      1.00000
     21     -17.4413      1.00000
     22     -17.4224      1.00000
     23     -17.3375      1.00000
     24     -16.4704      1.00000
     25     -16.4606      1.00000
     26     -15.9690      1.00000
     27     -15.4108      1.00000
     28     -15.4096      1.00000
     29     -15.0956      1.00000
     30     -15.0928      1.00000
     31     -14.8530      1.00000
     32     -14.8400      1.00000
     33     -14.2969      1.00000
     34     -14.2527      1.00000
     35     -13.4434      1.00000
     36     -13.3991      1.00000
     37     -13.1751      1.00000
     38     -13.1732      1.00000
     39     -12.9845      1.00000
     40     -12.9753      1.00000
     41     -12.6108      1.00000
     42     -12.6081      1.00000
     43     -12.1954      1.00000
     44     -11.5797      1.00000
     45     -11.5386      1.00000
     46     -11.3135      1.00000
     47     -11.2832      1.00000
     48     -11.1406      1.00000
     49     -10.6925      1.00000
     50     -10.6626      1.00000
     51     -10.5466      1.00000
     52     -10.3212      1.00000
     53     -10.3133      1.00000
     54     -10.1748      1.00000
     55     -10.1210      1.00000
     56     -10.1080      1.00000
     57      -9.8105      1.00000
     58      -9.7512      1.00000
     59      -9.7510      1.00000
     60      -9.7007      1.00000
     61      -9.6973      1.00000
     62      -9.6459      1.00000
     63      -9.3513      1.00000
     64      -9.3501      1.00000
     65      -9.3185      1.00000
     66      -9.0272      1.00000
     67      -8.9605      1.00000
     68      -8.9570      1.00000
     69      -8.7745      1.00000
     70      -8.5924      1.00000
     71      -8.5877      1.00000
     72      -8.4230      1.00000
     73      -8.3488      1.00000
     74      -8.3223      1.00000
     75      -8.3017      1.00000
     76      -8.2654      1.00000
     77      -8.2547      1.00000
     78      -8.2396      1.00000
     79      -7.9205      1.00000
     80      -7.7330      1.00000
     81      -7.3782      1.00000
     82      -7.3480      1.00000
     83      -7.3228      1.00000
     84      -7.2155      1.00000
     85      -7.1594      1.00000
     86      -7.0643      1.00000
     87      -6.9598      1.00000
     88      -6.9043      1.00000
     89      -6.6146      1.00000
     90      -6.5546      1.00000
     91      -6.2723      1.00000
     92      -5.9958      1.00000
     93      -5.9589      1.00000
     94      -5.6746      1.00000
     95      -5.6480      1.00000
     96      -5.3867      1.00000
     97      -5.3147      1.00000
     98      -5.2934      1.00000
     99      -5.2113      1.00000
    100      -5.1996      1.00000
    101      -4.5113      1.00000
    102      -4.3390      1.00000
    103      -3.9959      1.00000
    104      -3.8856      1.00000
    105      -3.7927      1.00000
    106      -3.4431      1.00000
    107      -2.0357      0.00000
    108      -1.8630      0.00000
    109      -1.2178      0.00000
    110      -1.1825      0.00000
    111      -1.0361      0.00000
    112      -0.7724      0.00000
    113      -0.6768      0.00000
    114      -0.6601      0.00000
    115      -0.6089      0.00000
    116      -0.1007      0.00000
    117       0.2232      0.00000
    118       0.2411      0.00000
    119       0.7798      0.00000
    120       0.9926      0.00000
    121       1.0756      0.00000
    122       1.2438      0.00000
    123       1.2530      0.00000
    124       1.3499      0.00000
    125       1.5831      0.00000
    126       1.5847      0.00000
    127       1.7216      0.00000
    128       1.7993      0.00000
    129       1.9600      0.00000
    130       1.9846      0.00000
    131       2.0565      0.00000
    132       2.2657      0.00000
    133       2.3425      0.00000
    134       2.4305      0.00000
    135       2.5578      0.00000
    136       2.6365      0.00000
    137       2.7337      0.00000
    138       2.8010      0.00000
    139       2.8550      0.00000
    140       2.8741      0.00000
    141       3.0529      0.00000
    142       3.1118      0.00000
    143       3.1707      0.00000
    144       3.2305      0.00000
    145       3.3786      0.00000
    146       3.4203      0.00000
    147       3.5171      0.00000
    148       3.5636      0.00000
    149       3.5933      0.00000
    150       3.6152      0.00000
    151       3.6598      0.00000
    152       3.7441      0.00000
    153       3.7565      0.00000
    154       3.7673      0.00000
    155       3.7848      0.00000
    156       3.8780      0.00000
    157       4.0233      0.00000
    158       4.1003      0.00000
    159       4.1819      0.00000
    160       4.2251      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4257      1.00000
      2     -21.6027      1.00000
      3     -21.4808      1.00000
      4     -21.4718      1.00000
      5     -21.4402      1.00000
      6     -21.4395      1.00000
      7     -21.4291      1.00000
      8     -19.7071      1.00000
      9     -19.6519      1.00000
     10     -19.6287      1.00000
     11     -19.6178      1.00000
     12     -19.6127      1.00000
     13     -19.6111      1.00000
     14     -18.7897      1.00000
     15     -18.7538      1.00000
     16     -18.7340      1.00000
     17     -18.7246      1.00000
     18     -18.7171      1.00000
     19     -18.7127      1.00000
     20     -16.6342      1.00000
     21     -16.6083      1.00000
     22     -16.5843      1.00000
     23     -16.5810      1.00000
     24     -16.5536      1.00000
     25     -16.5522      1.00000
     26     -15.6135      1.00000
     27     -15.6023      1.00000
     28     -15.5985      1.00000
     29     -15.5639      1.00000
     30     -15.5623      1.00000
     31     -15.5601      1.00000
     32     -14.2588      1.00000
     33     -14.2496      1.00000
     34     -14.2405      1.00000
     35     -14.2357      1.00000
     36     -14.2213      1.00000
     37     -14.2187      1.00000
     38     -11.9054      1.00000
     39     -11.8788      1.00000
     40     -11.8682      1.00000
     41     -11.8645      1.00000
     42     -11.8439      1.00000
     43     -11.8438      1.00000
     44     -11.7701      1.00000
     45     -11.7682      1.00000
     46     -11.7342      1.00000
     47     -11.7280      1.00000
     48     -11.7250      1.00000
     49     -11.7213      1.00000
     50     -10.6755      1.00000
     51     -10.3874      1.00000
     52     -10.3834      1.00000
     53     -10.3762      1.00000
     54     -10.3674      1.00000
     55     -10.3554      1.00000
     56     -10.3528      1.00000
     57      -9.9035      1.00000
     58      -9.4498      1.00000
     59      -9.4046      1.00000
     60      -9.3616      1.00000
     61      -9.3610      1.00000
     62      -9.3530      1.00000
     63      -9.1413      1.00000
     64      -9.1229      1.00000
     65      -9.1202      1.00000
     66      -9.0850      1.00000
     67      -9.0707      1.00000
     68      -9.0697      1.00000
     69      -9.0688      1.00000
     70      -9.0643      1.00000
     71      -9.0638      1.00000
     72      -9.0378      1.00000
     73      -9.0275      1.00000
     74      -9.0257      1.00000
     75      -8.1290      1.00000
     76      -7.7459      1.00000
     77      -7.4695      1.00000
     78      -7.4654      1.00000
     79      -7.4532      1.00000
     80      -7.4339      1.00000
     81      -7.4237      1.00000
     82      -7.4052      1.00000
     83      -7.3119      1.00000
     84      -7.2704      1.00000
     85      -7.2567      1.00000
     86      -7.2478      1.00000
     87      -7.1492      1.00000
     88      -7.0480      1.00000
     89      -6.4455      1.00000
     90      -6.4150      1.00000
     91      -6.3995      1.00000
     92      -6.3627      1.00000
     93      -6.3524      1.00000
     94      -6.3397      1.00000
     95      -5.9597      1.00000
     96      -5.9562      1.00000
     97      -4.8062      1.00000
     98      -4.5443      1.00000
     99      -4.4809      1.00000
    100      -4.4743      1.00000
    101      -4.3818      1.00000
    102      -4.3812      1.00000
    103      -4.2669      1.00000
    104      -4.1871      1.00000
    105      -3.7389      1.00000
    106      -3.4776      1.00000
    107      -1.8633      0.00000
    108      -1.6698      0.00000
    109      -1.6233      0.00000
    110      -1.5909      0.00000
    111      -1.5754      0.00000
    112      -1.5745      0.00000
    113      -0.4286      0.00000
    114       0.1472      0.00000
    115       0.1913      0.00000
    116       0.2550      0.00000
    117       0.2681      0.00000
    118       0.2715      0.00000
    119       0.4784      0.00000
    120       0.5583      0.00000
    121       1.2609      0.00000
    122       1.2933      0.00000
    123       1.5517      0.00000
    124       1.7718      0.00000
    125       1.7808      0.00000
    126       1.7838      0.00000
    127       1.7847      0.00000
    128       1.8326      0.00000
    129       1.9575      0.00000
    130       1.9723      0.00000
    131       1.9750      0.00000
    132       1.9892      0.00000
    133       1.9963      0.00000
    134       2.0889      0.00000
    135       2.2675      0.00000
    136       2.3440      0.00000
    137       2.6360      0.00000
    138       2.6360      0.00000
    139       2.6669      0.00000
    140       2.7234      0.00000
    141       2.9484      0.00000
    142       3.0261      0.00000
    143       3.0327      0.00000
    144       3.0617      0.00000
    145       3.0630      0.00000
    146       3.0655      0.00000
    147       3.0941      0.00000
    148       3.2878      0.00000
    149       3.4515      0.00000
    150       3.5214      0.00000
    151       3.8242      0.00000
    152       3.9610      0.00000
    153       3.9705      0.00000
    154       3.9725      0.00000
    155       3.9770      0.00000
    156       4.0035      0.00000
    157       4.1905      0.00000
    158       4.2676      0.00000
    159       4.2757      0.00000
    160       4.2894      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3891      1.00000
      2     -21.8300      1.00000
      3     -21.6376      1.00000
      4     -21.6098      1.00000
      5     -21.2741      1.00000
      6     -21.2347      1.00000
      7     -21.0563      1.00000
      8     -20.1672      1.00000
      9     -20.1289      1.00000
     10     -19.6081      1.00000
     11     -19.5967      1.00000
     12     -19.4167      1.00000
     13     -19.0891      1.00000
     14     -19.0596      1.00000
     15     -19.0484      1.00000
     16     -19.0405      1.00000
     17     -18.3602      1.00000
     18     -18.3514      1.00000
     19     -18.0186      1.00000
     20     -17.0687      1.00000
     21     -17.0300      1.00000
     22     -16.9436      1.00000
     23     -16.9393      1.00000
     24     -16.4673      1.00000
     25     -16.4627      1.00000
     26     -15.6128      1.00000
     27     -15.6070      1.00000
     28     -15.2519      1.00000
     29     -15.2429      1.00000
     30     -15.1845      1.00000
     31     -15.0979      1.00000
     32     -15.0705      1.00000
     33     -14.6979      1.00000
     34     -14.6956      1.00000
     35     -13.7261      1.00000
     36     -13.7229      1.00000
     37     -13.2356      1.00000
     38     -12.6143      1.00000
     39     -12.5836      1.00000
     40     -12.4541      1.00000
     41     -12.4498      1.00000
     42     -12.1089      1.00000
     43     -12.1036      1.00000
     44     -11.7161      1.00000
     45     -11.6852      1.00000
     46     -11.2345      1.00000
     47     -11.2258      1.00000
     48     -11.0175      1.00000
     49     -11.0093      1.00000
     50     -10.9255      1.00000
     51     -10.9043      1.00000
     52     -10.6305      1.00000
     53     -10.1551      1.00000
     54     -10.1502      1.00000
     55     -10.0919      1.00000
     56      -9.9980      1.00000
     57      -9.7015      1.00000
     58      -9.6952      1.00000
     59      -9.6550      1.00000
     60      -9.5916      1.00000
     61      -9.5752      1.00000
     62      -9.5584      1.00000
     63      -9.3072      1.00000
     64      -9.3027      1.00000
     65      -9.2733      1.00000
     66      -9.2353      1.00000
     67      -9.1359      1.00000
     68      -9.1158      1.00000
     69      -9.1101      1.00000
     70      -8.9389      1.00000
     71      -8.8709      1.00000
     72      -8.6032      1.00000
     73      -8.5904      1.00000
     74      -8.2358      1.00000
     75      -8.1009      1.00000
     76      -7.9128      1.00000
     77      -7.8626      1.00000
     78      -7.7721      1.00000
     79      -7.7561      1.00000
     80      -7.6911      1.00000
     81      -7.5601      1.00000
     82      -7.3395      1.00000
     83      -7.3221      1.00000
     84      -7.2036      1.00000
     85      -7.1223      1.00000
     86      -7.0311      1.00000
     87      -7.0110      1.00000
     88      -6.7038      1.00000
     89      -6.6770      1.00000
     90      -6.6401      1.00000
     91      -6.5970      1.00000
     92      -6.1165      1.00000
     93      -6.0614      1.00000
     94      -6.0301      1.00000
     95      -6.0107      1.00000
     96      -5.7826      1.00000
     97      -4.9741      1.00000
     98      -4.8318      1.00000
     99      -4.7464      1.00000
    100      -4.6790      1.00000
    101      -4.4686      1.00000
    102      -4.2033      1.00000
    103      -4.1718      1.00000
    104      -4.1274      1.00000
    105      -3.7293      1.00000
    106      -3.4879      1.00000
    107      -1.8708      0.00000
    108      -1.8081      0.00000
    109      -1.5247      0.00000
    110      -1.3764      0.00000
    111      -1.3216      0.00000
    112      -1.2877      0.00000
    113      -0.7202      0.00000
    114      -0.3760      0.00000
    115      -0.2489      0.00000
    116       0.0380      0.00000
    117       0.5642      0.00000
    118       0.7010      0.00000
    119       0.7470      0.00000
    120       1.0498      0.00000
    121       1.0996      0.00000
    122       1.1548      0.00000
    123       1.2294      0.00000
    124       1.3874      0.00000
    125       1.5326      0.00000
    126       1.6004      0.00000
    127       1.7204      0.00000
    128       1.7982      0.00000
    129       1.8572      0.00000
    130       1.8837      0.00000
    131       2.1010      0.00000
    132       2.2020      0.00000
    133       2.2484      0.00000
    134       2.3219      0.00000
    135       2.5256      0.00000
    136       2.6083      0.00000
    137       2.6133      0.00000
    138       2.7860      0.00000
    139       2.7952      0.00000
    140       2.8246      0.00000
    141       2.8296      0.00000
    142       2.9023      0.00000
    143       2.9356      0.00000
    144       3.1033      0.00000
    145       3.1693      0.00000
    146       3.3225      0.00000
    147       3.3536      0.00000
    148       3.4042      0.00000
    149       3.4746      0.00000
    150       3.6075      0.00000
    151       3.6456      0.00000
    152       3.6694      0.00000
    153       3.7175      0.00000
    154       3.9235      0.00000
    155       3.9655      0.00000
    156       4.0258      0.00000
    157       4.0707      0.00000
    158       4.2496      0.00000
    159       4.2598      0.00000
    160       4.2830      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2831      1.00000
      2     -22.0774      1.00000
      3     -21.7161      1.00000
      4     -21.6842      1.00000
      5     -20.9789      1.00000
      6     -20.9383      1.00000
      7     -20.6114      1.00000
      8     -20.5746      1.00000
      9     -20.5685      1.00000
     10     -20.0321      1.00000
     11     -19.5029      1.00000
     12     -19.4909      1.00000
     13     -19.3063      1.00000
     14     -19.3008      1.00000
     15     -18.4472      1.00000
     16     -18.4105      1.00000
     17     -17.9219      1.00000
     18     -17.9121      1.00000
     19     -17.7611      1.00000
     20     -17.7254      1.00000
     21     -17.4355      1.00000
     22     -17.4278      1.00000
     23     -17.3405      1.00000
     24     -16.4622      1.00000
     25     -16.4611      1.00000
     26     -15.9667      1.00000
     27     -15.4131      1.00000
     28     -15.4085      1.00000
     29     -15.0955      1.00000
     30     -15.0926      1.00000
     31     -14.8546      1.00000
     32     -14.8466      1.00000
     33     -14.2903      1.00000
     34     -14.2570      1.00000
     35     -13.4368      1.00000
     36     -13.4037      1.00000
     37     -13.1771      1.00000
     38     -13.1730      1.00000
     39     -12.9814      1.00000
     40     -12.9763      1.00000
     41     -12.6128      1.00000
     42     -12.6086      1.00000
     43     -12.1977      1.00000
     44     -11.5753      1.00000
     45     -11.5416      1.00000
     46     -11.3095      1.00000
     47     -11.2868      1.00000
     48     -11.1421      1.00000
     49     -10.6752      1.00000
     50     -10.6606      1.00000
     51     -10.5526      1.00000
     52     -10.3238      1.00000
     53     -10.3167      1.00000
     54     -10.1685      1.00000
     55     -10.1152      1.00000
     56     -10.1117      1.00000
     57      -9.7974      1.00000
     58      -9.7656      1.00000
     59      -9.7508      1.00000
     60      -9.6989      1.00000
     61      -9.6974      1.00000
     62      -9.6612      1.00000
     63      -9.3550      1.00000
     64      -9.3501      1.00000
     65      -9.3141      1.00000
     66      -9.0404      1.00000
     67      -8.9626      1.00000
     68      -8.9482      1.00000
     69      -8.7988      1.00000
     70      -8.5937      1.00000
     71      -8.5569      1.00000
     72      -8.3976      1.00000
     73      -8.3643      1.00000
     74      -8.3237      1.00000
     75      -8.3067      1.00000
     76      -8.2580      1.00000
     77      -8.2565      1.00000
     78      -8.2351      1.00000
     79      -7.9038      1.00000
     80      -7.6503      1.00000
     81      -7.5488      1.00000
     82      -7.3871      1.00000
     83      -7.3490      1.00000
     84      -7.2313      1.00000
     85      -7.0956      1.00000
     86      -7.0376      1.00000
     87      -6.9331      1.00000
     88      -6.8471      1.00000
     89      -6.6113      1.00000
     90      -6.5592      1.00000
     91      -6.2685      1.00000
     92      -6.0431      1.00000
     93      -5.9510      1.00000
     94      -5.6621      1.00000
     95      -5.6220      1.00000
     96      -5.4627      1.00000
     97      -5.3195      1.00000
     98      -5.2781      1.00000
     99      -5.2132      1.00000
    100      -5.1933      1.00000
    101      -4.5083      1.00000
    102      -4.2076      1.00000
    103      -4.0592      1.00000
    104      -3.9886      1.00000
    105      -3.6941      1.00000
    106      -3.4982      1.00000
    107      -1.9459      0.00000
    108      -1.8959      0.00000
    109      -1.3395      0.00000
    110      -1.0850      0.00000
    111      -1.0571      0.00000
    112      -0.8006      0.00000
    113      -0.6766      0.00000
    114      -0.6471      0.00000
    115      -0.6070      0.00000
    116      -0.1075      0.00000
    117       0.2156      0.00000
    118       0.3299      0.00000
    119       0.7031      0.00000
    120       0.8958      0.00000
    121       1.1299      0.00000
    122       1.1999      0.00000
    123       1.3353      0.00000
    124       1.4313      0.00000
    125       1.5580      0.00000
    126       1.5779      0.00000
    127       1.6962      0.00000
    128       1.8116      0.00000
    129       1.8898      0.00000
    130       2.0623      0.00000
    131       2.1083      0.00000
    132       2.3040      0.00000
    133       2.3544      0.00000
    134       2.4127      0.00000
    135       2.5647      0.00000
    136       2.6376      0.00000
    137       2.7261      0.00000
    138       2.7401      0.00000
    139       2.7983      0.00000
    140       2.8888      0.00000
    141       3.0558      0.00000
    142       3.0665      0.00000
    143       3.1788      0.00000
    144       3.2743      0.00000
    145       3.3699      0.00000
    146       3.4253      0.00000
    147       3.4459      0.00000
    148       3.5697      0.00000
    149       3.5885      0.00000
    150       3.6113      0.00000
    151       3.6633      0.00000
    152       3.6840      0.00000
    153       3.7717      0.00000
    154       3.7789      0.00000
    155       3.8122      0.00000
    156       3.8952      0.00000
    157       3.9357      0.00000
    158       3.9987      0.00000
    159       4.2225      0.00000
    160       4.2318      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3170      1.00000
      2     -21.9623      1.00000
      3     -21.8931      1.00000
      4     -21.3804      1.00000
      5     -21.3511      1.00000
      6     -20.8393      1.00000
      7     -20.7739      1.00000
      8     -20.6237      1.00000
      9     -20.0769      1.00000
     10     -20.0714      1.00000
     11     -19.7164      1.00000
     12     -19.6918      1.00000
     13     -18.9958      1.00000
     14     -18.9902      1.00000
     15     -18.6399      1.00000
     16     -18.6240      1.00000
     17     -18.4618      1.00000
     18     -17.6750      1.00000
     19     -17.6246      1.00000
     20     -17.6218      1.00000
     21     -17.5799      1.00000
     22     -17.1261      1.00000
     23     -17.1043      1.00000
     24     -16.9615      1.00000
     25     -16.0013      1.00000
     26     -15.9281      1.00000
     27     -15.5854      1.00000
     28     -15.5852      1.00000
     29     -15.2859      1.00000
     30     -14.8639      1.00000
     31     -14.8364      1.00000
     32     -14.5789      1.00000
     33     -14.5369      1.00000
     34     -14.1673      1.00000
     35     -14.1539      1.00000
     36     -13.1482      1.00000
     37     -13.1005      1.00000
     38     -13.0296      1.00000
     39     -13.0193      1.00000
     40     -12.7089      1.00000
     41     -12.7050      1.00000
     42     -12.3406      1.00000
     43     -12.3093      1.00000
     44     -11.6348      1.00000
     45     -11.6211      1.00000
     46     -11.5705      1.00000
     47     -10.9483      1.00000
     48     -10.9154      1.00000
     49     -10.6325      1.00000
     50     -10.6249      1.00000
     51     -10.5471      1.00000
     52     -10.4986      1.00000
     53     -10.4984      1.00000
     54     -10.4402      1.00000
     55     -10.3610      1.00000
     56     -10.0988      1.00000
     57      -9.9027      1.00000
     58      -9.6094      1.00000
     59      -9.5568      1.00000
     60      -9.4516      1.00000
     61      -9.4110      1.00000
     62      -9.4045      1.00000
     63      -9.3775      1.00000
     64      -9.3774      1.00000
     65      -9.2867      1.00000
     66      -9.1673      1.00000
     67      -9.1419      1.00000
     68      -9.1130      1.00000
     69      -8.8635      1.00000
     70      -8.8560      1.00000
     71      -8.8145      1.00000
     72      -8.5962      1.00000
     73      -8.4794      1.00000
     74      -8.1976      1.00000
     75      -8.1622      1.00000
     76      -8.0079      1.00000
     77      -7.9637      1.00000
     78      -7.8517      1.00000
     79      -7.8410      1.00000
     80      -7.7041      1.00000
     81      -7.6969      1.00000
     82      -7.6211      1.00000
     83      -7.4480      1.00000
     84      -7.2994      1.00000
     85      -7.2524      1.00000
     86      -6.9056      1.00000
     87      -6.8918      1.00000
     88      -6.5878      1.00000
     89      -6.5505      1.00000
     90      -6.4076      1.00000
     91      -6.2528      1.00000
     92      -6.2320      1.00000
     93      -6.2033      1.00000
     94      -6.0224      1.00000
     95      -5.5493      1.00000
     96      -5.4884      1.00000
     97      -5.3499      1.00000
     98      -5.2190      1.00000
     99      -4.9791      1.00000
    100      -4.7323      1.00000
    101      -4.6776      1.00000
    102      -4.3869      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5462      1.00000
    106      -3.5103      1.00000
    107      -2.2553      0.00000
    108      -1.4575      0.00000
    109      -1.3699      0.00000
    110      -1.2413      0.00000
    111      -1.0980      0.00000
    112      -0.9453      0.00000
    113      -0.8639      0.00000
    114      -0.8035      0.00000
    115      -0.1386      0.00000
    116       0.1125      0.00000
    117       0.2414      0.00000
    118       0.3783      0.00000
    119       0.6612      0.00000
    120       0.8369      0.00000
    121       0.9369      0.00000
    122       1.0713      0.00000
    123       1.2434      0.00000
    124       1.4549      0.00000
    125       1.5708      0.00000
    126       1.7663      0.00000
    127       1.7930      0.00000
    128       1.8650      0.00000
    129       1.9895      0.00000
    130       2.0453      0.00000
    131       2.1868      0.00000
    132       2.1936      0.00000
    133       2.4247      0.00000
    134       2.4254      0.00000
    135       2.5039      0.00000
    136       2.6051      0.00000
    137       2.6348      0.00000
    138       2.7068      0.00000
    139       2.7871      0.00000
    140       2.8513      0.00000
    141       2.9676      0.00000
    142       3.0929      0.00000
    143       3.1823      0.00000
    144       3.2110      0.00000
    145       3.2381      0.00000
    146       3.3317      0.00000
    147       3.3365      0.00000
    148       3.4752      0.00000
    149       3.5185      0.00000
    150       3.6996      0.00000
    151       3.7232      0.00000
    152       3.7306      0.00000
    153       3.8676      0.00000
    154       3.9072      0.00000
    155       3.9579      0.00000
    156       3.9807      0.00000
    157       3.9951      0.00000
    158       4.0365      0.00000
    159       4.0582      0.00000
    160       4.0659      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2101      1.00000
      2     -22.1170      1.00000
      3     -21.9563      1.00000
      4     -21.4039      1.00000
      5     -21.0494      1.00000
      6     -21.0134      1.00000
      7     -20.5003      1.00000
      8     -20.4607      1.00000
      9     -20.2945      1.00000
     10     -20.2752      1.00000
     11     -19.9570      1.00000
     12     -19.8913      1.00000
     13     -18.8820      1.00000
     14     -18.8132      1.00000
     15     -18.3526      1.00000
     16     -18.3063      1.00000
     17     -18.1526      1.00000
     18     -18.1354      1.00000
     19     -17.8264      1.00000
     20     -17.7888      1.00000
     21     -17.2515      1.00000
     22     -17.2412      1.00000
     23     -17.1644      1.00000
     24     -17.1324      1.00000
     25     -16.1099      1.00000
     26     -15.8847      1.00000
     27     -15.8698      1.00000
     28     -15.8336      1.00000
     29     -15.2361      1.00000
     30     -14.5545      1.00000
     31     -14.5266      1.00000
     32     -14.2798      1.00000
     33     -13.9639      1.00000
     34     -13.9563      1.00000
     35     -13.8202      1.00000
     36     -13.8044      1.00000
     37     -13.6141      1.00000
     38     -13.5703      1.00000
     39     -13.3694      1.00000
     40     -12.6342      1.00000
     41     -12.1805      1.00000
     42     -12.1325      1.00000
     43     -12.0712      1.00000
     44     -12.0190      1.00000
     45     -11.6698      1.00000
     46     -11.6563      1.00000
     47     -11.1384      1.00000
     48     -11.1179      1.00000
     49     -10.7937      1.00000
     50     -10.7302      1.00000
     51     -10.5286      1.00000
     52     -10.2095      1.00000
     53     -10.2047      1.00000
     54     -10.1638      1.00000
     55     -10.0179      1.00000
     56     -10.0037      1.00000
     57      -9.9901      1.00000
     58      -9.8012      1.00000
     59      -9.7975      1.00000
     60      -9.7622      1.00000
     61      -9.7572      1.00000
     62      -9.4535      1.00000
     63      -9.4167      1.00000
     64      -9.0799      1.00000
     65      -9.0728      1.00000
     66      -9.0404      1.00000
     67      -8.9546      1.00000
     68      -8.8765      1.00000
     69      -8.7122      1.00000
     70      -8.6997      1.00000
     71      -8.5649      1.00000
     72      -8.5420      1.00000
     73      -8.4985      1.00000
     74      -8.4631      1.00000
     75      -8.4521      1.00000
     76      -8.2597      1.00000
     77      -8.1248      1.00000
     78      -8.0427      1.00000
     79      -7.9159      1.00000
     80      -7.8626      1.00000
     81      -7.6141      1.00000
     82      -7.5477      1.00000
     83      -7.4886      1.00000
     84      -7.2671      1.00000
     85      -6.9959      1.00000
     86      -6.9233      1.00000
     87      -6.8825      1.00000
     88      -6.5315      1.00000
     89      -6.4862      1.00000
     90      -6.4604      1.00000
     91      -6.4094      1.00000
     92      -5.9833      1.00000
     93      -5.8969      1.00000
     94      -5.7839      1.00000
     95      -5.7590      1.00000
     96      -5.4315      1.00000
     97      -5.3289      1.00000
     98      -5.2294      1.00000
     99      -5.2171      1.00000
    100      -5.1880      1.00000
    101      -4.6919      1.00000
    102      -4.4210      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5295      1.00000
    106      -3.2739      1.00000
    107      -2.5306      0.00000
    108      -1.4588      0.00000
    109      -1.2658      0.00000
    110      -1.2027      0.00000
    111      -1.1720      0.00000
    112      -0.7200      0.00000
    113      -0.5035      0.00000
    114      -0.4119      0.00000
    115      -0.3388      0.00000
    116      -0.1459      0.00000
    117      -0.0030      0.00000
    118       0.1950      0.00000
    119       0.5629      0.00000
    120       0.6129      0.00000
    121       0.8042      0.00000
    122       0.9165      0.00000
    123       1.1425      0.00000
    124       1.5072      0.00000
    125       1.6461      0.00000
    126       1.8749      0.00000
    127       1.9397      0.00000
    128       2.1140      0.00000
    129       2.1168      0.00000
    130       2.1323      0.00000
    131       2.1706      0.00000
    132       2.2804      0.00000
    133       2.3207      0.00000
    134       2.4569      0.00000
    135       2.5786      0.00000
    136       2.6672      0.00000
    137       2.8624      0.00000
    138       2.8730      0.00000
    139       2.9043      0.00000
    140       3.0262      0.00000
    141       3.0358      0.00000
    142       3.1523      0.00000
    143       3.1538      0.00000
    144       3.2380      0.00000
    145       3.2800      0.00000
    146       3.2916      0.00000
    147       3.3086      0.00000
    148       3.3542      0.00000
    149       3.4359      0.00000
    150       3.4540      0.00000
    151       3.5632      0.00000
    152       3.6248      0.00000
    153       3.6773      0.00000
    154       3.7117      0.00000
    155       3.7880      0.00000
    156       3.9036      0.00000
    157       3.9511      0.00000
    158       4.0165      0.00000
    159       4.1538      0.00000
    160       4.2396      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3168      1.00000
      2     -21.9639      1.00000
      3     -21.8916      1.00000
      4     -21.3842      1.00000
      5     -21.3477      1.00000
      6     -20.8389      1.00000
      7     -20.7725      1.00000
      8     -20.6244      1.00000
      9     -20.0891      1.00000
     10     -20.0604      1.00000
     11     -19.7179      1.00000
     12     -19.6891      1.00000
     13     -19.0094      1.00000
     14     -18.9782      1.00000
     15     -18.6493      1.00000
     16     -18.6167      1.00000
     17     -18.4600      1.00000
     18     -17.6602      1.00000
     19     -17.6460      1.00000
     20     -17.6100      1.00000
     21     -17.5774      1.00000
     22     -17.1369      1.00000
     23     -17.0969      1.00000
     24     -16.9654      1.00000
     25     -16.0078      1.00000
     26     -15.9228      1.00000
     27     -15.5982      1.00000
     28     -15.5747      1.00000
     29     -15.2795      1.00000
     30     -14.8761      1.00000
     31     -14.8291      1.00000
     32     -14.5740      1.00000
     33     -14.5363      1.00000
     34     -14.1637      1.00000
     35     -14.1596      1.00000
     36     -13.1617      1.00000
     37     -13.0950      1.00000
     38     -13.0223      1.00000
     39     -13.0179      1.00000
     40     -12.7172      1.00000
     41     -12.6940      1.00000
     42     -12.3402      1.00000
     43     -12.3130      1.00000
     44     -11.6315      1.00000
     45     -11.6223      1.00000
     46     -11.5698      1.00000
     47     -10.9405      1.00000
     48     -10.9225      1.00000
     49     -10.6686      1.00000
     50     -10.5890      1.00000
     51     -10.5726      1.00000
     52     -10.5009      1.00000
     53     -10.4882      1.00000
     54     -10.4382      1.00000
     55     -10.3551      1.00000
     56     -10.1031      1.00000
     57      -9.8969      1.00000
     58      -9.6075      1.00000
     59      -9.5503      1.00000
     60      -9.4536      1.00000
     61      -9.4185      1.00000
     62      -9.4085      1.00000
     63      -9.3784      1.00000
     64      -9.3711      1.00000
     65      -9.2668      1.00000
     66      -9.1653      1.00000
     67      -9.1411      1.00000
     68      -9.1157      1.00000
     69      -8.8658      1.00000
     70      -8.8597      1.00000
     71      -8.8018      1.00000
     72      -8.5957      1.00000
     73      -8.5260      1.00000
     74      -8.1930      1.00000
     75      -8.1701      1.00000
     76      -8.0751      1.00000
     77      -7.8566      1.00000
     78      -7.8364      1.00000
     79      -7.8229      1.00000
     80      -7.7101      1.00000
     81      -7.6954      1.00000
     82      -7.5964      1.00000
     83      -7.5293      1.00000
     84      -7.3494      1.00000
     85      -7.1666      1.00000
     86      -6.9053      1.00000
     87      -6.8950      1.00000
     88      -6.5918      1.00000
     89      -6.5505      1.00000
     90      -6.4049      1.00000
     91      -6.3015      1.00000
     92      -6.2468      1.00000
     93      -6.2013      1.00000
     94      -6.0033      1.00000
     95      -5.5313      1.00000
     96      -5.4647      1.00000
     97      -5.3135      1.00000
     98      -5.2089      1.00000
     99      -5.0465      1.00000
    100      -4.7231      1.00000
    101      -4.6713      1.00000
    102      -4.4235      1.00000
    103      -4.1946      1.00000
    104      -3.8428      1.00000
    105      -3.6344      1.00000
    106      -3.4159      1.00000
    107      -2.2927      0.00000
    108      -1.5099      0.00000
    109      -1.2698      0.00000
    110      -1.2621      0.00000
    111      -1.0342      0.00000
    112      -0.9764      0.00000
    113      -0.8678      0.00000
    114      -0.7993      0.00000
    115      -0.2611      0.00000
    116       0.2041      0.00000
    117       0.2396      0.00000
    118       0.3613      0.00000
    119       0.6996      0.00000
    120       0.8953      0.00000
    121       0.9249      0.00000
    122       1.0477      0.00000
    123       1.1759      0.00000
    124       1.5175      0.00000
    125       1.5779      0.00000
    126       1.7179      0.00000
    127       1.7801      0.00000
    128       1.8306      0.00000
    129       1.9551      0.00000
    130       2.0051      0.00000
    131       2.1759      0.00000
    132       2.2814      0.00000
    133       2.4253      0.00000
    134       2.4358      0.00000
    135       2.4997      0.00000
    136       2.6022      0.00000
    137       2.6187      0.00000
    138       2.7113      0.00000
    139       2.7655      0.00000
    140       2.8795      0.00000
    141       3.0489      0.00000
    142       3.0918      0.00000
    143       3.1801      0.00000
    144       3.2300      0.00000
    145       3.2414      0.00000
    146       3.3054      0.00000
    147       3.3637      0.00000
    148       3.4621      0.00000
    149       3.5369      0.00000
    150       3.7007      0.00000
    151       3.7201      0.00000
    152       3.7554      0.00000
    153       3.8363      0.00000
    154       3.8905      0.00000
    155       3.9440      0.00000
    156       3.9849      0.00000
    157       4.0004      0.00000
    158       4.0247      0.00000
    159       4.0440      0.00000
    160       4.0835      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3890      1.00000
      2     -21.8302      1.00000
      3     -21.6409      1.00000
      4     -21.6059      1.00000
      5     -21.2783      1.00000
      6     -21.2312      1.00000
      7     -21.0558      1.00000
      8     -20.1709      1.00000
      9     -20.1247      1.00000
     10     -19.6168      1.00000
     11     -19.5901      1.00000
     12     -19.4149      1.00000
     13     -19.0942      1.00000
     14     -19.0556      1.00000
     15     -19.0511      1.00000
     16     -19.0378      1.00000
     17     -18.3666      1.00000
     18     -18.3463      1.00000
     19     -18.0159      1.00000
     20     -17.0717      1.00000
     21     -17.0229      1.00000
     22     -16.9492      1.00000
     23     -16.9352      1.00000
     24     -16.4743      1.00000
     25     -16.4628      1.00000
     26     -15.6092      1.00000
     27     -15.6088      1.00000
     28     -15.2497      1.00000
     29     -15.2370      1.00000
     30     -15.1903      1.00000
     31     -15.1005      1.00000
     32     -15.0670      1.00000
     33     -14.6983      1.00000
     34     -14.6969      1.00000
     35     -13.7249      1.00000
     36     -13.7244      1.00000
     37     -13.2339      1.00000
     38     -12.6236      1.00000
     39     -12.5789      1.00000
     40     -12.4537      1.00000
     41     -12.4481      1.00000
     42     -12.1053      1.00000
     43     -12.0998      1.00000
     44     -11.7218      1.00000
     45     -11.6832      1.00000
     46     -11.2452      1.00000
     47     -11.2240      1.00000
     48     -11.0166      1.00000
     49     -11.0047      1.00000
     50     -10.9276      1.00000
     51     -10.8990      1.00000
     52     -10.6366      1.00000
     53     -10.1711      1.00000
     54     -10.1483      1.00000
     55     -10.0831      1.00000
     56      -9.9914      1.00000
     57      -9.6955      1.00000
     58      -9.6892      1.00000
     59      -9.6696      1.00000
     60      -9.5911      1.00000
     61      -9.5676      1.00000
     62      -9.5530      1.00000
     63      -9.3117      1.00000
     64      -9.2988      1.00000
     65      -9.2823      1.00000
     66      -9.2435      1.00000
     67      -9.1214      1.00000
     68      -9.1112      1.00000
     69      -9.1098      1.00000
     70      -8.9387      1.00000
     71      -8.8760      1.00000
     72      -8.6049      1.00000
     73      -8.5868      1.00000
     74      -8.2704      1.00000
     75      -8.0996      1.00000
     76      -7.8684      1.00000
     77      -7.8428      1.00000
     78      -7.7899      1.00000
     79      -7.7639      1.00000
     80      -7.7544      1.00000
     81      -7.4467      1.00000
     82      -7.3337      1.00000
     83      -7.3214      1.00000
     84      -7.2652      1.00000
     85      -7.1617      1.00000
     86      -7.0159      1.00000
     87      -6.9854      1.00000
     88      -6.7168      1.00000
     89      -6.6898      1.00000
     90      -6.6310      1.00000
     91      -6.5896      1.00000
     92      -6.1157      1.00000
     93      -6.0591      1.00000
     94      -6.0439      1.00000
     95      -6.0290      1.00000
     96      -5.7473      1.00000
     97      -4.9744      1.00000
     98      -4.8391      1.00000
     99      -4.7084      1.00000
    100      -4.6732      1.00000
    101      -4.4833      1.00000
    102      -4.3524      1.00000
    103      -4.1112      1.00000
    104      -4.0552      1.00000
    105      -3.7547      1.00000
    106      -3.4654      1.00000
    107      -1.9518      0.00000
    108      -1.7709      0.00000
    109      -1.4797      0.00000
    110      -1.3554      0.00000
    111      -1.3353      0.00000
    112      -1.2915      0.00000
    113      -0.6775      0.00000
    114      -0.4716      0.00000
    115      -0.2360      0.00000
    116       0.0527      0.00000
    117       0.5976      0.00000
    118       0.6917      0.00000
    119       0.7705      0.00000
    120       1.0250      0.00000
    121       1.0973      0.00000
    122       1.1803      0.00000
    123       1.2541      0.00000
    124       1.3428      0.00000
    125       1.4459      0.00000
    126       1.6162      0.00000
    127       1.7508      0.00000
    128       1.8463      0.00000
    129       1.8567      0.00000
    130       1.8927      0.00000
    131       2.0421      0.00000
    132       2.2262      0.00000
    133       2.2503      0.00000
    134       2.3050      0.00000
    135       2.4856      0.00000
    136       2.6087      0.00000
    137       2.6410      0.00000
    138       2.7751      0.00000
    139       2.7918      0.00000
    140       2.8348      0.00000
    141       2.8412      0.00000
    142       2.8520      0.00000
    143       2.9264      0.00000
    144       3.1098      0.00000
    145       3.3201      0.00000
    146       3.3442      0.00000
    147       3.3829      0.00000
    148       3.4088      0.00000
    149       3.4328      0.00000
    150       3.5954      0.00000
    151       3.6372      0.00000
    152       3.6856      0.00000
    153       3.7405      0.00000
    154       3.9043      0.00000
    155       3.9352      0.00000
    156       3.9565      0.00000
    157       4.1078      0.00000
    158       4.2138      0.00000
    159       4.2681      0.00000
    160       4.2886      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2092      1.00000
      2     -22.1183      1.00000
      3     -21.9560      1.00000
      4     -21.4041      1.00000
      5     -21.0455      1.00000
      6     -21.0171      1.00000
      7     -20.4954      1.00000
      8     -20.4655      1.00000
      9     -20.2855      1.00000
     10     -20.2835      1.00000
     11     -19.9562      1.00000
     12     -19.8930      1.00000
     13     -18.8830      1.00000
     14     -18.8153      1.00000
     15     -18.3371      1.00000
     16     -18.3177      1.00000
     17     -18.1486      1.00000
     18     -18.1409      1.00000
     19     -17.8152      1.00000
     20     -17.7968      1.00000
     21     -17.2576      1.00000
     22     -17.2381      1.00000
     23     -17.1596      1.00000
     24     -17.1351      1.00000
     25     -16.1150      1.00000
     26     -15.8803      1.00000
     27     -15.8691      1.00000
     28     -15.8399      1.00000
     29     -15.2305      1.00000
     30     -14.5507      1.00000
     31     -14.5324      1.00000
     32     -14.2753      1.00000
     33     -13.9739      1.00000
     34     -13.9501      1.00000
     35     -13.8236      1.00000
     36     -13.8017      1.00000
     37     -13.6038      1.00000
     38     -13.5783      1.00000
     39     -13.3692      1.00000
     40     -12.6375      1.00000
     41     -12.1688      1.00000
     42     -12.1422      1.00000
     43     -12.0679      1.00000
     44     -12.0210      1.00000
     45     -11.6635      1.00000
     46     -11.6588      1.00000
     47     -11.1366      1.00000
     48     -11.1256      1.00000
     49     -10.7908      1.00000
     50     -10.7344      1.00000
     51     -10.5353      1.00000
     52     -10.2071      1.00000
     53     -10.2011      1.00000
     54     -10.1695      1.00000
     55     -10.0217      1.00000
     56      -9.9933      1.00000
     57      -9.9890      1.00000
     58      -9.8041      1.00000
     59      -9.7948      1.00000
     60      -9.7637      1.00000
     61      -9.7564      1.00000
     62      -9.4549      1.00000
     63      -9.4167      1.00000
     64      -9.0837      1.00000
     65      -9.0448      1.00000
     66      -9.0247      1.00000
     67      -8.9703      1.00000
     68      -8.8972      1.00000
     69      -8.7070      1.00000
     70      -8.6980      1.00000
     71      -8.5606      1.00000
     72      -8.5499      1.00000
     73      -8.4772      1.00000
     74      -8.4591      1.00000
     75      -8.4562      1.00000
     76      -8.3079      1.00000
     77      -8.0943      1.00000
     78      -8.0885      1.00000
     79      -7.9250      1.00000
     80      -7.8308      1.00000
     81      -7.6002      1.00000
     82      -7.5379      1.00000
     83      -7.4420      1.00000
     84      -7.3136      1.00000
     85      -6.9921      1.00000
     86      -6.9177      1.00000
     87      -6.8803      1.00000
     88      -6.5287      1.00000
     89      -6.5146      1.00000
     90      -6.4811      1.00000
     91      -6.4198      1.00000
     92      -5.9263      1.00000
     93      -5.9048      1.00000
     94      -5.7883      1.00000
     95      -5.7741      1.00000
     96      -5.3690      1.00000
     97      -5.3622      1.00000
     98      -5.2200      1.00000
     99      -5.2148      1.00000
    100      -5.1979      1.00000
    101      -4.7200      1.00000
    102      -4.4420      1.00000
    103      -4.1907      1.00000
    104      -3.8204      1.00000
    105      -3.5658      1.00000
    106      -3.2206      1.00000
    107      -2.5629      0.00000
    108      -1.4639      0.00000
    109      -1.2657      0.00000
    110      -1.1854      0.00000
    111      -1.1839      0.00000
    112      -0.6447      0.00000
    113      -0.5509      0.00000
    114      -0.4149      0.00000
    115      -0.3474      0.00000
    116      -0.0768      0.00000
    117      -0.0625      0.00000
    118       0.1273      0.00000
    119       0.5927      0.00000
    120       0.6273      0.00000
    121       0.8645      0.00000
    122       0.9957      0.00000
    123       1.0113      0.00000
    124       1.5019      0.00000
    125       1.6948      0.00000
    126       1.7918      0.00000
    127       1.8777      0.00000
    128       2.1105      0.00000
    129       2.1290      0.00000
    130       2.1808      0.00000
    131       2.2101      0.00000
    132       2.2504      0.00000
    133       2.3367      0.00000
    134       2.4924      0.00000
    135       2.5036      0.00000
    136       2.6786      0.00000
    137       2.8531      0.00000
    138       2.8620      0.00000
    139       2.9647      0.00000
    140       3.0149      0.00000
    141       3.0516      0.00000
    142       3.1460      0.00000
    143       3.1641      0.00000
    144       3.2530      0.00000
    145       3.2604      0.00000
    146       3.2844      0.00000
    147       3.3110      0.00000
    148       3.3633      0.00000
    149       3.4286      0.00000
    150       3.5611      0.00000
    151       3.5749      0.00000
    152       3.6570      0.00000
    153       3.6619      0.00000
    154       3.6782      0.00000
    155       3.7115      0.00000
    156       3.9065      0.00000
    157       3.9695      0.00000
    158       4.0510      0.00000
    159       4.0979      0.00000
    160       4.2036      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2827      1.00000
      2     -22.0780      1.00000
      3     -21.7197      1.00000
      4     -21.6805      1.00000
      5     -20.9822      1.00000
      6     -20.9344      1.00000
      7     -20.6107      1.00000
      8     -20.5785      1.00000
      9     -20.5650      1.00000
     10     -20.0315      1.00000
     11     -19.5132      1.00000
     12     -19.4826      1.00000
     13     -19.3112      1.00000
     14     -19.2976      1.00000
     15     -18.4489      1.00000
     16     -18.4058      1.00000
     17     -17.9273      1.00000
     18     -17.9065      1.00000
     19     -17.7652      1.00000
     20     -17.7202      1.00000
     21     -17.4413      1.00000
     22     -17.4224      1.00000
     23     -17.3375      1.00000
     24     -16.4704      1.00000
     25     -16.4606      1.00000
     26     -15.9690      1.00000
     27     -15.4108      1.00000
     28     -15.4096      1.00000
     29     -15.0956      1.00000
     30     -15.0928      1.00000
     31     -14.8530      1.00000
     32     -14.8400      1.00000
     33     -14.2969      1.00000
     34     -14.2527      1.00000
     35     -13.4434      1.00000
     36     -13.3991      1.00000
     37     -13.1751      1.00000
     38     -13.1732      1.00000
     39     -12.9845      1.00000
     40     -12.9753      1.00000
     41     -12.6108      1.00000
     42     -12.6081      1.00000
     43     -12.1954      1.00000
     44     -11.5797      1.00000
     45     -11.5386      1.00000
     46     -11.3135      1.00000
     47     -11.2832      1.00000
     48     -11.1406      1.00000
     49     -10.6925      1.00000
     50     -10.6626      1.00000
     51     -10.5466      1.00000
     52     -10.3212      1.00000
     53     -10.3133      1.00000
     54     -10.1748      1.00000
     55     -10.1210      1.00000
     56     -10.1080      1.00000
     57      -9.8105      1.00000
     58      -9.7512      1.00000
     59      -9.7510      1.00000
     60      -9.7007      1.00000
     61      -9.6973      1.00000
     62      -9.6459      1.00000
     63      -9.3513      1.00000
     64      -9.3501      1.00000
     65      -9.3185      1.00000
     66      -9.0272      1.00000
     67      -8.9605      1.00000
     68      -8.9570      1.00000
     69      -8.7745      1.00000
     70      -8.5924      1.00000
     71      -8.5877      1.00000
     72      -8.4230      1.00000
     73      -8.3488      1.00000
     74      -8.3223      1.00000
     75      -8.3017      1.00000
     76      -8.2654      1.00000
     77      -8.2547      1.00000
     78      -8.2396      1.00000
     79      -7.9205      1.00000
     80      -7.7330      1.00000
     81      -7.3782      1.00000
     82      -7.3480      1.00000
     83      -7.3228      1.00000
     84      -7.2155      1.00000
     85      -7.1594      1.00000
     86      -7.0643      1.00000
     87      -6.9598      1.00000
     88      -6.9043      1.00000
     89      -6.6146      1.00000
     90      -6.5546      1.00000
     91      -6.2723      1.00000
     92      -5.9958      1.00000
     93      -5.9589      1.00000
     94      -5.6746      1.00000
     95      -5.6480      1.00000
     96      -5.3867      1.00000
     97      -5.3147      1.00000
     98      -5.2934      1.00000
     99      -5.2113      1.00000
    100      -5.1996      1.00000
    101      -4.5113      1.00000
    102      -4.3390      1.00000
    103      -3.9959      1.00000
    104      -3.8856      1.00000
    105      -3.7927      1.00000
    106      -3.4431      1.00000
    107      -2.0357      0.00000
    108      -1.8630      0.00000
    109      -1.2178      0.00000
    110      -1.1825      0.00000
    111      -1.0361      0.00000
    112      -0.7724      0.00000
    113      -0.6768      0.00000
    114      -0.6601      0.00000
    115      -0.6089      0.00000
    116      -0.1006      0.00000
    117       0.2232      0.00000
    118       0.2412      0.00000
    119       0.7799      0.00000
    120       0.9926      0.00000
    121       1.0756      0.00000
    122       1.2438      0.00000
    123       1.2530      0.00000
    124       1.3499      0.00000
    125       1.5831      0.00000
    126       1.5847      0.00000
    127       1.7216      0.00000
    128       1.7993      0.00000
    129       1.9600      0.00000
    130       1.9845      0.00000
    131       2.0564      0.00000
    132       2.2656      0.00000
    133       2.3425      0.00000
    134       2.4305      0.00000
    135       2.5578      0.00000
    136       2.6365      0.00000
    137       2.7337      0.00000
    138       2.8009      0.00000
    139       2.8550      0.00000
    140       2.8740      0.00000
    141       3.0528      0.00000
    142       3.1118      0.00000
    143       3.1707      0.00000
    144       3.2305      0.00000
    145       3.3786      0.00000
    146       3.4203      0.00000
    147       3.5171      0.00000
    148       3.5636      0.00000
    149       3.5933      0.00000
    150       3.6152      0.00000
    151       3.6598      0.00000
    152       3.7440      0.00000
    153       3.7565      0.00000
    154       3.7673      0.00000
    155       3.7848      0.00000
    156       3.8780      0.00000
    157       4.0233      0.00000
    158       4.1003      0.00000
    159       4.1818      0.00000
    160       4.2251      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0424   -7.3899    4.1986   -1.2758   -0.2386   17.5935    0.1478   -0.5325    0.6340   -0.4649
x    -3.0921   -0.0374   -0.0631    0.0617   -0.0091   -2.9774   -0.0110   -0.0070    0.0049    0.0016
x    -0.0965    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0424    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0942   -0.0088    0.0374    0.0376
y    -0.0457   -3.2474   -0.5378   -0.1638   -1.1793   -0.6054
z   204.0424    1.1245   -0.2802    0.0407    0.0091    0.0617    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0777    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1558
z    -0.2837    0.1868   -0.0387    0.0472   -0.1052    0.0013
 total charge-density along one line
x   212.0000  -10.2202    6.1466   -2.0857   -0.4744   19.5105   -0.9955    0.4742   -0.0448   -0.1262
x    -2.6451   -0.0277   -0.0610    0.0846   -0.0532   -2.2246   -0.0250   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2202    6.1466   -2.0857   -0.4744   19.5105   -0.9955    0.4742   -0.0447   -0.1262
y    -2.6451   -0.0277   -0.0610    0.0846   -0.0532   -2.2246   -0.0250   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4942  189.2962 -170.3687  153.6435 -139.4207  125.4107 -110.0958   93.9515  -78.3412
z    64.1356  -51.4861   40.4223  -31.2165   24.1188  -18.9354   15.0230  -11.7126    8.7111   -6.1184
z     4.1289   -2.7573    1.8201   -1.1100    0.5390   -0.1263   -0.1118    0.2283   -0.3095    0.3999
z    -0.4766    0.4934   -0.4403    0.3552   -0.2862    0.2512   -0.2333    0.2086   -0.1709    0.1317
z    -0.1037    0.0880   -0.0768    0.0637   -0.0491    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.031   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.158   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.415   0.000   0.077   0.585  -0.239   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.368  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.031   0.000   0.010   0.082   0.000  -0.239   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.264   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.262   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.645
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.645
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.647
 40        0.863   1.785   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.867  89.426   8.029 142.322
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  112.24: CPU time   56.97
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  434.20: CPU time  218.27
    STRESS:  VPU time 1304.85: CPU time  657.85
    FORCOR:  VPU time    8.64: CPU time    8.65
    FORHAR:  VPU time    2.28: CPU time    2.28
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force = 0.1130996E-06[ 0.114E-06, 0.113E-06]  d Energy = 0.1733753E-05-0.162E-05
 d Force =-0.7733298E-02[-0.773E-02,-0.773E-02]  d Ewald  = 0.2249553E+00-0.233E+00


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726375 eV

  energy  without entropy=     -471.726375  energy(sigma->0) =     -471.726375
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40839.52  40794.57 -47538.19    -38.93      0.00      0.00
  Hartree  40264.16  40245.12 -39522.89    -16.48      0.00      0.00
  E(xc)     -779.44   -779.72   -807.37     -0.25      0.00      0.00
  Local   -83387.79 -83332.72  84375.87     47.69      0.00      0.00
  n-local   -216.81   -215.67   -203.37      0.71      0.00      0.00
  augment     20.06     22.05     17.81      1.72      0.00      0.00
  Kinetic   3162.45   3175.98   3583.96      3.38      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.18     -0.18     -0.24      0.00      0.00      0.00
  in kB       -0.11     -0.11     -0.15      0.00      0.00      0.00
  external pressure =       -0.12 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345702695  0.001033011  0.000000000     0.080995933  0.046754055  0.000000000
    -6.171963376 10.692204745  0.000000000    -0.000007825  0.093521563  0.000000000
     0.000000000  0.000000000 19.983930511     0.000000000  0.000000000  0.050040206

  length of vectors
    12.345702738 12.345702662 19.983930511     0.093521563  0.093521564  0.050040206


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.474E-05 -.490E-04 -.952E+03   0.450E-05 -.278E-04 0.960E+03   -.169E-20 0.170E-20 -.868E+01   -.949E-08 0.607E-08 -.277E-02
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   0.624E-04 -.368E-04 -.351E-03
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   -.625E-04 0.368E-04 -.351E-03
   -.209E+01 0.121E+01 0.163E+02   0.210E+01 -.121E+01 -.163E+02   -.263E-02 0.152E-02 -.239E-01   -.142E-03 0.790E-04 0.163E-03
   0.619E+01 0.680E+01 0.194E+02   -.619E+01 -.681E+01 -.193E+02   0.500E-03 0.239E-01 -.273E-01   0.510E-04 -.128E-03 0.176E-03
   0.112E+02 0.512E+01 0.161E+02   -.112E+02 -.513E+01 -.161E+02   0.223E-01 0.560E-02 -.482E-01   0.893E-05 0.107E-03 0.146E-03
   0.472E+01 -.884E+00 0.126E+02   -.473E+01 0.892E+00 -.125E+02   0.163E-01 -.898E-02 -.183E-01   -.349E-04 0.198E-04 0.839E-04
   -.309E+01 -.252E+01 0.126E+02   0.310E+01 0.251E+01 -.126E+02   0.258E-02 0.632E-03 -.130E-01   -.883E-04 0.567E-04 0.123E-03
   0.632E+00 0.394E+01 0.126E+02   -.626E+00 -.394E+01 -.126E+02   0.743E-03 -.255E-02 -.130E-01   -.988E-04 0.419E-04 0.119E-03
   0.244E+01 0.189E+02 0.240E+02   -.244E+01 -.190E+02 -.240E+02   -.112E-02 0.101E+00 -.483E-01   0.522E-04 0.248E-03 0.190E-03
   0.226E+02 0.214E+02 0.422E+02   -.227E+02 -.217E+02 -.422E+02   0.838E-01 0.260E+00 -.607E-01   -.233E-03 0.131E-03 0.238E-03
   0.268E+02 -.345E+01 0.257E+02   -.271E+02 0.356E+01 -.256E+02   0.267E+00 -.110E+00 -.334E-01   0.756E-04 -.342E-04 0.196E-03
   0.916E+01 -.529E+01 0.136E+02   -.920E+01 0.531E+01 -.136E+02   0.427E-01 -.246E-01 -.119E-01   0.129E-04 -.138E-04 0.142E-03
   0.313E+01 -.364E+01 0.126E+02   -.314E+01 0.365E+01 -.125E+02   0.159E-01 -.959E-02 -.183E-01   -.368E-04 0.161E-04 0.763E-04
   -.594E+01 0.136E+02 0.161E+02   0.594E+01 -.137E+02 -.161E+02   0.738E-04 0.723E-01 -.516E-01   -.132E-03 0.994E-05 0.134E-03
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.281E-01 0.613E+00 0.294E+00   -.621E-04 -.691E-05 0.208E-03
   0.237E+02 -.137E+02 0.941E+02   -.243E+02 0.140E+02 -.962E+02   0.640E+00 -.370E+00 0.205E+01   -.264E-04 0.126E-04 0.237E-03
   0.164E+02 -.215E+02 0.257E+02   -.166E+02 0.217E+02 -.256E+02   0.228E+00 -.176E+00 -.334E-01   0.651E-04 -.562E-04 0.192E-03
   0.116E+01 -.123E+02 0.161E+02   -.116E+01 0.123E+02 -.161E+02   0.629E-02 -.221E-01 -.482E-01   -.849E-04 -.623E-04 0.141E-03
   -.416E+01 0.193E+01 0.116E+02   0.417E+01 -.194E+01 -.116E+02   0.169E-02 0.835E-02 -.438E-01   -.902E-04 0.419E-04 0.105E-03
   -.193E+02 0.111E+02 0.218E+02   0.193E+02 -.112E+02 -.217E+02   -.527E-01 0.304E-01 -.427E-01   -.531E-04 0.344E-04 0.205E-03
   -.373E+02 -.786E+01 0.478E+02   0.379E+02 0.814E+01 -.481E+02   -.545E+00 -.282E+00 0.294E+00   -.217E-04 0.565E-04 0.211E-03
   -.724E+01 -.303E+02 0.422E+02   0.743E+01 0.305E+02 -.422E+02   -.183E+00 -.203E+00 -.607E-01   -.226E-03 0.132E-03 0.236E-03
   -.279E+01 -.876E+01 0.194E+02   0.280E+01 0.877E+01 -.193E+02   -.204E-01 -.124E-01 -.273E-01   0.138E-03 0.178E-04 0.176E-03
   0.137E+01 -.789E+00 0.135E+02   -.136E+01 0.788E+00 -.134E+02   0.457E-02 -.264E-02 -.178E-01   -.841E-04 0.507E-04 0.138E-03
   -.375E+01 0.264E+01 0.116E+02   0.376E+01 -.264E+01 -.116E+02   -.639E-02 -.563E-02 -.438E-01   -.795E-04 0.620E-04 0.109E-03
   -.148E+02 -.167E+01 0.161E+02   0.148E+02 0.170E+01 -.161E+02   -.626E-01 -.362E-01 -.516E-01   -.729E-04 0.108E-03 0.141E-03
   -.152E+02 -.116E+02 0.240E+02   0.153E+02 0.116E+02 -.240E+02   -.878E-01 -.494E-01 -.483E-01   -.187E-03 -.174E-03 0.192E-03
   0.279E+01 0.876E+01 0.194E+02   -.280E+01 -.877E+01 -.193E+02   0.204E-01 0.124E-01 -.273E-01   -.138E-03 -.178E-04 0.176E-03
   0.152E+02 0.116E+02 0.240E+02   -.153E+02 -.116E+02 -.240E+02   0.878E-01 0.494E-01 -.483E-01   0.187E-03 0.174E-03 0.192E-03
   0.148E+02 0.167E+01 0.161E+02   -.148E+02 -.170E+01 -.161E+02   0.626E-01 0.362E-01 -.516E-01   0.729E-04 -.108E-03 0.141E-03
   0.375E+01 -.264E+01 0.116E+02   -.376E+01 0.264E+01 -.116E+02   0.639E-02 0.563E-02 -.438E-01   0.795E-04 -.620E-04 0.109E-03
   -.137E+01 0.789E+00 0.135E+02   0.136E+01 -.788E+00 -.134E+02   -.457E-02 0.264E-02 -.178E-01   0.841E-04 -.507E-04 0.138E-03
   -.116E+01 0.123E+02 0.161E+02   0.116E+01 -.123E+02 -.161E+02   -.629E-02 0.221E-01 -.482E-01   0.849E-04 0.623E-04 0.141E-03
   0.724E+01 0.303E+02 0.422E+02   -.743E+01 -.305E+02 -.422E+02   0.183E+00 0.203E+00 -.607E-01   0.226E-03 -.132E-03 0.236E-03
   0.373E+02 0.786E+01 0.478E+02   -.379E+02 -.814E+01 -.481E+02   0.545E+00 0.282E+00 0.294E+00   0.217E-04 -.565E-04 0.211E-03
   0.193E+02 -.111E+02 0.218E+02   -.193E+02 0.112E+02 -.217E+02   0.527E-01 -.304E-01 -.427E-01   0.531E-04 -.344E-04 0.205E-03
   0.416E+01 -.193E+01 0.116E+02   -.417E+01 0.194E+01 -.116E+02   -.169E-02 -.835E-02 -.438E-01   0.902E-04 -.419E-04 0.105E-03
   -.313E+01 0.364E+01 0.126E+02   0.314E+01 -.365E+01 -.125E+02   -.159E-01 0.959E-02 -.183E-01   0.368E-04 -.161E-04 0.763E-04
   -.164E+02 0.215E+02 0.257E+02   0.166E+02 -.217E+02 -.256E+02   -.228E+00 0.176E+00 -.334E-01   -.651E-04 0.561E-04 0.192E-03
   -.237E+02 0.137E+02 0.941E+02   0.243E+02 -.140E+02 -.962E+02   -.640E+00 0.370E+00 0.205E+01   0.264E-04 -.126E-04 0.237E-03
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.281E-01 -.613E+00 0.294E+00   0.621E-04 0.691E-05 0.208E-03
   0.594E+01 -.136E+02 0.161E+02   -.594E+01 0.137E+02 -.161E+02   -.738E-04 -.723E-01 -.516E-01   0.132E-03 -.994E-05 0.134E-03
   -.632E+00 -.394E+01 0.126E+02   0.626E+00 0.394E+01 -.126E+02   -.743E-03 0.255E-02 -.130E-01   0.988E-04 -.419E-04 0.119E-03
   -.916E+01 0.529E+01 0.136E+02   0.920E+01 -.531E+01 -.136E+02   -.427E-01 0.246E-01 -.119E-01   -.129E-04 0.138E-04 0.142E-03
   -.268E+02 0.345E+01 0.257E+02   0.271E+02 -.356E+01 -.256E+02   -.267E+00 0.110E+00 -.334E-01   -.756E-04 0.342E-04 0.196E-03
   -.226E+02 -.214E+02 0.422E+02   0.227E+02 0.217E+02 -.422E+02   -.838E-01 -.260E+00 -.607E-01   0.233E-03 -.131E-03 0.238E-03
   -.244E+01 -.189E+02 0.240E+02   0.244E+01 0.190E+02 -.240E+02   0.112E-02 -.101E+00 -.483E-01   -.522E-04 -.248E-03 0.190E-03
   0.209E+01 -.121E+01 0.163E+02   -.210E+01 0.121E+01 -.163E+02   0.263E-02 -.152E-02 -.239E-01   0.142E-03 -.790E-04 0.163E-03
   0.309E+01 0.252E+01 0.126E+02   -.310E+01 -.251E+01 -.126E+02   -.258E-02 -.632E-03 -.130E-01   0.883E-04 -.567E-04 0.123E-03
   -.472E+01 0.884E+00 0.126E+02   0.473E+01 -.892E+00 -.125E+02   -.163E-01 0.898E-02 -.183E-01   0.350E-04 -.198E-04 0.839E-04
   -.112E+02 -.512E+01 0.161E+02   0.112E+02 0.513E+01 -.161E+02   -.223E-01 -.560E-02 -.482E-01   -.893E-05 -.107E-03 0.146E-03
   -.619E+01 -.680E+01 0.194E+02   0.619E+01 0.681E+01 -.193E+02   -.500E-03 -.239E-01 -.273E-01   -.510E-04 0.128E-03 0.176E-03
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.293E-03 0.100E+02   0.413E-12 -.977E-13 0.636E-12   0.179E-15 -.409E-15 -.100E+02   -.946E-08 0.648E-08 0.469E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85236      6.05936     12.26230         0.000000      0.000000      0.025585
      1.07516      6.50808     13.52191         0.002729     -0.001576      0.007976
      2.62956      5.61065     13.52191        -0.002729      0.001576      0.007976
      0.00009     -0.00005      9.90957         0.002839     -0.001639      0.000388
     -1.23472      2.13688      9.90826        -0.002314      0.007203      0.000087
     -2.47003      4.27667      9.92827         0.003691     -0.004146     -0.000487
     -3.70366      6.41544      9.93603         0.001639     -0.001719     -0.001461
     -4.93741      8.55381      9.92652         0.005177     -0.004164     -0.000278
      2.46918      0.00005      9.92652         0.006195     -0.002401     -0.000278
      1.23402      2.13692      9.91782        -0.000782     -0.007918     -0.001051
     -0.00276      4.27109      9.93042         0.014477     -0.004646     -0.002464
     -1.23816      6.41608      9.95242        -0.004032      0.000217     -0.000762
     -2.46875      8.55415      9.93778        -0.001119      0.000646      0.000819
      4.93794      0.00077      9.93603         0.002308     -0.000560     -0.001461
      3.70426      2.13691      9.93927         0.003549      0.003349     -0.000857
      2.47000      4.26879      9.96703         0.003064      0.001297     -0.003370
      1.22924      6.41912      9.97319         0.002830     -0.001634     -0.000730
     -0.00183      8.55747      9.95242        -0.002203      0.003383     -0.000762
      7.40698      0.00180      9.92827         0.005436     -0.001123     -0.000487
      6.17268      2.13917      9.93458         0.004255     -0.002722     -0.000484
      4.93927      4.27714      9.94724        -0.003564      0.002058      0.000615
      3.71186      6.41976      9.96703         0.000409     -0.003303     -0.003370
      2.47349      8.56008      9.93042         0.011262     -0.010215     -0.002464
      9.87775      0.00189      9.90826        -0.007395     -0.001598      0.000087
      8.64194      2.13940      9.91943         0.006894     -0.003980      0.000392
      7.40751      4.27795      9.93458         0.004485     -0.002324     -0.000484
      6.17526      6.41680      9.93927        -0.001126     -0.004749     -0.000857
      4.94013      8.55608      9.91782         0.006467      0.004636     -0.001051
     -0.00107      1.42463      9.90826         0.007395      0.001598      0.000087
     -1.23541      3.56264      9.91782        -0.006467     -0.004636     -0.001051
     -2.47054      5.70193      9.93927         0.001126      0.004749     -0.000857
     -3.70279      7.84078      9.93458        -0.004485      0.002324     -0.000484
     -4.93723      9.97933      9.91943        -0.006894      0.003980      0.000392
      2.46970      1.42472      9.92827        -0.005436      0.001123     -0.000487
      1.23122      3.55865      9.93042        -0.011262      0.010215     -0.002464
     -0.00714      5.69897      9.96703        -0.000409      0.003303     -0.003370
     -1.23455      7.84159      9.94724         0.003564     -0.002058      0.000615
     -2.46797      9.97955      9.93458        -0.004255      0.002722     -0.000484
      4.93875      1.42575      9.93603        -0.002308      0.000560     -0.001461
      3.70654      3.56126      9.95242         0.002203     -0.003383     -0.000762
      2.47547      5.69961      9.97319        -0.002830      0.001634     -0.000730
      1.23472      7.84994      9.96703        -0.003064     -0.001297     -0.003370
      0.00045      9.98182      9.93927        -0.003549     -0.003349     -0.000857
      7.40750      1.42648      9.92652        -0.006195      0.002401     -0.000278
      6.17347      3.56457      9.93778         0.001119     -0.000646      0.000819
      4.94288      5.70265      9.95242         0.004032     -0.000217     -0.000762
      3.70747      7.84764      9.93042        -0.014477      0.004646     -0.002464
      2.47069      9.98181      9.91782         0.000782      0.007918     -0.001051
      9.87659      1.42658      9.90957        -0.002839      0.001639      0.000388
      8.64213      3.56492      9.92652        -0.005177      0.004164     -0.000278
      7.40838      5.70329      9.93603        -0.001639      0.001719     -0.001461
      6.17475      7.84205      9.92827        -0.003691      0.004146     -0.000487
      4.93943      9.98185      9.90826         0.002314     -0.007203      0.000087
 -----------------------------------------------------------------------------------
    total drift:                               -0.001807      0.000293      0.010874


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.95: CPU time    1.95
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.35
    ORTHCH:  VPU time  181.31: CPU time   91.08
     LOOP+:  VPU time 4737.84: CPU time 2438.12


----------------------------------------- Iteration   22(   1)  ---------------------------------------


    POTLOK:  VPU time    9.20: CPU time    9.02
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1805.13: CPU time  932.97
 BZINTS: Fermi energy: -3.209002;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.86: CPU time   57.36
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1928.75: CPU time  999.88

 eigenvalue-minimisations  :  6080
 total energy-change (2. order) :-0.4717264E+03  (-0.8760716E-03)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9581741 magnetization    0.0000001

 Broyden mixing:
  rms(total) = 0.27622E-02    rms(broyden)= 0.27614E-02
  rms(prec ) = 0.31000E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34105.72042616
  -1/2 Hartree   DENC   =    -40995.33062585
  -V(xc)+E(xc)   XCENC  =       726.57894039
  PAW double counting   =      4093.64424462    -4131.99090421
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2475.78836556
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72643084 eV

  energy without entropy =     -471.72643084  energy(sigma->0) =     -471.72643084


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   22(   2)  ---------------------------------------


    POTLOK:  VPU time    9.07: CPU time    9.07
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1534.65: CPU time  791.88
 BZINTS: Fermi energy: -3.207728;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1544.13: CPU time  801.33

 eigenvalue-minimisations  :  4816
 total energy-change (2. order) : 0.8037430E-05  (-0.1791174E-04)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9581741 magnetization    0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34105.72042616
  -1/2 Hartree   DENC   =    -40995.60690201
  -V(xc)+E(xc)   XCENC  =       726.58952231
  PAW double counting   =      4093.95438141    -4132.30263865
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2475.52106564
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72642281 eV

  energy without entropy =     -471.72642281  energy(sigma->0) =     -471.72642281


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2195       2 -39.5349       3 -39.5350       4 -58.3176       5 -58.3213
       6 -58.3237       7 -58.3183       8 -58.3187       9 -58.3187      10 -58.3253
      11 -58.3914      12 -58.3555      13 -58.3264      14 -58.3183      15 -58.3283
      16 -58.5459      17 -58.7333      18 -58.3555      19 -58.3237      20 -58.3237
      21 -58.3613      22 -58.5459      23 -58.3915      24 -58.3213      25 -58.3264
      26 -58.3237      27 -58.3283      28 -58.3253      29 -58.3212      30 -58.3252
      31 -58.3282      32 -58.3236      33 -58.3263      34 -58.3236      35 -58.3914
      36 -58.5458      37 -58.3612      38 -58.3236      39 -58.3182      40 -58.3554
      41 -58.7332      42 -58.5458      43 -58.3282      44 -58.3186      45 -58.3263
      46 -58.3554      47 -58.3914      48 -58.3252      49 -58.3175      50 -58.3186
      51 -58.3182      52 -58.3237      53 -58.3212
 
 
 
 E-fermi :  -3.2077     XC(G=0):  -2.3371     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4305      1.00000
      2     -21.6073      1.00000
      3     -21.4856      1.00000
      4     -21.4765      1.00000
      5     -21.4449      1.00000
      6     -21.4442      1.00000
      7     -21.4340      1.00000
      8     -19.7115      1.00000
      9     -19.6566      1.00000
     10     -19.6333      1.00000
     11     -19.6222      1.00000
     12     -19.6169      1.00000
     13     -19.6160      1.00000
     14     -18.7935      1.00000
     15     -18.7585      1.00000
     16     -18.7387      1.00000
     17     -18.7292      1.00000
     18     -18.7221      1.00000
     19     -18.7166      1.00000
     20     -16.6385      1.00000
     21     -16.6126      1.00000
     22     -16.5882      1.00000
     23     -16.5847      1.00000
     24     -16.5578      1.00000
     25     -16.5561      1.00000
     26     -15.6184      1.00000
     27     -15.6057      1.00000
     28     -15.6025      1.00000
     29     -15.5685      1.00000
     30     -15.5667      1.00000
     31     -15.5658      1.00000
     32     -14.2635      1.00000
     33     -14.2542      1.00000
     34     -14.2441      1.00000
     35     -14.2391      1.00000
     36     -14.2261      1.00000
     37     -14.2230      1.00000
     38     -11.9091      1.00000
     39     -11.8822      1.00000
     40     -11.8710      1.00000
     41     -11.8691      1.00000
     42     -11.8482      1.00000
     43     -11.8482      1.00000
     44     -11.7747      1.00000
     45     -11.7720      1.00000
     46     -11.7394      1.00000
     47     -11.7327      1.00000
     48     -11.7285      1.00000
     49     -11.7260      1.00000
     50     -10.6786      1.00000
     51     -10.3922      1.00000
     52     -10.3872      1.00000
     53     -10.3803      1.00000
     54     -10.3724      1.00000
     55     -10.3592      1.00000
     56     -10.3571      1.00000
     57      -9.9063      1.00000
     58      -9.4530      1.00000
     59      -9.4081      1.00000
     60      -9.3650      1.00000
     61      -9.3645      1.00000
     62      -9.3566      1.00000
     63      -9.1457      1.00000
     64      -9.1252      1.00000
     65      -9.1245      1.00000
     66      -9.0881      1.00000
     67      -9.0752      1.00000
     68      -9.0746      1.00000
     69      -9.0745      1.00000
     70      -9.0676      1.00000
     71      -9.0674      1.00000
     72      -9.0418      1.00000
     73      -9.0322      1.00000
     74      -9.0289      1.00000
     75      -8.1308      1.00000
     76      -7.7467      1.00000
     77      -7.4720      1.00000
     78      -7.4699      1.00000
     79      -7.4572      1.00000
     80      -7.4375      1.00000
     81      -7.4280      1.00000
     82      -7.4100      1.00000
     83      -7.3151      1.00000
     84      -7.2733      1.00000
     85      -7.2597      1.00000
     86      -7.2512      1.00000
     87      -7.1520      1.00000
     88      -7.0506      1.00000
     89      -6.4482      1.00000
     90      -6.4182      1.00000
     91      -6.4026      1.00000
     92      -6.3659      1.00000
     93      -6.3552      1.00000
     94      -6.3426      1.00000
     95      -5.9618      1.00000
     96      -5.9615      1.00000
     97      -4.8077      1.00000
     98      -4.5464      1.00000
     99      -4.4835      1.00000
    100      -4.4763      1.00000
    101      -4.3845      1.00000
    102      -4.3839      1.00000
    103      -4.2690      1.00000
    104      -4.1885      1.00000
    105      -3.7406      1.00000
    106      -3.4791      1.00000
    107      -1.8638      0.00000
    108      -1.6727      0.00000
    109      -1.6263      0.00000
    110      -1.5935      0.00000
    111      -1.5780      0.00000
    112      -1.5771      0.00000
    113      -0.4298      0.00000
    114       0.1438      0.00000
    115       0.1900      0.00000
    116       0.2535      0.00000
    117       0.2653      0.00000
    118       0.2692      0.00000
    119       0.4757      0.00000
    120       0.5531      0.00000
    121       1.2562      0.00000
    122       1.2910      0.00000
    123       1.5464      0.00000
    124       1.7763      0.00000
    125       1.7787      0.00000
    126       1.7798      0.00000
    127       1.7864      0.00000
    128       1.8302      0.00000
    129       1.9564      0.00000
    130       1.9695      0.00000
    131       1.9724      0.00000
    132       1.9870      0.00000
    133       1.9941      0.00000
    134       2.0838      0.00000
    135       2.2608      0.00000
    136       2.3438      0.00000
    137       2.6278      0.00000
    138       2.6288      0.00000
    139       2.6579      0.00000
    140       2.7282      0.00000
    141       2.9475      0.00000
    142       3.0384      0.00000
    143       3.0509      0.00000
    144       3.0809      0.00000
    145       3.0821      0.00000
    146       3.0851      0.00000
    147       3.1055      0.00000
    148       3.2870      0.00000
    149       3.4527      0.00000
    150       3.5201      0.00000
    151       3.8285      0.00000
    152       3.9655      0.00000
    153       3.9803      0.00000
    154       3.9826      0.00000
    155       3.9883      0.00000
    156       4.0044      0.00000
    157       4.1945      0.00000
    158       4.2653      0.00000
    159       4.2780      0.00000
    160       4.2868      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3939      1.00000
      2     -21.8347      1.00000
      3     -21.6424      1.00000
      4     -21.6146      1.00000
      5     -21.2788      1.00000
      6     -21.2394      1.00000
      7     -21.0610      1.00000
      8     -20.1717      1.00000
      9     -20.1335      1.00000
     10     -19.6126      1.00000
     11     -19.6016      1.00000
     12     -19.4211      1.00000
     13     -19.0936      1.00000
     14     -19.0638      1.00000
     15     -19.0528      1.00000
     16     -19.0454      1.00000
     17     -18.3645      1.00000
     18     -18.3561      1.00000
     19     -18.0228      1.00000
     20     -17.0728      1.00000
     21     -17.0340      1.00000
     22     -16.9475      1.00000
     23     -16.9437      1.00000
     24     -16.4715      1.00000
     25     -16.4668      1.00000
     26     -15.6180      1.00000
     27     -15.6112      1.00000
     28     -15.2563      1.00000
     29     -15.2473      1.00000
     30     -15.1885      1.00000
     31     -15.1016      1.00000
     32     -15.0748      1.00000
     33     -14.7022      1.00000
     34     -14.7003      1.00000
     35     -13.7301      1.00000
     36     -13.7276      1.00000
     37     -13.2393      1.00000
     38     -12.6176      1.00000
     39     -12.5875      1.00000
     40     -12.4580      1.00000
     41     -12.4544      1.00000
     42     -12.1127      1.00000
     43     -12.1082      1.00000
     44     -11.7211      1.00000
     45     -11.6901      1.00000
     46     -11.2386      1.00000
     47     -11.2294      1.00000
     48     -11.0213      1.00000
     49     -11.0134      1.00000
     50     -10.9304      1.00000
     51     -10.9090      1.00000
     52     -10.6336      1.00000
     53     -10.1586      1.00000
     54     -10.1545      1.00000
     55     -10.0951      1.00000
     56     -10.0011      1.00000
     57      -9.7063      1.00000
     58      -9.6985      1.00000
     59      -9.6588      1.00000
     60      -9.5947      1.00000
     61      -9.5803      1.00000
     62      -9.5618      1.00000
     63      -9.3106      1.00000
     64      -9.3068      1.00000
     65      -9.2768      1.00000
     66      -9.2402      1.00000
     67      -9.1393      1.00000
     68      -9.1186      1.00000
     69      -9.1149      1.00000
     70      -8.9423      1.00000
     71      -8.8758      1.00000
     72      -8.6078      1.00000
     73      -8.5942      1.00000
     74      -8.2380      1.00000
     75      -8.1038      1.00000
     76      -7.9153      1.00000
     77      -7.8673      1.00000
     78      -7.7751      1.00000
     79      -7.7603      1.00000
     80      -7.6936      1.00000
     81      -7.5619      1.00000
     82      -7.3422      1.00000
     83      -7.3262      1.00000
     84      -7.2066      1.00000
     85      -7.1253      1.00000
     86      -7.0340      1.00000
     87      -7.0158      1.00000
     88      -6.7068      1.00000
     89      -6.6802      1.00000
     90      -6.6434      1.00000
     91      -6.5996      1.00000
     92      -6.1192      1.00000
     93      -6.0649      1.00000
     94      -6.0342      1.00000
     95      -6.0136      1.00000
     96      -5.7856      1.00000
     97      -4.9762      1.00000
     98      -4.8343      1.00000
     99      -4.7492      1.00000
    100      -4.6816      1.00000
    101      -4.4699      1.00000
    102      -4.2046      1.00000
    103      -4.1739      1.00000
    104      -4.1299      1.00000
    105      -3.7310      1.00000
    106      -3.4893      1.00000
    107      -1.8724      0.00000
    108      -1.8110      0.00000
    109      -1.5263      0.00000
    110      -1.3797      0.00000
    111      -1.3235      0.00000
    112      -1.2902      0.00000
    113      -0.7218      0.00000
    114      -0.3777      0.00000
    115      -0.2520      0.00000
    116       0.0358      0.00000
    117       0.5595      0.00000
    118       0.6976      0.00000
    119       0.7448      0.00000
    120       1.0473      0.00000
    121       1.0979      0.00000
    122       1.1516      0.00000
    123       1.2271      0.00000
    124       1.3835      0.00000
    125       1.5283      0.00000
    126       1.5940      0.00000
    127       1.7186      0.00000
    128       1.8076      0.00000
    129       1.8554      0.00000
    130       1.8809      0.00000
    131       2.0982      0.00000
    132       2.1961      0.00000
    133       2.2449      0.00000
    134       2.3169      0.00000
    135       2.5231      0.00000
    136       2.6031      0.00000
    137       2.6291      0.00000
    138       2.7845      0.00000
    139       2.7997      0.00000
    140       2.8258      0.00000
    141       2.8470      0.00000
    142       2.9063      0.00000
    143       2.9392      0.00000
    144       3.0969      0.00000
    145       3.1657      0.00000
    146       3.3262      0.00000
    147       3.3704      0.00000
    148       3.4162      0.00000
    149       3.4784      0.00000
    150       3.6212      0.00000
    151       3.6471      0.00000
    152       3.6762      0.00000
    153       3.7224      0.00000
    154       3.9258      0.00000
    155       3.9660      0.00000
    156       4.0246      0.00000
    157       4.0711      0.00000
    158       4.2531      0.00000
    159       4.2631      0.00000
    160       4.2833      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2878      1.00000
      2     -22.0822      1.00000
      3     -21.7209      1.00000
      4     -21.6890      1.00000
      5     -20.9836      1.00000
      6     -20.9430      1.00000
      7     -20.6159      1.00000
      8     -20.5793      1.00000
      9     -20.5730      1.00000
     10     -20.0367      1.00000
     11     -19.5074      1.00000
     12     -19.4956      1.00000
     13     -19.3108      1.00000
     14     -19.3057      1.00000
     15     -18.4515      1.00000
     16     -18.4148      1.00000
     17     -17.9260      1.00000
     18     -17.9168      1.00000
     19     -17.7654      1.00000
     20     -17.7296      1.00000
     21     -17.4395      1.00000
     22     -17.4323      1.00000
     23     -17.3445      1.00000
     24     -16.4665      1.00000
     25     -16.4653      1.00000
     26     -15.9709      1.00000
     27     -15.4181      1.00000
     28     -15.4127      1.00000
     29     -15.1003      1.00000
     30     -15.0970      1.00000
     31     -14.8585      1.00000
     32     -14.8510      1.00000
     33     -14.2938      1.00000
     34     -14.2611      1.00000
     35     -13.4401      1.00000
     36     -13.4077      1.00000
     37     -13.1810      1.00000
     38     -13.1778      1.00000
     39     -12.9858      1.00000
     40     -12.9809      1.00000
     41     -12.6165      1.00000
     42     -12.6135      1.00000
     43     -12.2012      1.00000
     44     -11.5803      1.00000
     45     -11.5466      1.00000
     46     -11.3144      1.00000
     47     -11.2916      1.00000
     48     -11.1454      1.00000
     49     -10.6798      1.00000
     50     -10.6638      1.00000
     51     -10.5557      1.00000
     52     -10.3270      1.00000
     53     -10.3214      1.00000
     54     -10.1721      1.00000
     55     -10.1188      1.00000
     56     -10.1161      1.00000
     57      -9.8010      1.00000
     58      -9.7684      1.00000
     59      -9.7554      1.00000
     60      -9.7036      1.00000
     61      -9.7005      1.00000
     62      -9.6647      1.00000
     63      -9.3579      1.00000
     64      -9.3551      1.00000
     65      -9.3191      1.00000
     66      -9.0435      1.00000
     67      -8.9656      1.00000
     68      -8.9529      1.00000
     69      -8.8020      1.00000
     70      -8.5982      1.00000
     71      -8.5602      1.00000
     72      -8.4008      1.00000
     73      -8.3675      1.00000
     74      -8.3279      1.00000
     75      -8.3104      1.00000
     76      -8.2623      1.00000
     77      -8.2606      1.00000
     78      -8.2399      1.00000
     79      -7.9066      1.00000
     80      -7.6522      1.00000
     81      -7.5505      1.00000
     82      -7.3898      1.00000
     83      -7.3528      1.00000
     84      -7.2342      1.00000
     85      -7.0985      1.00000
     86      -7.0410      1.00000
     87      -6.9361      1.00000
     88      -6.8498      1.00000
     89      -6.6160      1.00000
     90      -6.5621      1.00000
     91      -6.2731      1.00000
     92      -6.0459      1.00000
     93      -5.9539      1.00000
     94      -5.6650      1.00000
     95      -5.6249      1.00000
     96      -5.4653      1.00000
     97      -5.3222      1.00000
     98      -5.2811      1.00000
     99      -5.2161      1.00000
    100      -5.1961      1.00000
    101      -4.5091      1.00000
    102      -4.2087      1.00000
    103      -4.0610      1.00000
    104      -3.9913      1.00000
    105      -3.6959      1.00000
    106      -3.4995      1.00000
    107      -1.9484      0.00000
    108      -1.8985      0.00000
    109      -1.3408      0.00000
    110      -1.0869      0.00000
    111      -1.0603      0.00000
    112      -0.8023      0.00000
    113      -0.6797      0.00000
    114      -0.6489      0.00000
    115      -0.6094      0.00000
    116      -0.1093      0.00000
    117       0.2133      0.00000
    118       0.3276      0.00000
    119       0.6985      0.00000
    120       0.8911      0.00000
    121       1.1269      0.00000
    122       1.1976      0.00000
    123       1.3309      0.00000
    124       1.4265      0.00000
    125       1.5547      0.00000
    126       1.5756      0.00000
    127       1.6899      0.00000
    128       1.8128      0.00000
    129       1.8884      0.00000
    130       2.0619      0.00000
    131       2.1157      0.00000
    132       2.3154      0.00000
    133       2.3540      0.00000
    134       2.4068      0.00000
    135       2.5588      0.00000
    136       2.6360      0.00000
    137       2.7369      0.00000
    138       2.7442      0.00000
    139       2.8143      0.00000
    140       2.8920      0.00000
    141       3.0555      0.00000
    142       3.0675      0.00000
    143       3.1759      0.00000
    144       3.2725      0.00000
    145       3.3667      0.00000
    146       3.4227      0.00000
    147       3.4438      0.00000
    148       3.5709      0.00000
    149       3.5902      0.00000
    150       3.6138      0.00000
    151       3.6626      0.00000
    152       3.6819      0.00000
    153       3.7811      0.00000
    154       3.7958      0.00000
    155       3.8098      0.00000
    156       3.8956      0.00000
    157       3.9328      0.00000
    158       3.9990      0.00000
    159       4.2253      0.00000
    160       4.2303      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3218      1.00000
      2     -21.9671      1.00000
      3     -21.8979      1.00000
      4     -21.3851      1.00000
      5     -21.3559      1.00000
      6     -20.8438      1.00000
      7     -20.7785      1.00000
      8     -20.6282      1.00000
      9     -20.0817      1.00000
     10     -20.0760      1.00000
     11     -19.7208      1.00000
     12     -19.6963      1.00000
     13     -19.0005      1.00000
     14     -18.9945      1.00000
     15     -18.6446      1.00000
     16     -18.6287      1.00000
     17     -18.4660      1.00000
     18     -17.6791      1.00000
     19     -17.6286      1.00000
     20     -17.6258      1.00000
     21     -17.5840      1.00000
     22     -17.1303      1.00000
     23     -17.1088      1.00000
     24     -16.9657      1.00000
     25     -16.0053      1.00000
     26     -15.9335      1.00000
     27     -15.5896      1.00000
     28     -15.5892      1.00000
     29     -15.2906      1.00000
     30     -14.8678      1.00000
     31     -14.8406      1.00000
     32     -14.5826      1.00000
     33     -14.5407      1.00000
     34     -14.1725      1.00000
     35     -14.1589      1.00000
     36     -13.1515      1.00000
     37     -13.1044      1.00000
     38     -13.0333      1.00000
     39     -13.0231      1.00000
     40     -12.7126      1.00000
     41     -12.7084      1.00000
     42     -12.3454      1.00000
     43     -12.3142      1.00000
     44     -11.6396      1.00000
     45     -11.6260      1.00000
     46     -11.5759      1.00000
     47     -10.9533      1.00000
     48     -10.9202      1.00000
     49     -10.6356      1.00000
     50     -10.6280      1.00000
     51     -10.5504      1.00000
     52     -10.5034      1.00000
     53     -10.5030      1.00000
     54     -10.4431      1.00000
     55     -10.3639      1.00000
     56     -10.1021      1.00000
     57      -9.9063      1.00000
     58      -9.6120      1.00000
     59      -9.5598      1.00000
     60      -9.4554      1.00000
     61      -9.4158      1.00000
     62      -9.4086      1.00000
     63      -9.3806      1.00000
     64      -9.3805      1.00000
     65      -9.2900      1.00000
     66      -9.1722      1.00000
     67      -9.1467      1.00000
     68      -9.1184      1.00000
     69      -8.8683      1.00000
     70      -8.8609      1.00000
     71      -8.8177      1.00000
     72      -8.5995      1.00000
     73      -8.4825      1.00000
     74      -8.2023      1.00000
     75      -8.1669      1.00000
     76      -8.0107      1.00000
     77      -7.9656      1.00000
     78      -7.8539      1.00000
     79      -7.8439      1.00000
     80      -7.7075      1.00000
     81      -7.7003      1.00000
     82      -7.6240      1.00000
     83      -7.4507      1.00000
     84      -7.3023      1.00000
     85      -7.2544      1.00000
     86      -6.9098      1.00000
     87      -6.8961      1.00000
     88      -6.5909      1.00000
     89      -6.5534      1.00000
     90      -6.4095      1.00000
     91      -6.2558      1.00000
     92      -6.2349      1.00000
     93      -6.2088      1.00000
     94      -6.0253      1.00000
     95      -5.5522      1.00000
     96      -5.4912      1.00000
     97      -5.3525      1.00000
     98      -5.2219      1.00000
     99      -4.9816      1.00000
    100      -4.7344      1.00000
    101      -4.6802      1.00000
    102      -4.3884      1.00000
    103      -4.2040      1.00000
    104      -3.8724      1.00000
    105      -3.5484      1.00000
    106      -3.5115      1.00000
    107      -2.2585      0.00000
    108      -1.4583      0.00000
    109      -1.3733      0.00000
    110      -1.2440      0.00000
    111      -1.1000      0.00000
    112      -0.9471      0.00000
    113      -0.8658      0.00000
    114      -0.8054      0.00000
    115      -0.1404      0.00000
    116       0.1090      0.00000
    117       0.2386      0.00000
    118       0.3759      0.00000
    119       0.6564      0.00000
    120       0.8346      0.00000
    121       0.9348      0.00000
    122       1.0670      0.00000
    123       1.2386      0.00000
    124       1.4514      0.00000
    125       1.5646      0.00000
    126       1.7647      0.00000
    127       1.7924      0.00000
    128       1.8709      0.00000
    129       1.9824      0.00000
    130       2.0456      0.00000
    131       2.1872      0.00000
    132       2.1892      0.00000
    133       2.4217      0.00000
    134       2.4434      0.00000
    135       2.5159      0.00000
    136       2.6026      0.00000
    137       2.6342      0.00000
    138       2.7020      0.00000
    139       2.7903      0.00000
    140       2.8473      0.00000
    141       2.9624      0.00000
    142       3.0945      0.00000
    143       3.1980      0.00000
    144       3.2114      0.00000
    145       3.2489      0.00000
    146       3.3325      0.00000
    147       3.3464      0.00000
    148       3.4753      0.00000
    149       3.5124      0.00000
    150       3.6983      0.00000
    151       3.7191      0.00000
    152       3.7300      0.00000
    153       3.8637      0.00000
    154       3.9136      0.00000
    155       3.9595      0.00000
    156       3.9813      0.00000
    157       4.0077      0.00000
    158       4.0351      0.00000
    159       4.0597      0.00000
    160       4.0749      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2148      1.00000
      2     -22.1218      1.00000
      3     -21.9611      1.00000
      4     -21.4087      1.00000
      5     -21.0540      1.00000
      6     -21.0181      1.00000
      7     -20.5048      1.00000
      8     -20.4654      1.00000
      9     -20.2991      1.00000
     10     -20.2797      1.00000
     11     -19.9616      1.00000
     12     -19.8960      1.00000
     13     -18.8865      1.00000
     14     -18.8178      1.00000
     15     -18.3568      1.00000
     16     -18.3106      1.00000
     17     -18.1570      1.00000
     18     -18.1398      1.00000
     19     -17.8306      1.00000
     20     -17.7931      1.00000
     21     -17.2555      1.00000
     22     -17.2455      1.00000
     23     -17.1685      1.00000
     24     -17.1367      1.00000
     25     -16.1140      1.00000
     26     -15.8896      1.00000
     27     -15.8742      1.00000
     28     -15.8380      1.00000
     29     -15.2402      1.00000
     30     -14.5590      1.00000
     31     -14.5311      1.00000
     32     -14.2839      1.00000
     33     -13.9675      1.00000
     34     -13.9601      1.00000
     35     -13.8239      1.00000
     36     -13.8082      1.00000
     37     -13.6185      1.00000
     38     -13.5747      1.00000
     39     -13.3742      1.00000
     40     -12.6386      1.00000
     41     -12.1847      1.00000
     42     -12.1367      1.00000
     43     -12.0761      1.00000
     44     -12.0239      1.00000
     45     -11.6733      1.00000
     46     -11.6597      1.00000
     47     -11.1426      1.00000
     48     -11.1221      1.00000
     49     -10.7986      1.00000
     50     -10.7351      1.00000
     51     -10.5313      1.00000
     52     -10.2123      1.00000
     53     -10.2096      1.00000
     54     -10.1675      1.00000
     55     -10.0216      1.00000
     56     -10.0072      1.00000
     57      -9.9942      1.00000
     58      -9.8051      1.00000
     59      -9.8013      1.00000
     60      -9.7659      1.00000
     61      -9.7611      1.00000
     62      -9.4583      1.00000
     63      -9.4201      1.00000
     64      -9.0833      1.00000
     65      -9.0761      1.00000
     66      -9.0443      1.00000
     67      -8.9589      1.00000
     68      -8.8799      1.00000
     69      -8.7158      1.00000
     70      -8.7036      1.00000
     71      -8.5695      1.00000
     72      -8.5468      1.00000
     73      -8.5020      1.00000
     74      -8.4663      1.00000
     75      -8.4568      1.00000
     76      -8.2628      1.00000
     77      -8.1278      1.00000
     78      -8.0459      1.00000
     79      -7.9193      1.00000
     80      -7.8652      1.00000
     81      -7.6170      1.00000
     82      -7.5514      1.00000
     83      -7.4916      1.00000
     84      -7.2687      1.00000
     85      -6.9987      1.00000
     86      -6.9265      1.00000
     87      -6.8856      1.00000
     88      -6.5360      1.00000
     89      -6.4906      1.00000
     90      -6.4635      1.00000
     91      -6.4125      1.00000
     92      -5.9860      1.00000
     93      -5.8997      1.00000
     94      -5.7868      1.00000
     95      -5.7619      1.00000
     96      -5.4342      1.00000
     97      -5.3315      1.00000
     98      -5.2325      1.00000
     99      -5.2200      1.00000
    100      -5.1907      1.00000
    101      -4.6941      1.00000
    102      -4.4223      1.00000
    103      -4.2105      1.00000
    104      -3.8354      1.00000
    105      -3.5306      1.00000
    106      -3.2763      1.00000
    107      -2.5333      0.00000
    108      -1.4598      0.00000
    109      -1.2687      0.00000
    110      -1.2050      0.00000
    111      -1.1747      0.00000
    112      -0.7214      0.00000
    113      -0.5057      0.00000
    114      -0.4140      0.00000
    115      -0.3417      0.00000
    116      -0.1478      0.00000
    117      -0.0050      0.00000
    118       0.1926      0.00000
    119       0.5598      0.00000
    120       0.6107      0.00000
    121       0.8001      0.00000
    122       0.9113      0.00000
    123       1.1375      0.00000
    124       1.5019      0.00000
    125       1.6425      0.00000
    126       1.8681      0.00000
    127       1.9358      0.00000
    128       2.1129      0.00000
    129       2.1265      0.00000
    130       2.1337      0.00000
    131       2.1789      0.00000
    132       2.2782      0.00000
    133       2.3294      0.00000
    134       2.4633      0.00000
    135       2.5786      0.00000
    136       2.6637      0.00000
    137       2.8594      0.00000
    138       2.8712      0.00000
    139       2.8998      0.00000
    140       3.0346      0.00000
    141       3.0400      0.00000
    142       3.1482      0.00000
    143       3.1703      0.00000
    144       3.2405      0.00000
    145       3.2822      0.00000
    146       3.2881      0.00000
    147       3.3044      0.00000
    148       3.3510      0.00000
    149       3.4317      0.00000
    150       3.4518      0.00000
    151       3.5611      0.00000
    152       3.6276      0.00000
    153       3.6951      0.00000
    154       3.7244      0.00000
    155       3.7826      0.00000
    156       3.8996      0.00000
    157       3.9529      0.00000
    158       4.0154      0.00000
    159       4.1470      0.00000
    160       4.2373      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3216      1.00000
      2     -21.9686      1.00000
      3     -21.8965      1.00000
      4     -21.3888      1.00000
      5     -21.3524      1.00000
      6     -20.8436      1.00000
      7     -20.7772      1.00000
      8     -20.6291      1.00000
      9     -20.0936      1.00000
     10     -20.0649      1.00000
     11     -19.7225      1.00000
     12     -19.6937      1.00000
     13     -19.0138      1.00000
     14     -18.9827      1.00000
     15     -18.6537      1.00000
     16     -18.6209      1.00000
     17     -18.4646      1.00000
     18     -17.6642      1.00000
     19     -17.6506      1.00000
     20     -17.6144      1.00000
     21     -17.5819      1.00000
     22     -17.1410      1.00000
     23     -17.1011      1.00000
     24     -16.9694      1.00000
     25     -16.0117      1.00000
     26     -15.9270      1.00000
     27     -15.6028      1.00000
     28     -15.5793      1.00000
     29     -15.2834      1.00000
     30     -14.8805      1.00000
     31     -14.8335      1.00000
     32     -14.5784      1.00000
     33     -14.5406      1.00000
     34     -14.1675      1.00000
     35     -14.1634      1.00000
     36     -13.1657      1.00000
     37     -13.1000      1.00000
     38     -13.0269      1.00000
     39     -13.0221      1.00000
     40     -12.7216      1.00000
     41     -12.6983      1.00000
     42     -12.3446      1.00000
     43     -12.3174      1.00000
     44     -11.6350      1.00000
     45     -11.6258      1.00000
     46     -11.5739      1.00000
     47     -10.9444      1.00000
     48     -10.9266      1.00000
     49     -10.6722      1.00000
     50     -10.5933      1.00000
     51     -10.5761      1.00000
     52     -10.5043      1.00000
     53     -10.4927      1.00000
     54     -10.4425      1.00000
     55     -10.3600      1.00000
     56     -10.1064      1.00000
     57      -9.9005      1.00000
     58      -9.6124      1.00000
     59      -9.5552      1.00000
     60      -9.4571      1.00000
     61      -9.4214      1.00000
     62      -9.4131      1.00000
     63      -9.3831      1.00000
     64      -9.3759      1.00000
     65      -9.2702      1.00000
     66      -9.1684      1.00000
     67      -9.1445      1.00000
     68      -9.1191      1.00000
     69      -8.8695      1.00000
     70      -8.8635      1.00000
     71      -8.8049      1.00000
     72      -8.5990      1.00000
     73      -8.5290      1.00000
     74      -8.1965      1.00000
     75      -8.1738      1.00000
     76      -8.0777      1.00000
     77      -7.8609      1.00000
     78      -7.8401      1.00000
     79      -7.8268      1.00000
     80      -7.7136      1.00000
     81      -7.6994      1.00000
     82      -7.5993      1.00000
     83      -7.5313      1.00000
     84      -7.3525      1.00000
     85      -7.1689      1.00000
     86      -6.9085      1.00000
     87      -6.8992      1.00000
     88      -6.5948      1.00000
     89      -6.5535      1.00000
     90      -6.4095      1.00000
     91      -6.3045      1.00000
     92      -6.2498      1.00000
     93      -6.2042      1.00000
     94      -6.0062      1.00000
     95      -5.5340      1.00000
     96      -5.4675      1.00000
     97      -5.3163      1.00000
     98      -5.2118      1.00000
     99      -5.0491      1.00000
    100      -4.7255      1.00000
    101      -4.6737      1.00000
    102      -4.4247      1.00000
    103      -4.1958      1.00000
    104      -3.8442      1.00000
    105      -3.6362      1.00000
    106      -3.4180      1.00000
    107      -2.2946      0.00000
    108      -1.5112      0.00000
    109      -1.2721      0.00000
    110      -1.2645      0.00000
    111      -1.0363      0.00000
    112      -0.9799      0.00000
    113      -0.8702      0.00000
    114      -0.8020      0.00000
    115      -0.2627      0.00000
    116       0.2022      0.00000
    117       0.2375      0.00000
    118       0.3588      0.00000
    119       0.6948      0.00000
    120       0.8926      0.00000
    121       0.9226      0.00000
    122       1.0437      0.00000
    123       1.1712      0.00000
    124       1.5136      0.00000
    125       1.5726      0.00000
    126       1.7145      0.00000
    127       1.7780      0.00000
    128       1.8320      0.00000
    129       1.9605      0.00000
    130       1.9980      0.00000
    131       2.1789      0.00000
    132       2.2753      0.00000
    133       2.4254      0.00000
    134       2.4491      0.00000
    135       2.5136      0.00000
    136       2.6002      0.00000
    137       2.6170      0.00000
    138       2.7061      0.00000
    139       2.7687      0.00000
    140       2.8761      0.00000
    141       3.0441      0.00000
    142       3.0927      0.00000
    143       3.1920      0.00000
    144       3.2424      0.00000
    145       3.2494      0.00000
    146       3.3060      0.00000
    147       3.3710      0.00000
    148       3.4611      0.00000
    149       3.5318      0.00000
    150       3.6971      0.00000
    151       3.7173      0.00000
    152       3.7541      0.00000
    153       3.8350      0.00000
    154       3.8959      0.00000
    155       3.9444      0.00000
    156       3.9858      0.00000
    157       4.0094      0.00000
    158       4.0305      0.00000
    159       4.0494      0.00000
    160       4.0857      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3938      1.00000
      2     -21.8350      1.00000
      3     -21.6456      1.00000
      4     -21.6106      1.00000
      5     -21.2829      1.00000
      6     -21.2359      1.00000
      7     -21.0606      1.00000
      8     -20.1755      1.00000
      9     -20.1294      1.00000
     10     -19.6208      1.00000
     11     -19.5947      1.00000
     12     -19.4197      1.00000
     13     -19.0985      1.00000
     14     -19.0599      1.00000
     15     -19.0555      1.00000
     16     -19.0428      1.00000
     17     -18.3706      1.00000
     18     -18.3509      1.00000
     19     -18.0205      1.00000
     20     -17.0761      1.00000
     21     -17.0273      1.00000
     22     -16.9533      1.00000
     23     -16.9395      1.00000
     24     -16.4784      1.00000
     25     -16.4663      1.00000
     26     -15.6132      1.00000
     27     -15.6127      1.00000
     28     -15.2535      1.00000
     29     -15.2415      1.00000
     30     -15.1954      1.00000
     31     -15.1052      1.00000
     32     -15.0723      1.00000
     33     -14.7019      1.00000
     34     -14.7010      1.00000
     35     -13.7285      1.00000
     36     -13.7284      1.00000
     37     -13.2390      1.00000
     38     -12.6277      1.00000
     39     -12.5837      1.00000
     40     -12.4587      1.00000
     41     -12.4533      1.00000
     42     -12.1084      1.00000
     43     -12.1036      1.00000
     44     -11.7251      1.00000
     45     -11.6865      1.00000
     46     -11.2487      1.00000
     47     -11.2281      1.00000
     48     -11.0214      1.00000
     49     -11.0098      1.00000
     50     -10.9312      1.00000
     51     -10.9026      1.00000
     52     -10.6396      1.00000
     53     -10.1760      1.00000
     54     -10.1531      1.00000
     55     -10.0884      1.00000
     56      -9.9947      1.00000
     57      -9.6999      1.00000
     58      -9.6932      1.00000
     59      -9.6732      1.00000
     60      -9.5945      1.00000
     61      -9.5706      1.00000
     62      -9.5565      1.00000
     63      -9.3162      1.00000
     64      -9.3038      1.00000
     65      -9.2860      1.00000
     66      -9.2463      1.00000
     67      -9.1250      1.00000
     68      -9.1162      1.00000
     69      -9.1144      1.00000
     70      -8.9421      1.00000
     71      -8.8785      1.00000
     72      -8.6082      1.00000
     73      -8.5894      1.00000
     74      -8.2725      1.00000
     75      -8.1048      1.00000
     76      -7.8708      1.00000
     77      -7.8461      1.00000
     78      -7.7923      1.00000
     79      -7.7677      1.00000
     80      -7.7593      1.00000
     81      -7.4483      1.00000
     82      -7.3382      1.00000
     83      -7.3268      1.00000
     84      -7.2685      1.00000
     85      -7.1645      1.00000
     86      -7.0181      1.00000
     87      -6.9884      1.00000
     88      -6.7200      1.00000
     89      -6.6926      1.00000
     90      -6.6340      1.00000
     91      -6.5925      1.00000
     92      -6.1211      1.00000
     93      -6.0616      1.00000
     94      -6.0469      1.00000
     95      -6.0314      1.00000
     96      -5.7502      1.00000
     97      -4.9765      1.00000
     98      -4.8418      1.00000
     99      -4.7112      1.00000
    100      -4.6757      1.00000
    101      -4.4848      1.00000
    102      -4.3536      1.00000
    103      -4.1137      1.00000
    104      -4.0572      1.00000
    105      -3.7564      1.00000
    106      -3.4670      1.00000
    107      -1.9525      0.00000
    108      -1.7733      0.00000
    109      -1.4818      0.00000
    110      -1.3577      0.00000
    111      -1.3380      0.00000
    112      -1.2948      0.00000
    113      -0.6804      0.00000
    114      -0.4735      0.00000
    115      -0.2375      0.00000
    116       0.0504      0.00000
    117       0.5924      0.00000
    118       0.6904      0.00000
    119       0.7683      0.00000
    120       1.0218      0.00000
    121       1.0948      0.00000
    122       1.1774      0.00000
    123       1.2514      0.00000
    124       1.3385      0.00000
    125       1.4409      0.00000
    126       1.6099      0.00000
    127       1.7595      0.00000
    128       1.8439      0.00000
    129       1.8565      0.00000
    130       1.8895      0.00000
    131       2.0423      0.00000
    132       2.2222      0.00000
    133       2.2437      0.00000
    134       2.2991      0.00000
    135       2.4848      0.00000
    136       2.6221      0.00000
    137       2.6387      0.00000
    138       2.7677      0.00000
    139       2.8014      0.00000
    140       2.8349      0.00000
    141       2.8501      0.00000
    142       2.8573      0.00000
    143       2.9379      0.00000
    144       3.1022      0.00000
    145       3.3225      0.00000
    146       3.3556      0.00000
    147       3.3947      0.00000
    148       3.4132      0.00000
    149       3.4359      0.00000
    150       3.6083      0.00000
    151       3.6467      0.00000
    152       3.6899      0.00000
    153       3.7402      0.00000
    154       3.9037      0.00000
    155       3.9348      0.00000
    156       3.9593      0.00000
    157       4.1095      0.00000
    158       4.2132      0.00000
    159       4.2745      0.00000
    160       4.2901      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2139      1.00000
      2     -22.1232      1.00000
      3     -21.9608      1.00000
      4     -21.4087      1.00000
      5     -21.0502      1.00000
      6     -21.0219      1.00000
      7     -20.5000      1.00000
      8     -20.4701      1.00000
      9     -20.2903      1.00000
     10     -20.2883      1.00000
     11     -19.9606      1.00000
     12     -19.8975      1.00000
     13     -18.8872      1.00000
     14     -18.8196      1.00000
     15     -18.3415      1.00000
     16     -18.3226      1.00000
     17     -18.1528      1.00000
     18     -18.1454      1.00000
     19     -17.8195      1.00000
     20     -17.8016      1.00000
     21     -17.2617      1.00000
     22     -17.2421      1.00000
     23     -17.1638      1.00000
     24     -17.1390      1.00000
     25     -16.1205      1.00000
     26     -15.8842      1.00000
     27     -15.8732      1.00000
     28     -15.8440      1.00000
     29     -15.2344      1.00000
     30     -14.5544      1.00000
     31     -14.5360      1.00000
     32     -14.2791      1.00000
     33     -13.9786      1.00000
     34     -13.9550      1.00000
     35     -13.8284      1.00000
     36     -13.8060      1.00000
     37     -13.6075      1.00000
     38     -13.5823      1.00000
     39     -13.3744      1.00000
     40     -12.6428      1.00000
     41     -12.1722      1.00000
     42     -12.1459      1.00000
     43     -12.0717      1.00000
     44     -12.0249      1.00000
     45     -11.6686      1.00000
     46     -11.6639      1.00000
     47     -11.1400      1.00000
     48     -11.1290      1.00000
     49     -10.7937      1.00000
     50     -10.7376      1.00000
     51     -10.5380      1.00000
     52     -10.2122      1.00000
     53     -10.2060      1.00000
     54     -10.1731      1.00000
     55     -10.0263      1.00000
     56      -9.9971      1.00000
     57      -9.9939      1.00000
     58      -9.8087      1.00000
     59      -9.7998      1.00000
     60      -9.7681      1.00000
     61      -9.7601      1.00000
     62      -9.4577      1.00000
     63      -9.4199      1.00000
     64      -9.0882      1.00000
     65      -9.0496      1.00000
     66      -9.0282      1.00000
     67      -8.9729      1.00000
     68      -8.9004      1.00000
     69      -8.7119      1.00000
     70      -8.7026      1.00000
     71      -8.5633      1.00000
     72      -8.5525      1.00000
     73      -8.4803      1.00000
     74      -8.4631      1.00000
     75      -8.4600      1.00000
     76      -8.3106      1.00000
     77      -8.0975      1.00000
     78      -8.0916      1.00000
     79      -7.9299      1.00000
     80      -7.8341      1.00000
     81      -7.6033      1.00000
     82      -7.5401      1.00000
     83      -7.4446      1.00000
     84      -7.3146      1.00000
     85      -6.9974      1.00000
     86      -6.9227      1.00000
     87      -6.8858      1.00000
     88      -6.5310      1.00000
     89      -6.5173      1.00000
     90      -6.4838      1.00000
     91      -6.4229      1.00000
     92      -5.9293      1.00000
     93      -5.9073      1.00000
     94      -5.7910      1.00000
     95      -5.7772      1.00000
     96      -5.3714      1.00000
     97      -5.3653      1.00000
     98      -5.2226      1.00000
     99      -5.2176      1.00000
    100      -5.2011      1.00000
    101      -4.7223      1.00000
    102      -4.4430      1.00000
    103      -4.1920      1.00000
    104      -3.8217      1.00000
    105      -3.5671      1.00000
    106      -3.2235      1.00000
    107      -2.5647      0.00000
    108      -1.4650      0.00000
    109      -1.2693      0.00000
    110      -1.1874      0.00000
    111      -1.1858      0.00000
    112      -0.6465      0.00000
    113      -0.5536      0.00000
    114      -0.4168      0.00000
    115      -0.3495      0.00000
    116      -0.0794      0.00000
    117      -0.0655      0.00000
    118       0.1246      0.00000
    119       0.5910      0.00000
    120       0.6253      0.00000
    121       0.8595      0.00000
    122       0.9908      0.00000
    123       1.0070      0.00000
    124       1.4981      0.00000
    125       1.6917      0.00000
    126       1.7836      0.00000
    127       1.8722      0.00000
    128       2.1251      0.00000
    129       2.1292      0.00000
    130       2.1870      0.00000
    131       2.2086      0.00000
    132       2.2513      0.00000
    133       2.3448      0.00000
    134       2.4992      0.00000
    135       2.5010      0.00000
    136       2.6743      0.00000
    137       2.8507      0.00000
    138       2.8592      0.00000
    139       2.9609      0.00000
    140       3.0234      0.00000
    141       3.0550      0.00000
    142       3.1418      0.00000
    143       3.1815      0.00000
    144       3.2497      0.00000
    145       3.2644      0.00000
    146       3.2847      0.00000
    147       3.3074      0.00000
    148       3.3593      0.00000
    149       3.4266      0.00000
    150       3.5583      0.00000
    151       3.5724      0.00000
    152       3.6543      0.00000
    153       3.6670      0.00000
    154       3.6929      0.00000
    155       3.7218      0.00000
    156       3.9025      0.00000
    157       3.9725      0.00000
    158       4.0494      0.00000
    159       4.0912      0.00000
    160       4.1991      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2874      1.00000
      2     -22.0828      1.00000
      3     -21.7244      1.00000
      4     -21.6852      1.00000
      5     -20.9869      1.00000
      6     -20.9391      1.00000
      7     -20.6154      1.00000
      8     -20.5832      1.00000
      9     -20.5697      1.00000
     10     -20.0363      1.00000
     11     -19.5172      1.00000
     12     -19.4872      1.00000
     13     -19.3152      1.00000
     14     -19.3023      1.00000
     15     -18.4535      1.00000
     16     -18.4104      1.00000
     17     -17.9313      1.00000
     18     -17.9109      1.00000
     19     -17.7697      1.00000
     20     -17.7249      1.00000
     21     -17.4453      1.00000
     22     -17.4269      1.00000
     23     -17.3419      1.00000
     24     -16.4745      1.00000
     25     -16.4641      1.00000
     26     -15.9744      1.00000
     27     -15.4146      1.00000
     28     -15.4137      1.00000
     29     -15.0995      1.00000
     30     -15.0964      1.00000
     31     -14.8566      1.00000
     32     -14.8444      1.00000
     33     -14.3015      1.00000
     34     -14.2579      1.00000
     35     -13.4478      1.00000
     36     -13.4041      1.00000
     37     -13.1785      1.00000
     38     -13.1773      1.00000
     39     -12.9896      1.00000
     40     -12.9807      1.00000
     41     -12.6141      1.00000
     42     -12.6121      1.00000
     43     -12.2005      1.00000
     44     -11.5830      1.00000
     45     -11.5419      1.00000
     46     -11.3169      1.00000
     47     -11.2866      1.00000
     48     -11.1457      1.00000
     49     -10.6955      1.00000
     50     -10.6665      1.00000
     51     -10.5496      1.00000
     52     -10.3260      1.00000
     53     -10.3183      1.00000
     54     -10.1783      1.00000
     55     -10.1247      1.00000
     56     -10.1112      1.00000
     57      -9.8143      1.00000
     58      -9.7559      1.00000
     59      -9.7557      1.00000
     60      -9.7059      1.00000
     61      -9.7020      1.00000
     62      -9.6494      1.00000
     63      -9.3563      1.00000
     64      -9.3548      1.00000
     65      -9.3213      1.00000
     66      -9.0301      1.00000
     67      -8.9651      1.00000
     68      -8.9612      1.00000
     69      -8.7779      1.00000
     70      -8.5950      1.00000
     71      -8.5904      1.00000
     72      -8.4261      1.00000
     73      -8.3521      1.00000
     74      -8.3257      1.00000
     75      -8.3056      1.00000
     76      -8.2691      1.00000
     77      -8.2574      1.00000
     78      -8.2427      1.00000
     79      -7.9231      1.00000
     80      -7.7353      1.00000
     81      -7.3830      1.00000
     82      -7.3537      1.00000
     83      -7.3244      1.00000
     84      -7.2205      1.00000
     85      -7.1626      1.00000
     86      -7.0671      1.00000
     87      -6.9631      1.00000
     88      -6.9071      1.00000
     89      -6.6167      1.00000
     90      -6.5601      1.00000
     91      -6.2743      1.00000
     92      -5.9986      1.00000
     93      -5.9617      1.00000
     94      -5.6774      1.00000
     95      -5.6509      1.00000
     96      -5.3894      1.00000
     97      -5.3173      1.00000
     98      -5.2962      1.00000
     99      -5.2143      1.00000
    100      -5.2027      1.00000
    101      -4.5123      1.00000
    102      -4.3400      1.00000
    103      -3.9984      1.00000
    104      -3.8877      1.00000
    105      -3.7943      1.00000
    106      -3.4449      1.00000
    107      -2.0365      0.00000
    108      -1.8656      0.00000
    109      -1.2195      0.00000
    110      -1.1862      0.00000
    111      -1.0379      0.00000
    112      -0.7742      0.00000
    113      -0.6794      0.00000
    114      -0.6620      0.00000
    115      -0.6119      0.00000
    116      -0.1028      0.00000
    117       0.2203      0.00000
    118       0.2383      0.00000
    119       0.7746      0.00000
    120       0.9880      0.00000
    121       1.0737      0.00000
    122       1.2410      0.00000
    123       1.2509      0.00000
    124       1.3455      0.00000
    125       1.5801      0.00000
    126       1.5834      0.00000
    127       1.7152      0.00000
    128       1.8009      0.00000
    129       1.9544      0.00000
    130       1.9776      0.00000
    131       2.0700      0.00000
    132       2.2793      0.00000
    133       2.3409      0.00000
    134       2.4251      0.00000
    135       2.5526      0.00000
    136       2.6344      0.00000
    137       2.7524      0.00000
    138       2.8170      0.00000
    139       2.8503      0.00000
    140       2.8778      0.00000
    141       3.0572      0.00000
    142       3.1079      0.00000
    143       3.1644      0.00000
    144       3.2309      0.00000
    145       3.3766      0.00000
    146       3.4186      0.00000
    147       3.5164      0.00000
    148       3.5654      0.00000
    149       3.5915      0.00000
    150       3.6183      0.00000
    151       3.6594      0.00000
    152       3.7411      0.00000
    153       3.7526      0.00000
    154       3.7778      0.00000
    155       3.8029      0.00000
    156       3.8779      0.00000
    157       4.0249      0.00000
    158       4.0967      0.00000
    159       4.1799      0.00000
    160       4.2230      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4305      1.00000
      2     -21.6073      1.00000
      3     -21.4856      1.00000
      4     -21.4765      1.00000
      5     -21.4449      1.00000
      6     -21.4442      1.00000
      7     -21.4340      1.00000
      8     -19.7115      1.00000
      9     -19.6566      1.00000
     10     -19.6333      1.00000
     11     -19.6222      1.00000
     12     -19.6169      1.00000
     13     -19.6160      1.00000
     14     -18.7935      1.00000
     15     -18.7585      1.00000
     16     -18.7387      1.00000
     17     -18.7292      1.00000
     18     -18.7221      1.00000
     19     -18.7166      1.00000
     20     -16.6385      1.00000
     21     -16.6126      1.00000
     22     -16.5882      1.00000
     23     -16.5847      1.00000
     24     -16.5578      1.00000
     25     -16.5561      1.00000
     26     -15.6184      1.00000
     27     -15.6057      1.00000
     28     -15.6025      1.00000
     29     -15.5685      1.00000
     30     -15.5667      1.00000
     31     -15.5658      1.00000
     32     -14.2635      1.00000
     33     -14.2542      1.00000
     34     -14.2441      1.00000
     35     -14.2391      1.00000
     36     -14.2261      1.00000
     37     -14.2230      1.00000
     38     -11.9091      1.00000
     39     -11.8822      1.00000
     40     -11.8710      1.00000
     41     -11.8691      1.00000
     42     -11.8482      1.00000
     43     -11.8482      1.00000
     44     -11.7747      1.00000
     45     -11.7720      1.00000
     46     -11.7394      1.00000
     47     -11.7327      1.00000
     48     -11.7285      1.00000
     49     -11.7260      1.00000
     50     -10.6786      1.00000
     51     -10.3922      1.00000
     52     -10.3872      1.00000
     53     -10.3803      1.00000
     54     -10.3724      1.00000
     55     -10.3592      1.00000
     56     -10.3571      1.00000
     57      -9.9063      1.00000
     58      -9.4530      1.00000
     59      -9.4081      1.00000
     60      -9.3650      1.00000
     61      -9.3645      1.00000
     62      -9.3566      1.00000
     63      -9.1457      1.00000
     64      -9.1252      1.00000
     65      -9.1245      1.00000
     66      -9.0881      1.00000
     67      -9.0752      1.00000
     68      -9.0746      1.00000
     69      -9.0745      1.00000
     70      -9.0676      1.00000
     71      -9.0674      1.00000
     72      -9.0418      1.00000
     73      -9.0322      1.00000
     74      -9.0289      1.00000
     75      -8.1308      1.00000
     76      -7.7467      1.00000
     77      -7.4720      1.00000
     78      -7.4699      1.00000
     79      -7.4572      1.00000
     80      -7.4375      1.00000
     81      -7.4280      1.00000
     82      -7.4100      1.00000
     83      -7.3151      1.00000
     84      -7.2733      1.00000
     85      -7.2597      1.00000
     86      -7.2512      1.00000
     87      -7.1520      1.00000
     88      -7.0506      1.00000
     89      -6.4482      1.00000
     90      -6.4182      1.00000
     91      -6.4026      1.00000
     92      -6.3659      1.00000
     93      -6.3552      1.00000
     94      -6.3426      1.00000
     95      -5.9618      1.00000
     96      -5.9615      1.00000
     97      -4.8077      1.00000
     98      -4.5464      1.00000
     99      -4.4835      1.00000
    100      -4.4763      1.00000
    101      -4.3845      1.00000
    102      -4.3839      1.00000
    103      -4.2690      1.00000
    104      -4.1885      1.00000
    105      -3.7406      1.00000
    106      -3.4791      1.00000
    107      -1.8638      0.00000
    108      -1.6727      0.00000
    109      -1.6263      0.00000
    110      -1.5935      0.00000
    111      -1.5780      0.00000
    112      -1.5771      0.00000
    113      -0.4298      0.00000
    114       0.1438      0.00000
    115       0.1900      0.00000
    116       0.2535      0.00000
    117       0.2653      0.00000
    118       0.2692      0.00000
    119       0.4757      0.00000
    120       0.5531      0.00000
    121       1.2562      0.00000
    122       1.2910      0.00000
    123       1.5464      0.00000
    124       1.7763      0.00000
    125       1.7787      0.00000
    126       1.7798      0.00000
    127       1.7863      0.00000
    128       1.8302      0.00000
    129       1.9564      0.00000
    130       1.9695      0.00000
    131       1.9724      0.00000
    132       1.9870      0.00000
    133       1.9941      0.00000
    134       2.0837      0.00000
    135       2.2607      0.00000
    136       2.3437      0.00000
    137       2.6277      0.00000
    138       2.6287      0.00000
    139       2.6579      0.00000
    140       2.7281      0.00000
    141       2.9475      0.00000
    142       3.0383      0.00000
    143       3.0508      0.00000
    144       3.0808      0.00000
    145       3.0821      0.00000
    146       3.0851      0.00000
    147       3.1055      0.00000
    148       3.2870      0.00000
    149       3.4526      0.00000
    150       3.5201      0.00000
    151       3.8284      0.00000
    152       3.9655      0.00000
    153       3.9803      0.00000
    154       3.9825      0.00000
    155       3.9883      0.00000
    156       4.0044      0.00000
    157       4.1944      0.00000
    158       4.2653      0.00000
    159       4.2779      0.00000
    160       4.2868      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3939      1.00000
      2     -21.8347      1.00000
      3     -21.6424      1.00000
      4     -21.6146      1.00000
      5     -21.2788      1.00000
      6     -21.2394      1.00000
      7     -21.0610      1.00000
      8     -20.1717      1.00000
      9     -20.1335      1.00000
     10     -19.6126      1.00000
     11     -19.6016      1.00000
     12     -19.4211      1.00000
     13     -19.0936      1.00000
     14     -19.0638      1.00000
     15     -19.0528      1.00000
     16     -19.0454      1.00000
     17     -18.3645      1.00000
     18     -18.3561      1.00000
     19     -18.0228      1.00000
     20     -17.0728      1.00000
     21     -17.0340      1.00000
     22     -16.9475      1.00000
     23     -16.9437      1.00000
     24     -16.4715      1.00000
     25     -16.4668      1.00000
     26     -15.6180      1.00000
     27     -15.6112      1.00000
     28     -15.2563      1.00000
     29     -15.2473      1.00000
     30     -15.1885      1.00000
     31     -15.1016      1.00000
     32     -15.0748      1.00000
     33     -14.7022      1.00000
     34     -14.7003      1.00000
     35     -13.7301      1.00000
     36     -13.7276      1.00000
     37     -13.2393      1.00000
     38     -12.6176      1.00000
     39     -12.5875      1.00000
     40     -12.4580      1.00000
     41     -12.4544      1.00000
     42     -12.1127      1.00000
     43     -12.1082      1.00000
     44     -11.7211      1.00000
     45     -11.6901      1.00000
     46     -11.2386      1.00000
     47     -11.2294      1.00000
     48     -11.0213      1.00000
     49     -11.0134      1.00000
     50     -10.9304      1.00000
     51     -10.9090      1.00000
     52     -10.6336      1.00000
     53     -10.1586      1.00000
     54     -10.1545      1.00000
     55     -10.0951      1.00000
     56     -10.0011      1.00000
     57      -9.7063      1.00000
     58      -9.6985      1.00000
     59      -9.6588      1.00000
     60      -9.5947      1.00000
     61      -9.5803      1.00000
     62      -9.5618      1.00000
     63      -9.3106      1.00000
     64      -9.3068      1.00000
     65      -9.2768      1.00000
     66      -9.2402      1.00000
     67      -9.1393      1.00000
     68      -9.1186      1.00000
     69      -9.1149      1.00000
     70      -8.9423      1.00000
     71      -8.8758      1.00000
     72      -8.6078      1.00000
     73      -8.5942      1.00000
     74      -8.2380      1.00000
     75      -8.1038      1.00000
     76      -7.9153      1.00000
     77      -7.8673      1.00000
     78      -7.7751      1.00000
     79      -7.7603      1.00000
     80      -7.6936      1.00000
     81      -7.5619      1.00000
     82      -7.3422      1.00000
     83      -7.3262      1.00000
     84      -7.2066      1.00000
     85      -7.1253      1.00000
     86      -7.0340      1.00000
     87      -7.0158      1.00000
     88      -6.7068      1.00000
     89      -6.6802      1.00000
     90      -6.6434      1.00000
     91      -6.5996      1.00000
     92      -6.1192      1.00000
     93      -6.0649      1.00000
     94      -6.0342      1.00000
     95      -6.0136      1.00000
     96      -5.7856      1.00000
     97      -4.9762      1.00000
     98      -4.8343      1.00000
     99      -4.7492      1.00000
    100      -4.6816      1.00000
    101      -4.4699      1.00000
    102      -4.2046      1.00000
    103      -4.1739      1.00000
    104      -4.1299      1.00000
    105      -3.7310      1.00000
    106      -3.4893      1.00000
    107      -1.8724      0.00000
    108      -1.8110      0.00000
    109      -1.5263      0.00000
    110      -1.3797      0.00000
    111      -1.3235      0.00000
    112      -1.2902      0.00000
    113      -0.7218      0.00000
    114      -0.3777      0.00000
    115      -0.2520      0.00000
    116       0.0358      0.00000
    117       0.5595      0.00000
    118       0.6976      0.00000
    119       0.7448      0.00000
    120       1.0473      0.00000
    121       1.0979      0.00000
    122       1.1516      0.00000
    123       1.2271      0.00000
    124       1.3835      0.00000
    125       1.5283      0.00000
    126       1.5940      0.00000
    127       1.7185      0.00000
    128       1.8076      0.00000
    129       1.8554      0.00000
    130       1.8809      0.00000
    131       2.0982      0.00000
    132       2.1960      0.00000
    133       2.2449      0.00000
    134       2.3169      0.00000
    135       2.5231      0.00000
    136       2.6031      0.00000
    137       2.6290      0.00000
    138       2.7844      0.00000
    139       2.7996      0.00000
    140       2.8258      0.00000
    141       2.8469      0.00000
    142       2.9062      0.00000
    143       2.9391      0.00000
    144       3.0969      0.00000
    145       3.1657      0.00000
    146       3.3261      0.00000
    147       3.3703      0.00000
    148       3.4162      0.00000
    149       3.4783      0.00000
    150       3.6211      0.00000
    151       3.6471      0.00000
    152       3.6762      0.00000
    153       3.7224      0.00000
    154       3.9257      0.00000
    155       3.9659      0.00000
    156       4.0246      0.00000
    157       4.0711      0.00000
    158       4.2531      0.00000
    159       4.2630      0.00000
    160       4.2832      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2878      1.00000
      2     -22.0822      1.00000
      3     -21.7209      1.00000
      4     -21.6890      1.00000
      5     -20.9836      1.00000
      6     -20.9430      1.00000
      7     -20.6159      1.00000
      8     -20.5793      1.00000
      9     -20.5730      1.00000
     10     -20.0367      1.00000
     11     -19.5074      1.00000
     12     -19.4956      1.00000
     13     -19.3108      1.00000
     14     -19.3057      1.00000
     15     -18.4515      1.00000
     16     -18.4148      1.00000
     17     -17.9260      1.00000
     18     -17.9168      1.00000
     19     -17.7654      1.00000
     20     -17.7296      1.00000
     21     -17.4395      1.00000
     22     -17.4323      1.00000
     23     -17.3445      1.00000
     24     -16.4665      1.00000
     25     -16.4653      1.00000
     26     -15.9709      1.00000
     27     -15.4181      1.00000
     28     -15.4127      1.00000
     29     -15.1003      1.00000
     30     -15.0970      1.00000
     31     -14.8585      1.00000
     32     -14.8510      1.00000
     33     -14.2938      1.00000
     34     -14.2611      1.00000
     35     -13.4401      1.00000
     36     -13.4077      1.00000
     37     -13.1810      1.00000
     38     -13.1778      1.00000
     39     -12.9858      1.00000
     40     -12.9809      1.00000
     41     -12.6165      1.00000
     42     -12.6135      1.00000
     43     -12.2012      1.00000
     44     -11.5803      1.00000
     45     -11.5466      1.00000
     46     -11.3144      1.00000
     47     -11.2916      1.00000
     48     -11.1454      1.00000
     49     -10.6798      1.00000
     50     -10.6638      1.00000
     51     -10.5557      1.00000
     52     -10.3270      1.00000
     53     -10.3214      1.00000
     54     -10.1721      1.00000
     55     -10.1188      1.00000
     56     -10.1161      1.00000
     57      -9.8010      1.00000
     58      -9.7684      1.00000
     59      -9.7554      1.00000
     60      -9.7036      1.00000
     61      -9.7005      1.00000
     62      -9.6647      1.00000
     63      -9.3579      1.00000
     64      -9.3551      1.00000
     65      -9.3191      1.00000
     66      -9.0435      1.00000
     67      -8.9656      1.00000
     68      -8.9529      1.00000
     69      -8.8020      1.00000
     70      -8.5982      1.00000
     71      -8.5602      1.00000
     72      -8.4008      1.00000
     73      -8.3675      1.00000
     74      -8.3279      1.00000
     75      -8.3104      1.00000
     76      -8.2623      1.00000
     77      -8.2606      1.00000
     78      -8.2399      1.00000
     79      -7.9066      1.00000
     80      -7.6522      1.00000
     81      -7.5505      1.00000
     82      -7.3898      1.00000
     83      -7.3528      1.00000
     84      -7.2342      1.00000
     85      -7.0985      1.00000
     86      -7.0410      1.00000
     87      -6.9361      1.00000
     88      -6.8498      1.00000
     89      -6.6160      1.00000
     90      -6.5621      1.00000
     91      -6.2731      1.00000
     92      -6.0459      1.00000
     93      -5.9539      1.00000
     94      -5.6650      1.00000
     95      -5.6249      1.00000
     96      -5.4653      1.00000
     97      -5.3222      1.00000
     98      -5.2811      1.00000
     99      -5.2161      1.00000
    100      -5.1961      1.00000
    101      -4.5091      1.00000
    102      -4.2087      1.00000
    103      -4.0610      1.00000
    104      -3.9913      1.00000
    105      -3.6959      1.00000
    106      -3.4995      1.00000
    107      -1.9484      0.00000
    108      -1.8985      0.00000
    109      -1.3408      0.00000
    110      -1.0869      0.00000
    111      -1.0603      0.00000
    112      -0.8023      0.00000
    113      -0.6797      0.00000
    114      -0.6489      0.00000
    115      -0.6094      0.00000
    116      -0.1093      0.00000
    117       0.2133      0.00000
    118       0.3277      0.00000
    119       0.6985      0.00000
    120       0.8911      0.00000
    121       1.1269      0.00000
    122       1.1976      0.00000
    123       1.3309      0.00000
    124       1.4265      0.00000
    125       1.5547      0.00000
    126       1.5756      0.00000
    127       1.6899      0.00000
    128       1.8128      0.00000
    129       1.8884      0.00000
    130       2.0619      0.00000
    131       2.1156      0.00000
    132       2.3154      0.00000
    133       2.3540      0.00000
    134       2.4068      0.00000
    135       2.5588      0.00000
    136       2.6360      0.00000
    137       2.7369      0.00000
    138       2.7441      0.00000
    139       2.8142      0.00000
    140       2.8919      0.00000
    141       3.0555      0.00000
    142       3.0674      0.00000
    143       3.1759      0.00000
    144       3.2725      0.00000
    145       3.3666      0.00000
    146       3.4226      0.00000
    147       3.4438      0.00000
    148       3.5709      0.00000
    149       3.5902      0.00000
    150       3.6137      0.00000
    151       3.6626      0.00000
    152       3.6819      0.00000
    153       3.7811      0.00000
    154       3.7957      0.00000
    155       3.8098      0.00000
    156       3.8956      0.00000
    157       3.9328      0.00000
    158       3.9989      0.00000
    159       4.2253      0.00000
    160       4.2303      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3218      1.00000
      2     -21.9671      1.00000
      3     -21.8979      1.00000
      4     -21.3851      1.00000
      5     -21.3559      1.00000
      6     -20.8438      1.00000
      7     -20.7785      1.00000
      8     -20.6282      1.00000
      9     -20.0817      1.00000
     10     -20.0760      1.00000
     11     -19.7208      1.00000
     12     -19.6963      1.00000
     13     -19.0005      1.00000
     14     -18.9945      1.00000
     15     -18.6446      1.00000
     16     -18.6287      1.00000
     17     -18.4660      1.00000
     18     -17.6791      1.00000
     19     -17.6286      1.00000
     20     -17.6258      1.00000
     21     -17.5840      1.00000
     22     -17.1303      1.00000
     23     -17.1088      1.00000
     24     -16.9657      1.00000
     25     -16.0053      1.00000
     26     -15.9335      1.00000
     27     -15.5896      1.00000
     28     -15.5892      1.00000
     29     -15.2906      1.00000
     30     -14.8678      1.00000
     31     -14.8406      1.00000
     32     -14.5826      1.00000
     33     -14.5407      1.00000
     34     -14.1725      1.00000
     35     -14.1589      1.00000
     36     -13.1515      1.00000
     37     -13.1044      1.00000
     38     -13.0333      1.00000
     39     -13.0231      1.00000
     40     -12.7126      1.00000
     41     -12.7084      1.00000
     42     -12.3454      1.00000
     43     -12.3142      1.00000
     44     -11.6396      1.00000
     45     -11.6260      1.00000
     46     -11.5759      1.00000
     47     -10.9533      1.00000
     48     -10.9202      1.00000
     49     -10.6356      1.00000
     50     -10.6280      1.00000
     51     -10.5504      1.00000
     52     -10.5034      1.00000
     53     -10.5030      1.00000
     54     -10.4431      1.00000
     55     -10.3639      1.00000
     56     -10.1021      1.00000
     57      -9.9063      1.00000
     58      -9.6120      1.00000
     59      -9.5598      1.00000
     60      -9.4554      1.00000
     61      -9.4158      1.00000
     62      -9.4086      1.00000
     63      -9.3806      1.00000
     64      -9.3805      1.00000
     65      -9.2900      1.00000
     66      -9.1722      1.00000
     67      -9.1467      1.00000
     68      -9.1184      1.00000
     69      -8.8683      1.00000
     70      -8.8609      1.00000
     71      -8.8177      1.00000
     72      -8.5995      1.00000
     73      -8.4825      1.00000
     74      -8.2023      1.00000
     75      -8.1669      1.00000
     76      -8.0107      1.00000
     77      -7.9656      1.00000
     78      -7.8539      1.00000
     79      -7.8439      1.00000
     80      -7.7075      1.00000
     81      -7.7003      1.00000
     82      -7.6240      1.00000
     83      -7.4507      1.00000
     84      -7.3023      1.00000
     85      -7.2544      1.00000
     86      -6.9098      1.00000
     87      -6.8961      1.00000
     88      -6.5909      1.00000
     89      -6.5534      1.00000
     90      -6.4095      1.00000
     91      -6.2558      1.00000
     92      -6.2349      1.00000
     93      -6.2088      1.00000
     94      -6.0253      1.00000
     95      -5.5522      1.00000
     96      -5.4912      1.00000
     97      -5.3525      1.00000
     98      -5.2219      1.00000
     99      -4.9816      1.00000
    100      -4.7344      1.00000
    101      -4.6802      1.00000
    102      -4.3884      1.00000
    103      -4.2040      1.00000
    104      -3.8724      1.00000
    105      -3.5484      1.00000
    106      -3.5115      1.00000
    107      -2.2585      0.00000
    108      -1.4583      0.00000
    109      -1.3733      0.00000
    110      -1.2440      0.00000
    111      -1.1000      0.00000
    112      -0.9471      0.00000
    113      -0.8658      0.00000
    114      -0.8054      0.00000
    115      -0.1404      0.00000
    116       0.1090      0.00000
    117       0.2386      0.00000
    118       0.3759      0.00000
    119       0.6564      0.00000
    120       0.8346      0.00000
    121       0.9348      0.00000
    122       1.0670      0.00000
    123       1.2385      0.00000
    124       1.4514      0.00000
    125       1.5646      0.00000
    126       1.7647      0.00000
    127       1.7924      0.00000
    128       1.8709      0.00000
    129       1.9824      0.00000
    130       2.0456      0.00000
    131       2.1872      0.00000
    132       2.1891      0.00000
    133       2.4217      0.00000
    134       2.4433      0.00000
    135       2.5159      0.00000
    136       2.6026      0.00000
    137       2.6342      0.00000
    138       2.7020      0.00000
    139       2.7903      0.00000
    140       2.8472      0.00000
    141       2.9624      0.00000
    142       3.0944      0.00000
    143       3.1979      0.00000
    144       3.2113      0.00000
    145       3.2488      0.00000
    146       3.3324      0.00000
    147       3.3463      0.00000
    148       3.4752      0.00000
    149       3.5123      0.00000
    150       3.6983      0.00000
    151       3.7191      0.00000
    152       3.7299      0.00000
    153       3.8637      0.00000
    154       3.9135      0.00000
    155       3.9595      0.00000
    156       3.9813      0.00000
    157       4.0077      0.00000
    158       4.0350      0.00000
    159       4.0596      0.00000
    160       4.0748      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2148      1.00000
      2     -22.1218      1.00000
      3     -21.9611      1.00000
      4     -21.4087      1.00000
      5     -21.0540      1.00000
      6     -21.0181      1.00000
      7     -20.5048      1.00000
      8     -20.4654      1.00000
      9     -20.2991      1.00000
     10     -20.2797      1.00000
     11     -19.9616      1.00000
     12     -19.8960      1.00000
     13     -18.8865      1.00000
     14     -18.8178      1.00000
     15     -18.3568      1.00000
     16     -18.3106      1.00000
     17     -18.1570      1.00000
     18     -18.1398      1.00000
     19     -17.8306      1.00000
     20     -17.7931      1.00000
     21     -17.2555      1.00000
     22     -17.2455      1.00000
     23     -17.1685      1.00000
     24     -17.1367      1.00000
     25     -16.1140      1.00000
     26     -15.8896      1.00000
     27     -15.8742      1.00000
     28     -15.8380      1.00000
     29     -15.2402      1.00000
     30     -14.5590      1.00000
     31     -14.5311      1.00000
     32     -14.2839      1.00000
     33     -13.9675      1.00000
     34     -13.9601      1.00000
     35     -13.8239      1.00000
     36     -13.8082      1.00000
     37     -13.6185      1.00000
     38     -13.5747      1.00000
     39     -13.3742      1.00000
     40     -12.6386      1.00000
     41     -12.1847      1.00000
     42     -12.1367      1.00000
     43     -12.0761      1.00000
     44     -12.0239      1.00000
     45     -11.6733      1.00000
     46     -11.6597      1.00000
     47     -11.1426      1.00000
     48     -11.1221      1.00000
     49     -10.7986      1.00000
     50     -10.7351      1.00000
     51     -10.5313      1.00000
     52     -10.2123      1.00000
     53     -10.2096      1.00000
     54     -10.1675      1.00000
     55     -10.0216      1.00000
     56     -10.0072      1.00000
     57      -9.9942      1.00000
     58      -9.8051      1.00000
     59      -9.8013      1.00000
     60      -9.7659      1.00000
     61      -9.7611      1.00000
     62      -9.4583      1.00000
     63      -9.4201      1.00000
     64      -9.0833      1.00000
     65      -9.0761      1.00000
     66      -9.0443      1.00000
     67      -8.9589      1.00000
     68      -8.8799      1.00000
     69      -8.7158      1.00000
     70      -8.7036      1.00000
     71      -8.5695      1.00000
     72      -8.5468      1.00000
     73      -8.5020      1.00000
     74      -8.4663      1.00000
     75      -8.4568      1.00000
     76      -8.2628      1.00000
     77      -8.1278      1.00000
     78      -8.0459      1.00000
     79      -7.9193      1.00000
     80      -7.8652      1.00000
     81      -7.6170      1.00000
     82      -7.5514      1.00000
     83      -7.4916      1.00000
     84      -7.2687      1.00000
     85      -6.9987      1.00000
     86      -6.9265      1.00000
     87      -6.8856      1.00000
     88      -6.5360      1.00000
     89      -6.4906      1.00000
     90      -6.4635      1.00000
     91      -6.4125      1.00000
     92      -5.9860      1.00000
     93      -5.8997      1.00000
     94      -5.7868      1.00000
     95      -5.7619      1.00000
     96      -5.4342      1.00000
     97      -5.3315      1.00000
     98      -5.2325      1.00000
     99      -5.2200      1.00000
    100      -5.1907      1.00000
    101      -4.6941      1.00000
    102      -4.4223      1.00000
    103      -4.2105      1.00000
    104      -3.8354      1.00000
    105      -3.5306      1.00000
    106      -3.2763      1.00000
    107      -2.5333      0.00000
    108      -1.4598      0.00000
    109      -1.2687      0.00000
    110      -1.2050      0.00000
    111      -1.1747      0.00000
    112      -0.7214      0.00000
    113      -0.5057      0.00000
    114      -0.4140      0.00000
    115      -0.3417      0.00000
    116      -0.1478      0.00000
    117      -0.0050      0.00000
    118       0.1926      0.00000
    119       0.5598      0.00000
    120       0.6107      0.00000
    121       0.8001      0.00000
    122       0.9113      0.00000
    123       1.1375      0.00000
    124       1.5019      0.00000
    125       1.6425      0.00000
    126       1.8680      0.00000
    127       1.9358      0.00000
    128       2.1129      0.00000
    129       2.1264      0.00000
    130       2.1336      0.00000
    131       2.1788      0.00000
    132       2.2782      0.00000
    133       2.3294      0.00000
    134       2.4633      0.00000
    135       2.5786      0.00000
    136       2.6637      0.00000
    137       2.8594      0.00000
    138       2.8712      0.00000
    139       2.8998      0.00000
    140       3.0346      0.00000
    141       3.0399      0.00000
    142       3.1482      0.00000
    143       3.1702      0.00000
    144       3.2405      0.00000
    145       3.2822      0.00000
    146       3.2881      0.00000
    147       3.3044      0.00000
    148       3.3510      0.00000
    149       3.4316      0.00000
    150       3.4518      0.00000
    151       3.5611      0.00000
    152       3.6276      0.00000
    153       3.6951      0.00000
    154       3.7243      0.00000
    155       3.7826      0.00000
    156       3.8996      0.00000
    157       3.9528      0.00000
    158       4.0154      0.00000
    159       4.1470      0.00000
    160       4.2373      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3216      1.00000
      2     -21.9686      1.00000
      3     -21.8965      1.00000
      4     -21.3888      1.00000
      5     -21.3524      1.00000
      6     -20.8436      1.00000
      7     -20.7772      1.00000
      8     -20.6291      1.00000
      9     -20.0936      1.00000
     10     -20.0649      1.00000
     11     -19.7225      1.00000
     12     -19.6937      1.00000
     13     -19.0138      1.00000
     14     -18.9827      1.00000
     15     -18.6537      1.00000
     16     -18.6209      1.00000
     17     -18.4646      1.00000
     18     -17.6642      1.00000
     19     -17.6506      1.00000
     20     -17.6144      1.00000
     21     -17.5819      1.00000
     22     -17.1410      1.00000
     23     -17.1011      1.00000
     24     -16.9694      1.00000
     25     -16.0117      1.00000
     26     -15.9270      1.00000
     27     -15.6028      1.00000
     28     -15.5793      1.00000
     29     -15.2834      1.00000
     30     -14.8805      1.00000
     31     -14.8335      1.00000
     32     -14.5784      1.00000
     33     -14.5406      1.00000
     34     -14.1675      1.00000
     35     -14.1634      1.00000
     36     -13.1657      1.00000
     37     -13.1000      1.00000
     38     -13.0269      1.00000
     39     -13.0221      1.00000
     40     -12.7216      1.00000
     41     -12.6983      1.00000
     42     -12.3446      1.00000
     43     -12.3174      1.00000
     44     -11.6350      1.00000
     45     -11.6258      1.00000
     46     -11.5739      1.00000
     47     -10.9444      1.00000
     48     -10.9266      1.00000
     49     -10.6723      1.00000
     50     -10.5933      1.00000
     51     -10.5761      1.00000
     52     -10.5043      1.00000
     53     -10.4927      1.00000
     54     -10.4425      1.00000
     55     -10.3600      1.00000
     56     -10.1064      1.00000
     57      -9.9005      1.00000
     58      -9.6124      1.00000
     59      -9.5552      1.00000
     60      -9.4571      1.00000
     61      -9.4214      1.00000
     62      -9.4131      1.00000
     63      -9.3831      1.00000
     64      -9.3759      1.00000
     65      -9.2702      1.00000
     66      -9.1684      1.00000
     67      -9.1445      1.00000
     68      -9.1191      1.00000
     69      -8.8695      1.00000
     70      -8.8635      1.00000
     71      -8.8049      1.00000
     72      -8.5990      1.00000
     73      -8.5290      1.00000
     74      -8.1965      1.00000
     75      -8.1738      1.00000
     76      -8.0777      1.00000
     77      -7.8609      1.00000
     78      -7.8401      1.00000
     79      -7.8268      1.00000
     80      -7.7136      1.00000
     81      -7.6994      1.00000
     82      -7.5993      1.00000
     83      -7.5313      1.00000
     84      -7.3525      1.00000
     85      -7.1689      1.00000
     86      -6.9085      1.00000
     87      -6.8992      1.00000
     88      -6.5948      1.00000
     89      -6.5535      1.00000
     90      -6.4095      1.00000
     91      -6.3045      1.00000
     92      -6.2498      1.00000
     93      -6.2042      1.00000
     94      -6.0062      1.00000
     95      -5.5340      1.00000
     96      -5.4675      1.00000
     97      -5.3163      1.00000
     98      -5.2118      1.00000
     99      -5.0491      1.00000
    100      -4.7255      1.00000
    101      -4.6737      1.00000
    102      -4.4247      1.00000
    103      -4.1958      1.00000
    104      -3.8442      1.00000
    105      -3.6362      1.00000
    106      -3.4180      1.00000
    107      -2.2946      0.00000
    108      -1.5112      0.00000
    109      -1.2721      0.00000
    110      -1.2645      0.00000
    111      -1.0363      0.00000
    112      -0.9799      0.00000
    113      -0.8702      0.00000
    114      -0.8020      0.00000
    115      -0.2627      0.00000
    116       0.2022      0.00000
    117       0.2375      0.00000
    118       0.3588      0.00000
    119       0.6948      0.00000
    120       0.8926      0.00000
    121       0.9226      0.00000
    122       1.0437      0.00000
    123       1.1712      0.00000
    124       1.5136      0.00000
    125       1.5725      0.00000
    126       1.7145      0.00000
    127       1.7780      0.00000
    128       1.8319      0.00000
    129       1.9605      0.00000
    130       1.9980      0.00000
    131       2.1789      0.00000
    132       2.2753      0.00000
    133       2.4254      0.00000
    134       2.4490      0.00000
    135       2.5135      0.00000
    136       2.6002      0.00000
    137       2.6170      0.00000
    138       2.7061      0.00000
    139       2.7686      0.00000
    140       2.8761      0.00000
    141       3.0441      0.00000
    142       3.0927      0.00000
    143       3.1920      0.00000
    144       3.2423      0.00000
    145       3.2493      0.00000
    146       3.3060      0.00000
    147       3.3710      0.00000
    148       3.4610      0.00000
    149       3.5318      0.00000
    150       3.6971      0.00000
    151       3.7173      0.00000
    152       3.7541      0.00000
    153       3.8349      0.00000
    154       3.8959      0.00000
    155       3.9444      0.00000
    156       3.9857      0.00000
    157       4.0094      0.00000
    158       4.0304      0.00000
    159       4.0494      0.00000
    160       4.0856      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3938      1.00000
      2     -21.8350      1.00000
      3     -21.6456      1.00000
      4     -21.6106      1.00000
      5     -21.2829      1.00000
      6     -21.2359      1.00000
      7     -21.0606      1.00000
      8     -20.1755      1.00000
      9     -20.1294      1.00000
     10     -19.6208      1.00000
     11     -19.5947      1.00000
     12     -19.4197      1.00000
     13     -19.0985      1.00000
     14     -19.0599      1.00000
     15     -19.0555      1.00000
     16     -19.0428      1.00000
     17     -18.3706      1.00000
     18     -18.3509      1.00000
     19     -18.0205      1.00000
     20     -17.0761      1.00000
     21     -17.0273      1.00000
     22     -16.9533      1.00000
     23     -16.9395      1.00000
     24     -16.4784      1.00000
     25     -16.4663      1.00000
     26     -15.6132      1.00000
     27     -15.6127      1.00000
     28     -15.2535      1.00000
     29     -15.2415      1.00000
     30     -15.1954      1.00000
     31     -15.1052      1.00000
     32     -15.0723      1.00000
     33     -14.7019      1.00000
     34     -14.7010      1.00000
     35     -13.7285      1.00000
     36     -13.7284      1.00000
     37     -13.2390      1.00000
     38     -12.6277      1.00000
     39     -12.5837      1.00000
     40     -12.4587      1.00000
     41     -12.4533      1.00000
     42     -12.1084      1.00000
     43     -12.1036      1.00000
     44     -11.7251      1.00000
     45     -11.6865      1.00000
     46     -11.2487      1.00000
     47     -11.2281      1.00000
     48     -11.0214      1.00000
     49     -11.0098      1.00000
     50     -10.9312      1.00000
     51     -10.9026      1.00000
     52     -10.6396      1.00000
     53     -10.1760      1.00000
     54     -10.1531      1.00000
     55     -10.0884      1.00000
     56      -9.9947      1.00000
     57      -9.6999      1.00000
     58      -9.6932      1.00000
     59      -9.6732      1.00000
     60      -9.5945      1.00000
     61      -9.5706      1.00000
     62      -9.5565      1.00000
     63      -9.3162      1.00000
     64      -9.3038      1.00000
     65      -9.2860      1.00000
     66      -9.2463      1.00000
     67      -9.1250      1.00000
     68      -9.1162      1.00000
     69      -9.1144      1.00000
     70      -8.9421      1.00000
     71      -8.8785      1.00000
     72      -8.6082      1.00000
     73      -8.5894      1.00000
     74      -8.2725      1.00000
     75      -8.1048      1.00000
     76      -7.8708      1.00000
     77      -7.8461      1.00000
     78      -7.7923      1.00000
     79      -7.7677      1.00000
     80      -7.7593      1.00000
     81      -7.4483      1.00000
     82      -7.3382      1.00000
     83      -7.3268      1.00000
     84      -7.2685      1.00000
     85      -7.1645      1.00000
     86      -7.0181      1.00000
     87      -6.9884      1.00000
     88      -6.7200      1.00000
     89      -6.6926      1.00000
     90      -6.6340      1.00000
     91      -6.5925      1.00000
     92      -6.1211      1.00000
     93      -6.0616      1.00000
     94      -6.0469      1.00000
     95      -6.0314      1.00000
     96      -5.7502      1.00000
     97      -4.9765      1.00000
     98      -4.8418      1.00000
     99      -4.7112      1.00000
    100      -4.6757      1.00000
    101      -4.4848      1.00000
    102      -4.3536      1.00000
    103      -4.1137      1.00000
    104      -4.0572      1.00000
    105      -3.7564      1.00000
    106      -3.4670      1.00000
    107      -1.9525      0.00000
    108      -1.7733      0.00000
    109      -1.4818      0.00000
    110      -1.3577      0.00000
    111      -1.3380      0.00000
    112      -1.2948      0.00000
    113      -0.6804      0.00000
    114      -0.4735      0.00000
    115      -0.2375      0.00000
    116       0.0504      0.00000
    117       0.5924      0.00000
    118       0.6904      0.00000
    119       0.7683      0.00000
    120       1.0218      0.00000
    121       1.0948      0.00000
    122       1.1774      0.00000
    123       1.2514      0.00000
    124       1.3385      0.00000
    125       1.4409      0.00000
    126       1.6099      0.00000
    127       1.7594      0.00000
    128       1.8439      0.00000
    129       1.8565      0.00000
    130       1.8894      0.00000
    131       2.0423      0.00000
    132       2.2222      0.00000
    133       2.2437      0.00000
    134       2.2991      0.00000
    135       2.4848      0.00000
    136       2.6220      0.00000
    137       2.6387      0.00000
    138       2.7677      0.00000
    139       2.8013      0.00000
    140       2.8349      0.00000
    141       2.8501      0.00000
    142       2.8572      0.00000
    143       2.9379      0.00000
    144       3.1022      0.00000
    145       3.3225      0.00000
    146       3.3555      0.00000
    147       3.3947      0.00000
    148       3.4132      0.00000
    149       3.4358      0.00000
    150       3.6082      0.00000
    151       3.6466      0.00000
    152       3.6898      0.00000
    153       3.7402      0.00000
    154       3.9037      0.00000
    155       3.9348      0.00000
    156       3.9593      0.00000
    157       4.1094      0.00000
    158       4.2131      0.00000
    159       4.2745      0.00000
    160       4.2900      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2139      1.00000
      2     -22.1232      1.00000
      3     -21.9608      1.00000
      4     -21.4087      1.00000
      5     -21.0502      1.00000
      6     -21.0219      1.00000
      7     -20.5000      1.00000
      8     -20.4701      1.00000
      9     -20.2903      1.00000
     10     -20.2883      1.00000
     11     -19.9606      1.00000
     12     -19.8975      1.00000
     13     -18.8872      1.00000
     14     -18.8196      1.00000
     15     -18.3415      1.00000
     16     -18.3226      1.00000
     17     -18.1528      1.00000
     18     -18.1454      1.00000
     19     -17.8195      1.00000
     20     -17.8016      1.00000
     21     -17.2617      1.00000
     22     -17.2421      1.00000
     23     -17.1638      1.00000
     24     -17.1390      1.00000
     25     -16.1205      1.00000
     26     -15.8842      1.00000
     27     -15.8732      1.00000
     28     -15.8440      1.00000
     29     -15.2344      1.00000
     30     -14.5544      1.00000
     31     -14.5360      1.00000
     32     -14.2791      1.00000
     33     -13.9786      1.00000
     34     -13.9550      1.00000
     35     -13.8284      1.00000
     36     -13.8060      1.00000
     37     -13.6075      1.00000
     38     -13.5823      1.00000
     39     -13.3744      1.00000
     40     -12.6428      1.00000
     41     -12.1722      1.00000
     42     -12.1459      1.00000
     43     -12.0717      1.00000
     44     -12.0249      1.00000
     45     -11.6686      1.00000
     46     -11.6639      1.00000
     47     -11.1400      1.00000
     48     -11.1290      1.00000
     49     -10.7937      1.00000
     50     -10.7376      1.00000
     51     -10.5380      1.00000
     52     -10.2122      1.00000
     53     -10.2060      1.00000
     54     -10.1731      1.00000
     55     -10.0263      1.00000
     56      -9.9971      1.00000
     57      -9.9939      1.00000
     58      -9.8087      1.00000
     59      -9.7998      1.00000
     60      -9.7681      1.00000
     61      -9.7601      1.00000
     62      -9.4577      1.00000
     63      -9.4199      1.00000
     64      -9.0882      1.00000
     65      -9.0496      1.00000
     66      -9.0282      1.00000
     67      -8.9729      1.00000
     68      -8.9004      1.00000
     69      -8.7119      1.00000
     70      -8.7026      1.00000
     71      -8.5633      1.00000
     72      -8.5525      1.00000
     73      -8.4803      1.00000
     74      -8.4631      1.00000
     75      -8.4600      1.00000
     76      -8.3106      1.00000
     77      -8.0975      1.00000
     78      -8.0916      1.00000
     79      -7.9299      1.00000
     80      -7.8341      1.00000
     81      -7.6033      1.00000
     82      -7.5401      1.00000
     83      -7.4446      1.00000
     84      -7.3146      1.00000
     85      -6.9974      1.00000
     86      -6.9227      1.00000
     87      -6.8858      1.00000
     88      -6.5310      1.00000
     89      -6.5173      1.00000
     90      -6.4838      1.00000
     91      -6.4229      1.00000
     92      -5.9293      1.00000
     93      -5.9073      1.00000
     94      -5.7910      1.00000
     95      -5.7772      1.00000
     96      -5.3714      1.00000
     97      -5.3653      1.00000
     98      -5.2226      1.00000
     99      -5.2176      1.00000
    100      -5.2011      1.00000
    101      -4.7223      1.00000
    102      -4.4430      1.00000
    103      -4.1920      1.00000
    104      -3.8217      1.00000
    105      -3.5671      1.00000
    106      -3.2235      1.00000
    107      -2.5647      0.00000
    108      -1.4650      0.00000
    109      -1.2693      0.00000
    110      -1.1874      0.00000
    111      -1.1858      0.00000
    112      -0.6465      0.00000
    113      -0.5536      0.00000
    114      -0.4168      0.00000
    115      -0.3495      0.00000
    116      -0.0794      0.00000
    117      -0.0655      0.00000
    118       0.1246      0.00000
    119       0.5910      0.00000
    120       0.6253      0.00000
    121       0.8595      0.00000
    122       0.9907      0.00000
    123       1.0070      0.00000
    124       1.4981      0.00000
    125       1.6916      0.00000
    126       1.7835      0.00000
    127       1.8722      0.00000
    128       2.1250      0.00000
    129       2.1291      0.00000
    130       2.1869      0.00000
    131       2.2086      0.00000
    132       2.2513      0.00000
    133       2.3448      0.00000
    134       2.4992      0.00000
    135       2.5009      0.00000
    136       2.6743      0.00000
    137       2.8507      0.00000
    138       2.8592      0.00000
    139       2.9609      0.00000
    140       3.0233      0.00000
    141       3.0549      0.00000
    142       3.1418      0.00000
    143       3.1815      0.00000
    144       3.2497      0.00000
    145       3.2644      0.00000
    146       3.2847      0.00000
    147       3.3074      0.00000
    148       3.3593      0.00000
    149       3.4265      0.00000
    150       3.5583      0.00000
    151       3.5724      0.00000
    152       3.6542      0.00000
    153       3.6670      0.00000
    154       3.6929      0.00000
    155       3.7218      0.00000
    156       3.9025      0.00000
    157       3.9724      0.00000
    158       4.0493      0.00000
    159       4.0912      0.00000
    160       4.1991      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2874      1.00000
      2     -22.0828      1.00000
      3     -21.7244      1.00000
      4     -21.6852      1.00000
      5     -20.9869      1.00000
      6     -20.9391      1.00000
      7     -20.6154      1.00000
      8     -20.5832      1.00000
      9     -20.5697      1.00000
     10     -20.0363      1.00000
     11     -19.5172      1.00000
     12     -19.4872      1.00000
     13     -19.3152      1.00000
     14     -19.3023      1.00000
     15     -18.4535      1.00000
     16     -18.4104      1.00000
     17     -17.9313      1.00000
     18     -17.9109      1.00000
     19     -17.7697      1.00000
     20     -17.7249      1.00000
     21     -17.4453      1.00000
     22     -17.4269      1.00000
     23     -17.3419      1.00000
     24     -16.4745      1.00000
     25     -16.4641      1.00000
     26     -15.9744      1.00000
     27     -15.4146      1.00000
     28     -15.4137      1.00000
     29     -15.0995      1.00000
     30     -15.0964      1.00000
     31     -14.8566      1.00000
     32     -14.8444      1.00000
     33     -14.3015      1.00000
     34     -14.2579      1.00000
     35     -13.4478      1.00000
     36     -13.4041      1.00000
     37     -13.1785      1.00000
     38     -13.1773      1.00000
     39     -12.9896      1.00000
     40     -12.9807      1.00000
     41     -12.6141      1.00000
     42     -12.6121      1.00000
     43     -12.2005      1.00000
     44     -11.5830      1.00000
     45     -11.5419      1.00000
     46     -11.3169      1.00000
     47     -11.2866      1.00000
     48     -11.1457      1.00000
     49     -10.6955      1.00000
     50     -10.6665      1.00000
     51     -10.5496      1.00000
     52     -10.3260      1.00000
     53     -10.3183      1.00000
     54     -10.1783      1.00000
     55     -10.1247      1.00000
     56     -10.1112      1.00000
     57      -9.8143      1.00000
     58      -9.7559      1.00000
     59      -9.7557      1.00000
     60      -9.7059      1.00000
     61      -9.7020      1.00000
     62      -9.6494      1.00000
     63      -9.3563      1.00000
     64      -9.3548      1.00000
     65      -9.3213      1.00000
     66      -9.0301      1.00000
     67      -8.9651      1.00000
     68      -8.9612      1.00000
     69      -8.7779      1.00000
     70      -8.5950      1.00000
     71      -8.5904      1.00000
     72      -8.4261      1.00000
     73      -8.3521      1.00000
     74      -8.3257      1.00000
     75      -8.3056      1.00000
     76      -8.2691      1.00000
     77      -8.2574      1.00000
     78      -8.2427      1.00000
     79      -7.9231      1.00000
     80      -7.7353      1.00000
     81      -7.3830      1.00000
     82      -7.3537      1.00000
     83      -7.3244      1.00000
     84      -7.2205      1.00000
     85      -7.1626      1.00000
     86      -7.0671      1.00000
     87      -6.9631      1.00000
     88      -6.9071      1.00000
     89      -6.6167      1.00000
     90      -6.5601      1.00000
     91      -6.2743      1.00000
     92      -5.9986      1.00000
     93      -5.9617      1.00000
     94      -5.6774      1.00000
     95      -5.6509      1.00000
     96      -5.3894      1.00000
     97      -5.3173      1.00000
     98      -5.2962      1.00000
     99      -5.2143      1.00000
    100      -5.2027      1.00000
    101      -4.5123      1.00000
    102      -4.3400      1.00000
    103      -3.9984      1.00000
    104      -3.8877      1.00000
    105      -3.7943      1.00000
    106      -3.4449      1.00000
    107      -2.0365      0.00000
    108      -1.8656      0.00000
    109      -1.2195      0.00000
    110      -1.1862      0.00000
    111      -1.0379      0.00000
    112      -0.7742      0.00000
    113      -0.6794      0.00000
    114      -0.6620      0.00000
    115      -0.6119      0.00000
    116      -0.1028      0.00000
    117       0.2203      0.00000
    118       0.2383      0.00000
    119       0.7746      0.00000
    120       0.9880      0.00000
    121       1.0737      0.00000
    122       1.2410      0.00000
    123       1.2509      0.00000
    124       1.3455      0.00000
    125       1.5801      0.00000
    126       1.5834      0.00000
    127       1.7152      0.00000
    128       1.8009      0.00000
    129       1.9543      0.00000
    130       1.9776      0.00000
    131       2.0699      0.00000
    132       2.2793      0.00000
    133       2.3409      0.00000
    134       2.4251      0.00000
    135       2.5526      0.00000
    136       2.6344      0.00000
    137       2.7523      0.00000
    138       2.8169      0.00000
    139       2.8503      0.00000
    140       2.8777      0.00000
    141       3.0571      0.00000
    142       3.1079      0.00000
    143       3.1644      0.00000
    144       3.2309      0.00000
    145       3.3766      0.00000
    146       3.4185      0.00000
    147       3.5163      0.00000
    148       3.5654      0.00000
    149       3.5915      0.00000
    150       3.6182      0.00000
    151       3.6593      0.00000
    152       3.7411      0.00000
    153       3.7526      0.00000
    154       3.7778      0.00000
    155       3.8029      0.00000
    156       3.8778      0.00000
    157       4.0248      0.00000
    158       4.0967      0.00000
    159       4.1798      0.00000
    160       4.2230      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0418   -7.3896    4.1978   -1.2757   -0.2386   17.5941    0.1472   -0.5323    0.6337   -0.4648
x    -3.0927   -0.0374   -0.0631    0.0616   -0.0091   -2.9775   -0.0109   -0.0070    0.0049    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0418    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0940   -0.0087    0.0374    0.0377
y    -0.0458   -3.2479   -0.5380   -0.1636   -1.1809   -0.6053
z   204.0418    1.1259   -0.2805    0.0408    0.0089    0.0616    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0777    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1678
z    -0.2831    0.1873   -0.0390    0.0471   -0.1050    0.0013
 total charge-density along one line
x   212.0000  -10.2205    6.1463   -2.0858   -0.4744   19.5124   -0.9960    0.4743   -0.0449   -0.1261
x    -2.6454   -0.0277   -0.0610    0.0845   -0.0533   -2.2247   -0.0249   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2205    6.1463   -2.0858   -0.4744   19.5124   -0.9960    0.4743   -0.0449   -0.1261
y    -2.6454   -0.0277   -0.0610    0.0845   -0.0533   -2.2247   -0.0249   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4920  189.2906 -170.3640  153.6451 -139.4299  125.4246 -110.1100   93.9628  -78.3487
z    64.1396  -51.4882   40.4244  -31.2204   24.1249  -18.9424   15.0291  -11.7167    8.7133   -6.1199
z     4.1305   -2.7590    1.8216   -1.1108    0.5396   -0.1269   -0.1111    0.2276   -0.3092    0.4000
z    -0.4767    0.4932   -0.4399    0.3548   -0.2860    0.2512   -0.2334    0.2088   -0.1709    0.1317
z    -0.1038    0.0881   -0.0768    0.0637   -0.0490    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0074    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.103   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.157   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.836  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.103   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.157   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.836  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.269   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.301   0.000   0.029  -0.191  -0.031   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.269   0.000  -0.311   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.301   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.585  -0.238   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.069   0.006
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.369  -0.419   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.031   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.419   0.175   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.263   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.045   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.261   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.647
  9        0.864   1.784   0.000   2.647
 10        0.864   1.785   0.000   2.649
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.781   0.000   2.641
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.647
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.646
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.783   0.000   2.647
 28        0.864   1.785   0.000   2.649
 29        0.864   1.783   0.000   2.647
 30        0.864   1.785   0.000   2.649
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.647
 35        0.864   1.782   0.000   2.646
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.646
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.860   1.781   0.000   2.641
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.784   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.649
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.647
 51        0.864   1.784   0.000   2.648
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.870  89.438   8.029 142.336
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  113.33: CPU time   57.26
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  435.51: CPU time  219.25
    STRESS:  VPU time 1309.92: CPU time  661.13
    FORCOR:  VPU time    8.66: CPU time    8.67
    FORHAR:  VPU time    2.29: CPU time    2.29
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force = 0.4001811E-04[ 0.794E-05, 0.721E-04]  d Energy = 0.4812211E-04-0.810E-05
 d Force = 0.1102607E+01[ 0.110E+01, 0.110E+01]  d Ewald  =-0.9789230E+01 0.109E+02


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726423 eV

  energy  without entropy=     -471.726423  energy(sigma->0) =     -471.726423
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40850.02  40804.52 -47548.84    -39.40      0.00      0.00
  Hartree  40274.45  40255.37 -39533.20    -16.53      0.00      0.00
  E(xc)     -779.44   -779.74   -807.37     -0.25      0.00      0.00
  Local   -83408.50 -83352.96  84396.93     48.10      0.00      0.00
  n-local   -216.86   -215.74   -203.45      0.70      0.00      0.00
  augment     20.05     22.04     17.82      1.72      0.00      0.00
  Kinetic   3162.60   3176.32   3584.35      3.52      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.01      0.02      0.17      0.03      0.00      0.00
  in kB       -0.01      0.01      0.10      0.02      0.00      0.00
  external pressure =        0.03 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345139608  0.000690041  0.000000000     0.081000926  0.046759937  0.000000000
    -6.171978852 10.691545613  0.000000000    -0.000005228  0.093528828  0.000000000
     0.000000000  0.000000000 19.986394497     0.000000000  0.000000000  0.050034037

  length of vectors
    12.345139627 12.345139551 19.986394497     0.093528828  0.093528828  0.050034037


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.477E-05 -.490E-04 -.952E+03   0.448E-05 -.278E-04 0.960E+03   -.254E-20 0.170E-20 -.871E+01   -.193E-07 0.244E-08 0.395E-01
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   0.142E-02 -.818E-03 -.109E-03
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   -.142E-02 0.818E-03 -.109E-03
   -.206E+01 0.119E+01 0.163E+02   0.206E+01 -.119E+01 -.162E+02   -.311E-02 0.180E-02 -.242E-01   -.141E-02 0.813E-03 -.471E-03
   0.616E+01 0.685E+01 0.194E+02   -.616E+01 -.686E+01 -.193E+02   0.458E-03 0.217E-01 -.272E-01   0.237E-02 -.363E-02 -.118E-03
   0.112E+02 0.509E+01 0.161E+02   -.112E+02 -.510E+01 -.161E+02   0.198E-01 0.839E-02 -.478E-01   -.377E-03 0.146E-02 0.803E-03
   0.471E+01 -.883E+00 0.126E+02   -.473E+01 0.892E+00 -.126E+02   0.144E-01 -.717E-02 -.174E-01   0.664E-03 -.195E-03 0.175E-02
   -.308E+01 -.252E+01 0.126E+02   0.308E+01 0.252E+01 -.126E+02   -.129E-02 0.277E-02 -.130E-01   -.412E-03 0.513E-03 0.328E-03
   0.645E+00 0.393E+01 0.126E+02   -.646E+00 -.393E+01 -.126E+02   -.304E-02 -.266E-03 -.130E-01   -.655E-03 0.940E-04 0.325E-03
   0.242E+01 0.189E+02 0.240E+02   -.242E+01 -.190E+02 -.240E+02   -.259E-02 0.103E+00 -.485E-01   0.191E-02 0.327E-02 0.851E-03
   0.227E+02 0.214E+02 0.423E+02   -.227E+02 -.216E+02 -.422E+02   0.771E-01 0.262E+00 -.603E-01   -.522E-02 0.102E-02 0.204E-02
   0.268E+02 -.343E+01 0.256E+02   -.271E+02 0.355E+01 -.256E+02   0.269E+00 -.109E+00 -.337E-01   0.207E-02 -.505E-03 0.150E-02
   0.913E+01 -.527E+01 0.136E+02   -.918E+01 0.530E+01 -.136E+02   0.421E-01 -.243E-01 -.122E-01   0.214E-02 -.124E-02 -.642E-04
   0.312E+01 -.364E+01 0.126E+02   -.314E+01 0.365E+01 -.126E+02   0.134E-01 -.891E-02 -.174E-01   0.498E-03 -.481E-03 0.174E-02
   -.593E+01 0.136E+02 0.161E+02   0.593E+01 -.137E+02 -.161E+02   -.123E-02 0.715E-01 -.519E-01   -.241E-03 -.201E-02 0.123E-02
   -.119E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.321E-01 0.612E+00 0.294E+00   0.156E-02 -.151E-02 0.314E-02
   0.236E+02 -.136E+02 0.940E+02   -.243E+02 0.140E+02 -.961E+02   0.636E+00 -.367E+00 0.205E+01   -.977E-04 0.537E-04 0.316E-02
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.229E+00 -.178E+00 -.337E-01   0.147E-02 -.155E-02 0.150E-02
   0.119E+01 -.122E+02 0.161E+02   -.119E+01 0.123E+02 -.161E+02   0.266E-02 -.214E-01 -.478E-01   -.145E-02 -.405E-03 0.798E-03
   -.414E+01 0.192E+01 0.116E+02   0.414E+01 -.193E+01 -.116E+02   -.407E-03 0.102E-01 -.439E-01   -.119E-02 0.491E-03 0.693E-03
   -.193E+02 0.111E+02 0.217E+02   0.193E+02 -.112E+02 -.217E+02   -.511E-01 0.295E-01 -.434E-01   0.190E-02 -.109E-02 0.170E-03
   -.373E+02 -.785E+01 0.478E+02   0.378E+02 0.813E+01 -.481E+02   -.546E+00 -.278E+00 0.294E+00   0.210E-02 -.598E-03 0.314E-02
   -.718E+01 -.303E+02 0.423E+02   0.736E+01 0.305E+02 -.422E+02   -.188E+00 -.198E+00 -.603E-01   -.349E-02 0.400E-02 0.204E-02
   -.285E+01 -.875E+01 0.194E+02   0.286E+01 0.877E+01 -.193E+02   -.185E-01 -.112E-01 -.272E-01   0.433E-02 -.238E-03 -.119E-03
   0.139E+01 -.802E+00 0.134E+02   -.139E+01 0.803E+00 -.134E+02   -.364E-04 0.210E-04 -.179E-01   -.138E-02 0.800E-03 -.204E-03
   -.373E+01 0.262E+01 0.116E+02   0.374E+01 -.262E+01 -.116E+02   -.900E-02 -.473E-02 -.439E-01   -.102E-02 0.793E-03 0.697E-03
   -.148E+02 -.169E+01 0.161E+02   0.148E+02 0.172E+01 -.161E+02   -.626E-01 -.347E-01 -.519E-01   0.162E-02 0.121E-02 0.123E-02
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.902E-01 -.491E-01 -.485E-01   -.187E-02 -.329E-02 0.854E-03
   0.285E+01 0.876E+01 0.194E+02   -.286E+01 -.877E+01 -.193E+02   0.185E-01 0.112E-01 -.272E-01   -.433E-02 0.238E-03 -.119E-03
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.902E-01 0.491E-01 -.485E-01   0.187E-02 0.329E-02 0.854E-03
   0.148E+02 0.169E+01 0.161E+02   -.148E+02 -.172E+01 -.161E+02   0.626E-01 0.347E-01 -.519E-01   -.162E-02 -.121E-02 0.123E-02
   0.373E+01 -.262E+01 0.116E+02   -.374E+01 0.262E+01 -.116E+02   0.900E-02 0.473E-02 -.439E-01   0.102E-02 -.793E-03 0.697E-03
   -.139E+01 0.802E+00 0.134E+02   0.139E+01 -.803E+00 -.134E+02   0.364E-04 -.210E-04 -.179E-01   0.138E-02 -.800E-03 -.204E-03
   -.119E+01 0.122E+02 0.161E+02   0.119E+01 -.123E+02 -.161E+02   -.266E-02 0.214E-01 -.478E-01   0.145E-02 0.405E-03 0.798E-03
   0.718E+01 0.303E+02 0.423E+02   -.736E+01 -.305E+02 -.422E+02   0.188E+00 0.198E+00 -.603E-01   0.349E-02 -.400E-02 0.204E-02
   0.373E+02 0.785E+01 0.478E+02   -.378E+02 -.813E+01 -.481E+02   0.546E+00 0.278E+00 0.294E+00   -.210E-02 0.598E-03 0.314E-02
   0.193E+02 -.111E+02 0.217E+02   -.193E+02 0.112E+02 -.217E+02   0.511E-01 -.295E-01 -.434E-01   -.190E-02 0.109E-02 0.170E-03
   0.414E+01 -.192E+01 0.116E+02   -.414E+01 0.193E+01 -.116E+02   0.407E-03 -.102E-01 -.439E-01   0.119E-02 -.491E-03 0.693E-03
   -.312E+01 0.364E+01 0.126E+02   0.314E+01 -.365E+01 -.126E+02   -.134E-01 0.891E-02 -.174E-01   -.498E-03 0.481E-03 0.174E-02
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.229E+00 0.178E+00 -.337E-01   -.147E-02 0.155E-02 0.150E-02
   -.236E+02 0.136E+02 0.940E+02   0.243E+02 -.140E+02 -.961E+02   -.636E+00 0.367E+00 0.205E+01   0.976E-04 -.537E-04 0.316E-02
   0.119E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.321E-01 -.612E+00 0.294E+00   -.156E-02 0.151E-02 0.314E-02
   0.593E+01 -.136E+02 0.161E+02   -.593E+01 0.137E+02 -.161E+02   0.123E-02 -.715E-01 -.519E-01   0.241E-03 0.201E-02 0.123E-02
   -.646E+00 -.393E+01 0.126E+02   0.646E+00 0.393E+01 -.126E+02   0.304E-02 0.266E-03 -.130E-01   0.655E-03 -.939E-04 0.325E-03
   -.913E+01 0.527E+01 0.136E+02   0.918E+01 -.530E+01 -.136E+02   -.421E-01 0.243E-01 -.122E-01   -.214E-02 0.124E-02 -.642E-04
   -.268E+02 0.343E+01 0.256E+02   0.271E+02 -.355E+01 -.256E+02   -.269E+00 0.109E+00 -.337E-01   -.207E-02 0.505E-03 0.150E-02
   -.227E+02 -.214E+02 0.423E+02   0.227E+02 0.216E+02 -.422E+02   -.771E-01 -.262E+00 -.603E-01   0.522E-02 -.102E-02 0.204E-02
   -.242E+01 -.189E+02 0.240E+02   0.242E+01 0.190E+02 -.240E+02   0.259E-02 -.103E+00 -.485E-01   -.191E-02 -.327E-02 0.851E-03
   0.206E+01 -.119E+01 0.163E+02   -.206E+01 0.119E+01 -.162E+02   0.311E-02 -.180E-02 -.242E-01   0.141E-02 -.813E-03 -.471E-03
   0.308E+01 0.252E+01 0.126E+02   -.308E+01 -.252E+01 -.126E+02   0.129E-02 -.277E-02 -.130E-01   0.412E-03 -.513E-03 0.328E-03
   -.471E+01 0.883E+00 0.126E+02   0.473E+01 -.892E+00 -.126E+02   -.144E-01 0.717E-02 -.174E-01   -.664E-03 0.195E-03 0.175E-02
   -.112E+02 -.509E+01 0.161E+02   0.112E+02 0.510E+01 -.161E+02   -.198E-01 -.839E-02 -.478E-01   0.377E-03 -.146E-02 0.803E-03
   -.616E+01 -.685E+01 0.194E+02   0.616E+01 0.686E+01 -.193E+02   -.458E-03 -.217E-01 -.272E-01   -.237E-02 0.363E-02 -.118E-03
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.289E-03 0.996E+01   -.879E-13 0.114E-12 -.316E-12   0.224E-15 0.274E-15 -.101E+02   -.730E-07 0.462E-07 0.933E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85211      6.05884     12.26471         0.000000      0.000000      0.006207
      1.07497      6.50752     13.52421         0.001259     -0.000727      0.009923
      2.62924      5.61016     13.52421        -0.001259      0.000727      0.009923
      0.00015     -0.00009      9.91082        -0.002162      0.001248      0.000636
     -1.23474      2.13683      9.90948        -0.001112      0.002149      0.000532
     -2.46994      4.27634      9.92946        -0.003349      0.002163     -0.000018
     -3.70363      6.41501      9.93717        -0.002413      0.001718     -0.000665
     -4.93735      8.55322      9.92774        -0.004286      0.002346     -0.000069
      2.46916     -0.00006      9.92774        -0.004175      0.002539     -0.000069
      1.23392      2.13662      9.91901        -0.003997      0.000885     -0.000966
     -0.00265      4.27071      9.93152        -0.003713      0.003400     -0.002327
     -1.23832      6.41562      9.95362        -0.000641      0.001364     -0.000944
     -2.46890      8.55357      9.93904        -0.001370      0.000791      0.001093
      4.93776      0.00062      9.93717        -0.002694      0.001230     -0.000665
      3.70409      2.13669      9.94047        -0.001734     -0.000272     -0.001046
      2.46985      4.26841      9.96807        -0.004239      0.001161     -0.002455
      1.22909      6.41854      9.97430        -0.005609      0.003238      0.000313
     -0.00209      8.55684      9.95362        -0.001502     -0.000127     -0.000944
      7.40675      0.00155      9.92946        -0.003548      0.001819     -0.000018
      6.17243      2.13877      9.93579        -0.003254      0.002145     -0.000169
      4.93890      4.27668      9.94852        -0.000132      0.000076      0.000382
      3.71153      6.41908      9.96807        -0.003125      0.003091     -0.002455
      2.47330      8.55917      9.93152        -0.004801      0.001515     -0.002327
      9.87722      0.00159      9.90948        -0.002417     -0.000112      0.000532
      8.64160      2.13893      9.92067        -0.003501      0.002021      0.000803
      7.40715      4.27737      9.93579        -0.003485      0.001745     -0.000169
      6.17478      6.41605      9.94047        -0.000632      0.001637     -0.001046
      4.93975      8.55531      9.91901        -0.002765      0.003019     -0.000966
     -0.00103      1.42455      9.90948         0.002417      0.000112      0.000532
     -1.23554      3.56237      9.91901         0.002765     -0.003019     -0.000966
     -2.47057      5.70163      9.94047         0.000632     -0.001637     -0.001046
     -3.70294      7.84032      9.93579         0.003485     -0.001745     -0.000169
     -4.93739      9.97876      9.92067         0.003501     -0.002021      0.000803
      2.46945      1.42459      9.92946         0.003548     -0.001819     -0.000018
      1.23091      3.55851      9.93152         0.004801     -0.001515     -0.002327
     -0.00732      5.69860      9.96807         0.003125     -0.003091     -0.002455
     -1.23469      7.84100      9.94852         0.000132     -0.000076      0.000382
     -2.46822      9.97891      9.93579         0.003254     -0.002145     -0.000169
      4.93843      1.42552      9.93717         0.002694     -0.001230     -0.000665
      3.70630      3.56084      9.95362         0.001502      0.000127     -0.000944
      2.47512      5.69914      9.97430         0.005609     -0.003238      0.000313
      1.23437      7.84927      9.96807         0.004239     -0.001161     -0.002455
      0.00012      9.98099      9.94047         0.001734      0.000272     -0.001046
      7.40703      1.42620      9.92774         0.004175     -0.002539     -0.000069
      6.17311      3.56411      9.93904         0.001370     -0.000791      0.001093
      4.94253      5.70206      9.95362         0.000641     -0.001364     -0.000944
      3.70686      7.84698      9.93152         0.003713     -0.003400     -0.002327
      2.47029      9.98106      9.91901         0.003997     -0.000885     -0.000966
      9.87604      1.42622      9.91082         0.002162     -0.001248      0.000636
      8.64156      3.56447      9.92774         0.004286     -0.002346     -0.000069
      7.40784      5.70267      9.93717         0.002413     -0.001718     -0.000665
      6.17415      7.84134      9.92946         0.003349     -0.002163     -0.000018
      4.93895      9.98086      9.90948         0.001112     -0.002149      0.000532
 -----------------------------------------------------------------------------------
    total drift:                               -0.001802      0.000289     -0.009650


--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.000048  1 .order   -0.000046   -0.000065   -0.000027
  (g-gl).g = 0.181E-03      g.g   = 0.154E-03  gl.gl    = 0.181E-03
 g(Force)  = 0.151E-03   g(Stress)= 0.216E-05 ortho     =-0.280E-04
 gamma     =   0.99932
 trial     =   0.51655
 opt step  =   0.88889  (harmonic =   0.88889) maximal distance =0.00153416
 next E    =  -471.726430   (d E  =  -0.00006)


--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.96: CPU time    1.96
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.36: CPU time    1.36
    ORTHCH:  VPU time  181.05: CPU time   90.88
     LOOP+:  VPU time 5528.88: CPU time 2845.87


----------------------------------------- Iteration   23(   1)  ---------------------------------------


    POTLOK:  VPU time    9.14: CPU time    9.04
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 1808.77: CPU time  931.47
 BZINTS: Fermi energy: -3.206860;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  112.74: CPU time   56.83
    MIXING:  VPU time    0.16: CPU time    0.17
    ------------------------------------------
      LOOP:  VPU time 1931.20: CPU time  997.87

 eigenvalue-minimisations  :  6048
 total energy-change (2. order) :-0.4717264E+03  (-0.4456424E-03)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9589357 magnetization    0.0000001

 Broyden mixing:
  rms(total) = 0.24569E-02    rms(broyden)= 0.24564E-02
  rms(prec ) = 0.27734E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34112.77811442
  -1/2 Hartree   DENC   =    -41002.23876074
  -V(xc)+E(xc)   XCENC  =       726.59972114
  PAW double counting   =      4094.26698808    -4132.61618677
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2475.95614244
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641271 eV

  energy without entropy =     -471.72641271  energy(sigma->0) =     -471.72641271


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   23(   2)  ---------------------------------------


    POTLOK:  VPU time    9.00: CPU time    9.00
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1446.64: CPU time  743.91
 BZINTS: Fermi energy: -3.207798;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time   -0.01: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1456.06: CPU time  753.27

 eigenvalue-minimisations  :  4400
 total energy-change (2. order) : 0.1787868E-04  (-0.9099781E-05)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9589357 magnetization    0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34112.77811442
  -1/2 Hartree   DENC   =    -41002.51723943
  -V(xc)+E(xc)   XCENC  =       726.60920335
  PAW double counting   =      4094.50193263    -4132.85203388
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2475.68622553
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72639483 eV

  energy without entropy =     -471.72639483  energy(sigma->0) =     -471.72639483


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2192       2 -39.5372       3 -39.5373       4 -58.3174       5 -58.3212
       6 -58.3237       7 -58.3183       8 -58.3186       9 -58.3186      10 -58.3251
      11 -58.3912      12 -58.3553      13 -58.3264      14 -58.3183      15 -58.3283
      16 -58.5457      17 -58.7330      18 -58.3553      19 -58.3237      20 -58.3235
      21 -58.3613      22 -58.5457      23 -58.3913      24 -58.3212      25 -58.3263
      26 -58.3235      27 -58.3283      28 -58.3252      29 -58.3211      30 -58.3250
      31 -58.3281      32 -58.3234      33 -58.3262      34 -58.3236      35 -58.3912
      36 -58.5456      37 -58.3612      38 -58.3234      39 -58.3182      40 -58.3552
      41 -58.7329      42 -58.5456      43 -58.3282      44 -58.3185      45 -58.3263
      46 -58.3552      47 -58.3912      48 -58.3251      49 -58.3173      50 -58.3185
      51 -58.3182      52 -58.3236      53 -58.3211
 
 
 
 E-fermi :  -3.2078     XC(G=0):  -2.3306     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4319      1.00000
      2     -21.6085      1.00000
      3     -21.4869      1.00000
      4     -21.4778      1.00000
      5     -21.4462      1.00000
      6     -21.4454      1.00000
      7     -21.4354      1.00000
      8     -19.7125      1.00000
      9     -19.6578      1.00000
     10     -19.6345      1.00000
     11     -19.6232      1.00000
     12     -19.6178      1.00000
     13     -19.6174      1.00000
     14     -18.7943      1.00000
     15     -18.7597      1.00000
     16     -18.7399      1.00000
     17     -18.7303      1.00000
     18     -18.7234      1.00000
     19     -18.7174      1.00000
     20     -16.6393      1.00000
     21     -16.6135      1.00000
     22     -16.5888      1.00000
     23     -16.5852      1.00000
     24     -16.5586      1.00000
     25     -16.5567      1.00000
     26     -15.6197      1.00000
     27     -15.6060      1.00000
     28     -15.6031      1.00000
     29     -15.5695      1.00000
     30     -15.5676      1.00000
     31     -15.5676      1.00000
     32     -14.2645      1.00000
     33     -14.2553      1.00000
     34     -14.2445      1.00000
     35     -14.2395      1.00000
     36     -14.2272      1.00000
     37     -14.2240      1.00000
     38     -11.9095      1.00000
     39     -11.8824      1.00000
     40     -11.8708      1.00000
     41     -11.8700      1.00000
     42     -11.8490      1.00000
     43     -11.8489      1.00000
     44     -11.7758      1.00000
     45     -11.7725      1.00000
     46     -11.7408      1.00000
     47     -11.7337      1.00000
     48     -11.7286      1.00000
     49     -11.7271      1.00000
     50     -10.6795      1.00000
     51     -10.3934      1.00000
     52     -10.3876      1.00000
     53     -10.3809      1.00000
     54     -10.3738      1.00000
     55     -10.3596      1.00000
     56     -10.3578      1.00000
     57      -9.9071      1.00000
     58      -9.4540      1.00000
     59      -9.4092      1.00000
     60      -9.3662      1.00000
     61      -9.3656      1.00000
     62      -9.3578      1.00000
     63      -9.1466      1.00000
     64      -9.1253      1.00000
     65      -9.1245      1.00000
     66      -9.0879      1.00000
     67      -9.0761      1.00000
     68      -9.0761      1.00000
     69      -9.0758      1.00000
     70      -9.0676      1.00000
     71      -9.0675      1.00000
     72      -9.0423      1.00000
     73      -9.0331      1.00000
     74      -9.0289      1.00000
     75      -8.1320      1.00000
     76      -7.7470      1.00000
     77      -7.4715      1.00000
     78      -7.4707      1.00000
     79      -7.4577      1.00000
     80      -7.4375      1.00000
     81      -7.4286      1.00000
     82      -7.4109      1.00000
     83      -7.3161      1.00000
     84      -7.2740      1.00000
     85      -7.2604      1.00000
     86      -7.2523      1.00000
     87      -7.1534      1.00000
     88      -7.0520      1.00000
     89      -6.4490      1.00000
     90      -6.4191      1.00000
     91      -6.4035      1.00000
     92      -6.3668      1.00000
     93      -6.3558      1.00000
     94      -6.3435      1.00000
     95      -5.9634      1.00000
     96      -5.9603      1.00000
     97      -4.8081      1.00000
     98      -4.5466      1.00000
     99      -4.4840      1.00000
    100      -4.4765      1.00000
    101      -4.3849      1.00000
    102      -4.3843      1.00000
    103      -4.2699      1.00000
    104      -4.1889      1.00000
    105      -3.7411      1.00000
    106      -3.4792      1.00000
    107      -1.8629      0.00000
    108      -1.6733      0.00000
    109      -1.6270      0.00000
    110      -1.5939      0.00000
    111      -1.5784      0.00000
    112      -1.5774      0.00000
    113      -0.4303      0.00000
    114       0.1427      0.00000
    115       0.1904      0.00000
    116       0.2539      0.00000
    117       0.2648      0.00000
    118       0.2691      0.00000
    119       0.4746      0.00000
    120       0.5440      0.00000
    121       1.2476      0.00000
    122       1.2881      0.00000
    123       1.5358      0.00000
    124       1.7680      0.00000
    125       1.7708      0.00000
    126       1.7711      0.00000
    127       1.8213      0.00000
    128       1.8275      0.00000
    129       1.9572      0.00000
    130       1.9669      0.00000
    131       1.9720      0.00000
    132       1.9870      0.00000
    133       1.9942      0.00000
    134       2.0751      0.00000
    135       2.2465      0.00000
    136       2.3507      0.00000
    137       2.6085      0.00000
    138       2.6113      0.00000
    139       2.6370      0.00000
    140       2.7299      0.00000
    141       2.9392      0.00000
    142       3.0708      0.00000
    143       3.0899      0.00000
    144       3.1214      0.00000
    145       3.1287      0.00000
    146       3.1331      0.00000
    147       3.1377      0.00000
    148       3.2840      0.00000
    149       3.4659      0.00000
    150       3.5144      0.00000
    151       3.8393      0.00000
    152       3.9719      0.00000
    153       3.9881      0.00000
    154       3.9912      0.00000
    155       3.9995      0.00000
    156       4.0043      0.00000
    157       4.2001      0.00000
    158       4.2616      0.00000
    159       4.2829      0.00000
    160       4.2847      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3952      1.00000
      2     -21.8360      1.00000
      3     -21.6437      1.00000
      4     -21.6159      1.00000
      5     -21.2801      1.00000
      6     -21.2407      1.00000
      7     -21.0622      1.00000
      8     -20.1729      1.00000
      9     -20.1346      1.00000
     10     -19.6137      1.00000
     11     -19.6028      1.00000
     12     -19.4221      1.00000
     13     -19.0947      1.00000
     14     -19.0648      1.00000
     15     -19.0538      1.00000
     16     -19.0467      1.00000
     17     -18.3654      1.00000
     18     -18.3573      1.00000
     19     -18.0237      1.00000
     20     -17.0736      1.00000
     21     -17.0348      1.00000
     22     -16.9481      1.00000
     23     -16.9446      1.00000
     24     -16.4724      1.00000
     25     -16.4677      1.00000
     26     -15.6195      1.00000
     27     -15.6119      1.00000
     28     -15.2574      1.00000
     29     -15.2481      1.00000
     30     -15.1891      1.00000
     31     -15.1020      1.00000
     32     -15.0756      1.00000
     33     -14.7034      1.00000
     34     -14.7012      1.00000
     35     -13.7310      1.00000
     36     -13.7285      1.00000
     37     -13.2397      1.00000
     38     -12.6178      1.00000
     39     -12.5880      1.00000
     40     -12.4587      1.00000
     41     -12.4553      1.00000
     42     -12.1133      1.00000
     43     -12.1092      1.00000
     44     -11.7223      1.00000
     45     -11.6914      1.00000
     46     -11.2393      1.00000
     47     -11.2296      1.00000
     48     -11.0219      1.00000
     49     -11.0139      1.00000
     50     -10.9316      1.00000
     51     -10.9099      1.00000
     52     -10.6346      1.00000
     53     -10.1588      1.00000
     54     -10.1551      1.00000
     55     -10.0952      1.00000
     56     -10.0019      1.00000
     57      -9.7076      1.00000
     58      -9.6986      1.00000
     59      -9.6600      1.00000
     60      -9.5952      1.00000
     61      -9.5816      1.00000
     62      -9.5622      1.00000
     63      -9.3111      1.00000
     64      -9.3071      1.00000
     65      -9.2779      1.00000
     66      -9.2413      1.00000
     67      -9.1404      1.00000
     68      -9.1184      1.00000
     69      -9.1159      1.00000
     70      -8.9433      1.00000
     71      -8.8769      1.00000
     72      -8.6089      1.00000
     73      -8.5946      1.00000
     74      -8.2390      1.00000
     75      -8.1035      1.00000
     76      -7.9160      1.00000
     77      -7.8683      1.00000
     78      -7.7750      1.00000
     79      -7.7608      1.00000
     80      -7.6948      1.00000
     81      -7.5626      1.00000
     82      -7.3419      1.00000
     83      -7.3266      1.00000
     84      -7.2075      1.00000
     85      -7.1265      1.00000
     86      -7.0351      1.00000
     87      -7.0168      1.00000
     88      -6.7075      1.00000
     89      -6.6813      1.00000
     90      -6.6443      1.00000
     91      -6.6005      1.00000
     92      -6.1187      1.00000
     93      -6.0657      1.00000
     94      -6.0350      1.00000
     95      -6.0144      1.00000
     96      -5.7863      1.00000
     97      -4.9767      1.00000
     98      -4.8347      1.00000
     99      -4.7498      1.00000
    100      -4.6820      1.00000
    101      -4.4703      1.00000
    102      -4.2050      1.00000
    103      -4.1742      1.00000
    104      -4.1304      1.00000
    105      -3.7314      1.00000
    106      -3.4894      1.00000
    107      -1.8722      0.00000
    108      -1.8117      0.00000
    109      -1.5262      0.00000
    110      -1.3806      0.00000
    111      -1.3235      0.00000
    112      -1.2905      0.00000
    113      -0.7217      0.00000
    114      -0.3778      0.00000
    115      -0.2528      0.00000
    116       0.0348      0.00000
    117       0.5522      0.00000
    118       0.6955      0.00000
    119       0.7442      0.00000
    120       1.0458      0.00000
    121       1.0981      0.00000
    122       1.1474      0.00000
    123       1.2256      0.00000
    124       1.3764      0.00000
    125       1.5211      0.00000
    126       1.5809      0.00000
    127       1.7143      0.00000
    128       1.8272      0.00000
    129       1.8596      0.00000
    130       1.8797      0.00000
    131       2.0969      0.00000
    132       2.1840      0.00000
    133       2.2404      0.00000
    134       2.3082      0.00000
    135       2.5157      0.00000
    136       2.5896      0.00000
    137       2.6682      0.00000
    138       2.7801      0.00000
    139       2.8057      0.00000
    140       2.8327      0.00000
    141       2.8861      0.00000
    142       2.9066      0.00000
    143       2.9621      0.00000
    144       3.0819      0.00000
    145       3.1563      0.00000
    146       3.3333      0.00000
    147       3.4108      0.00000
    148       3.4521      0.00000
    149       3.4807      0.00000
    150       3.6331      0.00000
    151       3.6590      0.00000
    152       3.6923      0.00000
    153       3.7319      0.00000
    154       3.9259      0.00000
    155       3.9709      0.00000
    156       4.0206      0.00000
    157       4.0766      0.00000
    158       4.2550      0.00000
    159       4.2656      0.00000
    160       4.2867      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2891      1.00000
      2     -22.0835      1.00000
      3     -21.7222      1.00000
      4     -21.6903      1.00000
      5     -20.9848      1.00000
      6     -20.9442      1.00000
      7     -20.6171      1.00000
      8     -20.5806      1.00000
      9     -20.5741      1.00000
     10     -20.0378      1.00000
     11     -19.5085      1.00000
     12     -19.4969      1.00000
     13     -19.3118      1.00000
     14     -19.3070      1.00000
     15     -18.4525      1.00000
     16     -18.4158      1.00000
     17     -17.9268      1.00000
     18     -17.9179      1.00000
     19     -17.7662      1.00000
     20     -17.7305      1.00000
     21     -17.4403      1.00000
     22     -17.4333      1.00000
     23     -17.3453      1.00000
     24     -16.4674      1.00000
     25     -16.4662      1.00000
     26     -15.9716      1.00000
     27     -15.4196      1.00000
     28     -15.4135      1.00000
     29     -15.1017      1.00000
     30     -15.0978      1.00000
     31     -14.8592      1.00000
     32     -14.8518      1.00000
     33     -14.2941      1.00000
     34     -14.2617      1.00000
     35     -13.4403      1.00000
     36     -13.4083      1.00000
     37     -13.1818      1.00000
     38     -13.1787      1.00000
     39     -12.9866      1.00000
     40     -12.9818      1.00000
     41     -12.6171      1.00000
     42     -12.6145      1.00000
     43     -12.2015      1.00000
     44     -11.5816      1.00000
     45     -11.5478      1.00000
     46     -11.3157      1.00000
     47     -11.2928      1.00000
     48     -11.1455      1.00000
     49     -10.6809      1.00000
     50     -10.6638      1.00000
     51     -10.5566      1.00000
     52     -10.3270      1.00000
     53     -10.3222      1.00000
     54     -10.1732      1.00000
     55     -10.1195      1.00000
     56     -10.1166      1.00000
     57      -9.8020      1.00000
     58      -9.7680      1.00000
     59      -9.7565      1.00000
     60      -9.7047      1.00000
     61      -9.7003      1.00000
     62      -9.6659      1.00000
     63      -9.3575      1.00000
     64      -9.3562      1.00000
     65      -9.3203      1.00000
     66      -9.0444      1.00000
     67      -8.9654      1.00000
     68      -8.9541      1.00000
     69      -8.8030      1.00000
     70      -8.5993      1.00000
     71      -8.5612      1.00000
     72      -8.4018      1.00000
     73      -8.3683      1.00000
     74      -8.3287      1.00000
     75      -8.3107      1.00000
     76      -8.2633      1.00000
     77      -8.2608      1.00000
     78      -8.2408      1.00000
     79      -7.9077      1.00000
     80      -7.6532      1.00000
     81      -7.5513      1.00000
     82      -7.3894      1.00000
     83      -7.3531      1.00000
     84      -7.2339      1.00000
     85      -7.0995      1.00000
     86      -7.0421      1.00000
     87      -6.9370      1.00000
     88      -6.8509      1.00000
     89      -6.6170      1.00000
     90      -6.5617      1.00000
     91      -6.2740      1.00000
     92      -6.0467      1.00000
     93      -5.9545      1.00000
     94      -5.6656      1.00000
     95      -5.6255      1.00000
     96      -5.4659      1.00000
     97      -5.3228      1.00000
     98      -5.2818      1.00000
     99      -5.2168      1.00000
    100      -5.1966      1.00000
    101      -4.5095      1.00000
    102      -4.2090      1.00000
    103      -4.0612      1.00000
    104      -3.9918      1.00000
    105      -3.6962      1.00000
    106      -3.4996      1.00000
    107      -1.9487      0.00000
    108      -1.8988      0.00000
    109      -1.3406      0.00000
    110      -1.0870      0.00000
    111      -1.0612      0.00000
    112      -0.8022      0.00000
    113      -0.6805      0.00000
    114      -0.6488      0.00000
    115      -0.6096      0.00000
    116      -0.1099      0.00000
    117       0.2132      0.00000
    118       0.3269      0.00000
    119       0.6907      0.00000
    120       0.8842      0.00000
    121       1.1247      0.00000
    122       1.1968      0.00000
    123       1.3238      0.00000
    124       1.4178      0.00000
    125       1.5517      0.00000
    126       1.5742      0.00000
    127       1.6774      0.00000
    128       1.8116      0.00000
    129       1.8867      0.00000
    130       2.0568      0.00000
    131       2.1451      0.00000
    132       2.3363      0.00000
    133       2.3684      0.00000
    134       2.3945      0.00000
    135       2.5464      0.00000
    136       2.6326      0.00000
    137       2.7296      0.00000
    138       2.7867      0.00000
    139       2.8533      0.00000
    140       2.8931      0.00000
    141       3.0486      0.00000
    142       3.0710      0.00000
    143       3.1670      0.00000
    144       3.2689      0.00000
    145       3.3614      0.00000
    146       3.4179      0.00000
    147       3.4408      0.00000
    148       3.5726      0.00000
    149       3.5940      0.00000
    150       3.6150      0.00000
    151       3.6632      0.00000
    152       3.6788      0.00000
    153       3.7843      0.00000
    154       3.8151      0.00000
    155       3.8361      0.00000
    156       3.9060      0.00000
    157       3.9235      0.00000
    158       4.0056      0.00000
    159       4.2202      0.00000
    160       4.2356      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3231      1.00000
      2     -21.9684      1.00000
      3     -21.8993      1.00000
      4     -21.3864      1.00000
      5     -21.3572      1.00000
      6     -20.8450      1.00000
      7     -20.7797      1.00000
      8     -20.6293      1.00000
      9     -20.0831      1.00000
     10     -20.0772      1.00000
     11     -19.7219      1.00000
     12     -19.6975      1.00000
     13     -19.0017      1.00000
     14     -18.9955      1.00000
     15     -18.6459      1.00000
     16     -18.6299      1.00000
     17     -18.4668      1.00000
     18     -17.6798      1.00000
     19     -17.6294      1.00000
     20     -17.6265      1.00000
     21     -17.5847      1.00000
     22     -17.1312      1.00000
     23     -17.1099      1.00000
     24     -16.9666      1.00000
     25     -16.0060      1.00000
     26     -15.9352      1.00000
     27     -15.5904      1.00000
     28     -15.5899      1.00000
     29     -15.2919      1.00000
     30     -14.8684      1.00000
     31     -14.8414      1.00000
     32     -14.5830      1.00000
     33     -14.5411      1.00000
     34     -14.1740      1.00000
     35     -14.1602      1.00000
     36     -13.1517      1.00000
     37     -13.1049      1.00000
     38     -13.0337      1.00000
     39     -13.0235      1.00000
     40     -12.7130      1.00000
     41     -12.7087      1.00000
     42     -12.3466      1.00000
     43     -12.3154      1.00000
     44     -11.6408      1.00000
     45     -11.6273      1.00000
     46     -11.5775      1.00000
     47     -10.9545      1.00000
     48     -10.9213      1.00000
     49     -10.6359      1.00000
     50     -10.6279      1.00000
     51     -10.5510      1.00000
     52     -10.5046      1.00000
     53     -10.5041      1.00000
     54     -10.4428      1.00000
     55     -10.3637      1.00000
     56     -10.1032      1.00000
     57      -9.9075      1.00000
     58      -9.6115      1.00000
     59      -9.5595      1.00000
     60      -9.4565      1.00000
     61      -9.4169      1.00000
     62      -9.4095      1.00000
     63      -9.3807      1.00000
     64      -9.3802      1.00000
     65      -9.2911      1.00000
     66      -9.1734      1.00000
     67      -9.1479      1.00000
     68      -9.1199      1.00000
     69      -8.8695      1.00000
     70      -8.8620      1.00000
     71      -8.8187      1.00000
     72      -8.6006      1.00000
     73      -8.4835      1.00000
     74      -8.2034      1.00000
     75      -8.1679      1.00000
     76      -8.0120      1.00000
     77      -7.9660      1.00000
     78      -7.8532      1.00000
     79      -7.8436      1.00000
     80      -7.7077      1.00000
     81      -7.7003      1.00000
     82      -7.6252      1.00000
     83      -7.4516      1.00000
     84      -7.3036      1.00000
     85      -7.2553      1.00000
     86      -6.9104      1.00000
     87      -6.8967      1.00000
     88      -6.5920      1.00000
     89      -6.5543      1.00000
     90      -6.4085      1.00000
     91      -6.2565      1.00000
     92      -6.2357      1.00000
     93      -6.2103      1.00000
     94      -6.0260      1.00000
     95      -5.5530      1.00000
     96      -5.4918      1.00000
     97      -5.3531      1.00000
     98      -5.2226      1.00000
     99      -4.9821      1.00000
    100      -4.7348      1.00000
    101      -4.6806      1.00000
    102      -4.3891      1.00000
    103      -4.2044      1.00000
    104      -3.8726      1.00000
    105      -3.5486      1.00000
    106      -3.5115      1.00000
    107      -2.2593      0.00000
    108      -1.4578      0.00000
    109      -1.3744      0.00000
    110      -1.2444      0.00000
    111      -1.1000      0.00000
    112      -0.9470      0.00000
    113      -0.8657      0.00000
    114      -0.8053      0.00000
    115      -0.1411      0.00000
    116       0.1079      0.00000
    117       0.2381      0.00000
    118       0.3753      0.00000
    119       0.6481      0.00000
    120       0.8337      0.00000
    121       0.9344      0.00000
    122       1.0608      0.00000
    123       1.2297      0.00000
    124       1.4460      0.00000
    125       1.5501      0.00000
    126       1.7645      0.00000
    127       1.7932      0.00000
    128       1.8832      0.00000
    129       1.9671      0.00000
    130       2.0505      0.00000
    131       2.1736      0.00000
    132       2.2021      0.00000
    133       2.4121      0.00000
    134       2.4905      0.00000
    135       2.5457      0.00000
    136       2.6019      0.00000
    137       2.6401      0.00000
    138       2.6928      0.00000
    139       2.7914      0.00000
    140       2.8377      0.00000
    141       2.9497      0.00000
    142       3.0937      0.00000
    143       3.2020      0.00000
    144       3.2349      0.00000
    145       3.2809      0.00000
    146       3.3396      0.00000
    147       3.3587      0.00000
    148       3.4747      0.00000
    149       3.4985      0.00000
    150       3.6987      0.00000
    151       3.7116      0.00000
    152       3.7337      0.00000
    153       3.8562      0.00000
    154       3.9240      0.00000
    155       3.9604      0.00000
    156       3.9804      0.00000
    157       4.0336      0.00000
    158       4.0383      0.00000
    159       4.0580      0.00000
    160       4.0966      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2160      1.00000
      2     -22.1232      1.00000
      3     -21.9625      1.00000
      4     -21.4100      1.00000
      5     -21.0552      1.00000
      6     -21.0194      1.00000
      7     -20.5060      1.00000
      8     -20.4667      1.00000
      9     -20.3003      1.00000
     10     -20.2808      1.00000
     11     -19.9628      1.00000
     12     -19.8972      1.00000
     13     -18.8876      1.00000
     14     -18.8190      1.00000
     15     -18.3577      1.00000
     16     -18.3115      1.00000
     17     -18.1580      1.00000
     18     -18.1408      1.00000
     19     -17.8315      1.00000
     20     -17.7939      1.00000
     21     -17.2563      1.00000
     22     -17.2464      1.00000
     23     -17.1693      1.00000
     24     -17.1377      1.00000
     25     -16.1148      1.00000
     26     -15.8909      1.00000
     27     -15.8751      1.00000
     28     -15.8390      1.00000
     29     -15.2409      1.00000
     30     -14.5600      1.00000
     31     -14.5321      1.00000
     32     -14.2846      1.00000
     33     -13.9679      1.00000
     34     -13.9605      1.00000
     35     -13.8244      1.00000
     36     -13.8087      1.00000
     37     -13.6193      1.00000
     38     -13.5755      1.00000
     39     -13.3753      1.00000
     40     -12.6394      1.00000
     41     -12.1855      1.00000
     42     -12.1374      1.00000
     43     -12.0774      1.00000
     44     -12.0251      1.00000
     45     -11.6734      1.00000
     46     -11.6599      1.00000
     47     -11.1434      1.00000
     48     -11.1227      1.00000
     49     -10.7998      1.00000
     50     -10.7362      1.00000
     51     -10.5321      1.00000
     52     -10.2120      1.00000
     53     -10.2107      1.00000
     54     -10.1687      1.00000
     55     -10.0219      1.00000
     56     -10.0081      1.00000
     57      -9.9950      1.00000
     58      -9.8058      1.00000
     59      -9.8013      1.00000
     60      -9.7665      1.00000
     61      -9.7613      1.00000
     62      -9.4595      1.00000
     63      -9.4211      1.00000
     64      -9.0843      1.00000
     65      -9.0761      1.00000
     66      -9.0449      1.00000
     67      -8.9597      1.00000
     68      -8.8810      1.00000
     69      -8.7162      1.00000
     70      -8.7038      1.00000
     71      -8.5705      1.00000
     72      -8.5479      1.00000
     73      -8.5030      1.00000
     74      -8.4662      1.00000
     75      -8.4580      1.00000
     76      -8.2637      1.00000
     77      -8.1288      1.00000
     78      -8.0468      1.00000
     79      -7.9193      1.00000
     80      -7.8661      1.00000
     81      -7.6179      1.00000
     82      -7.5523      1.00000
     83      -7.4930      1.00000
     84      -7.2698      1.00000
     85      -6.9983      1.00000
     86      -6.9265      1.00000
     87      -6.8853      1.00000
     88      -6.5368      1.00000
     89      -6.4914      1.00000
     90      -6.4644      1.00000
     91      -6.4134      1.00000
     92      -5.9867      1.00000
     93      -5.9004      1.00000
     94      -5.7876      1.00000
     95      -5.7626      1.00000
     96      -5.4349      1.00000
     97      -5.3320      1.00000
     98      -5.2333      1.00000
     99      -5.2206      1.00000
    100      -5.1911      1.00000
    101      -4.6945      1.00000
    102      -4.4229      1.00000
    103      -4.2108      1.00000
    104      -3.8357      1.00000
    105      -3.5306      1.00000
    106      -3.2766      1.00000
    107      -2.5338      0.00000
    108      -1.4595      0.00000
    109      -1.2695      0.00000
    110      -1.2053      0.00000
    111      -1.1751      0.00000
    112      -0.7213      0.00000
    113      -0.5058      0.00000
    114      -0.4141      0.00000
    115      -0.3423      0.00000
    116      -0.1480      0.00000
    117      -0.0049      0.00000
    118       0.1916      0.00000
    119       0.5585      0.00000
    120       0.6103      0.00000
    121       0.7932      0.00000
    122       0.9030      0.00000
    123       1.1289      0.00000
    124       1.4910      0.00000
    125       1.6349      0.00000
    126       1.8524      0.00000
    127       1.9275      0.00000
    128       2.1051      0.00000
    129       2.1145      0.00000
    130       2.1822      0.00000
    131       2.1990      0.00000
    132       2.2778      0.00000
    133       2.3553      0.00000
    134       2.4799      0.00000
    135       2.5856      0.00000
    136       2.6586      0.00000
    137       2.8536      0.00000
    138       2.8701      0.00000
    139       2.8928      0.00000
    140       3.0377      0.00000
    141       3.0454      0.00000
    142       3.1388      0.00000
    143       3.2073      0.00000
    144       3.2433      0.00000
    145       3.2821      0.00000
    146       3.2865      0.00000
    147       3.2985      0.00000
    148       3.3454      0.00000
    149       3.4244      0.00000
    150       3.4532      0.00000
    151       3.5589      0.00000
    152       3.6317      0.00000
    153       3.7366      0.00000
    154       3.7564      0.00000
    155       3.7716      0.00000
    156       3.8926      0.00000
    157       3.9558      0.00000
    158       4.0126      0.00000
    159       4.1308      0.00000
    160       4.2294      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3230      1.00000
      2     -21.9699      1.00000
      3     -21.8978      1.00000
      4     -21.3900      1.00000
      5     -21.3537      1.00000
      6     -20.8448      1.00000
      7     -20.7785      1.00000
      8     -20.6304      1.00000
      9     -20.0948      1.00000
     10     -20.0660      1.00000
     11     -19.7236      1.00000
     12     -19.6949      1.00000
     13     -19.0148      1.00000
     14     -18.9837      1.00000
     15     -18.6547      1.00000
     16     -18.6219      1.00000
     17     -18.4657      1.00000
     18     -17.6650      1.00000
     19     -17.6518      1.00000
     20     -17.6154      1.00000
     21     -17.5829      1.00000
     22     -17.1418      1.00000
     23     -17.1019      1.00000
     24     -16.9701      1.00000
     25     -16.0124      1.00000
     26     -15.9277      1.00000
     27     -15.6040      1.00000
     28     -15.5804      1.00000
     29     -15.2840      1.00000
     30     -14.8814      1.00000
     31     -14.8344      1.00000
     32     -14.5793      1.00000
     33     -14.5414      1.00000
     34     -14.1679      1.00000
     35     -14.1640      1.00000
     36     -13.1664      1.00000
     37     -13.1013      1.00000
     38     -13.0280      1.00000
     39     -13.0228      1.00000
     40     -12.7225      1.00000
     41     -12.6992      1.00000
     42     -12.3455      1.00000
     43     -12.3183      1.00000
     44     -11.6352      1.00000
     45     -11.6260      1.00000
     46     -11.5745      1.00000
     47     -10.9449      1.00000
     48     -10.9271      1.00000
     49     -10.6729      1.00000
     50     -10.5941      1.00000
     51     -10.5769      1.00000
     52     -10.5044      1.00000
     53     -10.4938      1.00000
     54     -10.4433      1.00000
     55     -10.3612      1.00000
     56     -10.1075      1.00000
     57      -9.9017      1.00000
     58      -9.6136      1.00000
     59      -9.5564      1.00000
     60      -9.4581      1.00000
     61      -9.4211      1.00000
     62      -9.4140      1.00000
     63      -9.3841      1.00000
     64      -9.3771      1.00000
     65      -9.2712      1.00000
     66      -9.1684      1.00000
     67      -9.1446      1.00000
     68      -9.1192      1.00000
     69      -8.8700      1.00000
     70      -8.8636      1.00000
     71      -8.8059      1.00000
     72      -8.6000      1.00000
     73      -8.5300      1.00000
     74      -8.1967      1.00000
     75      -8.1741      1.00000
     76      -8.0787      1.00000
     77      -7.8620      1.00000
     78      -7.8407      1.00000
     79      -7.8278      1.00000
     80      -7.7141      1.00000
     81      -7.6998      1.00000
     82      -7.6005      1.00000
     83      -7.5322      1.00000
     84      -7.3536      1.00000
     85      -7.1702      1.00000
     86      -6.9086      1.00000
     87      -6.8995      1.00000
     88      -6.5956      1.00000
     89      -6.5544      1.00000
     90      -6.4103      1.00000
     91      -6.3053      1.00000
     92      -6.2506      1.00000
     93      -6.2039      1.00000
     94      -6.0069      1.00000
     95      -5.5346      1.00000
     96      -5.4681      1.00000
     97      -5.3170      1.00000
     98      -5.2125      1.00000
     99      -5.0496      1.00000
    100      -4.7260      1.00000
    101      -4.6741      1.00000
    102      -4.4253      1.00000
    103      -4.1962      1.00000
    104      -3.8445      1.00000
    105      -3.6365      1.00000
    106      -3.4185      1.00000
    107      -2.2946      0.00000
    108      -1.5109      0.00000
    109      -1.2724      0.00000
    110      -1.2647      0.00000
    111      -1.0365      0.00000
    112      -0.9810      0.00000
    113      -0.8705      0.00000
    114      -0.8024      0.00000
    115      -0.2634      0.00000
    116       0.2024      0.00000
    117       0.2373      0.00000
    118       0.3576      0.00000
    119       0.6871      0.00000
    120       0.8916      0.00000
    121       0.9217      0.00000
    122       1.0377      0.00000
    123       1.1636      0.00000
    124       1.5070      0.00000
    125       1.5595      0.00000
    126       1.7097      0.00000
    127       1.7772      0.00000
    128       1.8358      0.00000
    129       1.9712      0.00000
    130       1.9872      0.00000
    131       2.1941      0.00000
    132       2.2613      0.00000
    133       2.4136      0.00000
    134       2.4967      0.00000
    135       2.5473      0.00000
    136       2.5991      0.00000
    137       2.6171      0.00000
    138       2.6963      0.00000
    139       2.7713      0.00000
    140       2.8674      0.00000
    141       3.0341      0.00000
    142       3.0912      0.00000
    143       3.2020      0.00000
    144       3.2650      0.00000
    145       3.2842      0.00000
    146       3.3139      0.00000
    147       3.3788      0.00000
    148       3.4578      0.00000
    149       3.5211      0.00000
    150       3.6905      0.00000
    151       3.7152      0.00000
    152       3.7573      0.00000
    153       3.8334      0.00000
    154       3.9031      0.00000
    155       3.9434      0.00000
    156       3.9835      0.00000
    157       4.0124      0.00000
    158       4.0544      0.00000
    159       4.0698      0.00000
    160       4.1020      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3952      1.00000
      2     -21.8363      1.00000
      3     -21.6469      1.00000
      4     -21.6119      1.00000
      5     -21.2842      1.00000
      6     -21.2372      1.00000
      7     -21.0620      1.00000
      8     -20.1768      1.00000
      9     -20.1306      1.00000
     10     -19.6216      1.00000
     11     -19.5959      1.00000
     12     -19.4210      1.00000
     13     -19.0995      1.00000
     14     -19.0609      1.00000
     15     -19.0564      1.00000
     16     -19.0441      1.00000
     17     -18.3713      1.00000
     18     -18.3520      1.00000
     19     -18.0217      1.00000
     20     -17.0770      1.00000
     21     -17.0283      1.00000
     22     -16.9541      1.00000
     23     -16.9404      1.00000
     24     -16.4791      1.00000
     25     -16.4668      1.00000
     26     -15.6138      1.00000
     27     -15.6132      1.00000
     28     -15.2540      1.00000
     29     -15.2424      1.00000
     30     -15.1968      1.00000
     31     -15.1064      1.00000
     32     -15.0739      1.00000
     33     -14.7022      1.00000
     34     -14.7017      1.00000
     35     -13.7291      1.00000
     36     -13.7287      1.00000
     37     -13.2404      1.00000
     38     -12.6285      1.00000
     39     -12.5849      1.00000
     40     -12.4599      1.00000
     41     -12.4547      1.00000
     42     -12.1084      1.00000
     43     -12.1039      1.00000
     44     -11.7251      1.00000
     45     -11.6865      1.00000
     46     -11.2489      1.00000
     47     -11.2288      1.00000
     48     -11.0225      1.00000
     49     -11.0111      1.00000
     50     -10.9315      1.00000
     51     -10.9028      1.00000
     52     -10.6405      1.00000
     53     -10.1773      1.00000
     54     -10.1543      1.00000
     55     -10.0898      1.00000
     56      -9.9957      1.00000
     57      -9.7006      1.00000
     58      -9.6938      1.00000
     59      -9.6742      1.00000
     60      -9.5948      1.00000
     61      -9.5704      1.00000
     62      -9.5575      1.00000
     63      -9.3173      1.00000
     64      -9.3050      1.00000
     65      -9.2871      1.00000
     66      -9.2459      1.00000
     67      -9.1260      1.00000
     68      -9.1174      1.00000
     69      -9.1154      1.00000
     70      -8.9432      1.00000
     71      -8.8780      1.00000
     72      -8.6081      1.00000
     73      -8.5889      1.00000
     74      -8.2734      1.00000
     75      -8.1062      1.00000
     76      -7.8702      1.00000
     77      -7.8470      1.00000
     78      -7.7932      1.00000
     79      -7.7685      1.00000
     80      -7.7604      1.00000
     81      -7.4490      1.00000
     82      -7.3391      1.00000
     83      -7.3282      1.00000
     84      -7.2695      1.00000
     85      -7.1655      1.00000
     86      -7.0173      1.00000
     87      -6.9896      1.00000
     88      -6.7209      1.00000
     89      -6.6935      1.00000
     90      -6.6348      1.00000
     91      -6.5935      1.00000
     92      -6.1226      1.00000
     93      -6.0616      1.00000
     94      -6.0477      1.00000
     95      -6.0311      1.00000
     96      -5.7508      1.00000
     97      -4.9769      1.00000
     98      -4.8423      1.00000
     99      -4.7118      1.00000
    100      -4.6760      1.00000
    101      -4.4853      1.00000
    102      -4.3538      1.00000
    103      -4.1144      1.00000
    104      -4.0577      1.00000
    105      -3.7568      1.00000
    106      -3.4672      1.00000
    107      -1.9518      0.00000
    108      -1.7735      0.00000
    109      -1.4820      0.00000
    110      -1.3579      0.00000
    111      -1.3386      0.00000
    112      -1.2957      0.00000
    113      -0.6813      0.00000
    114      -0.4739      0.00000
    115      -0.2372      0.00000
    116       0.0494      0.00000
    117       0.5836      0.00000
    118       0.6908      0.00000
    119       0.7679      0.00000
    120       1.0200      0.00000
    121       1.0945      0.00000
    122       1.1746      0.00000
    123       1.2479      0.00000
    124       1.3325      0.00000
    125       1.4310      0.00000
    126       1.5971      0.00000
    127       1.7764      0.00000
    128       1.8403      0.00000
    129       1.8613      0.00000
    130       1.8851      0.00000
    131       2.0506      0.00000
    132       2.2159      0.00000
    133       2.2295      0.00000
    134       2.2870      0.00000
    135       2.4827      0.00000
    136       2.6221      0.00000
    137       2.6659      0.00000
    138       2.7508      0.00000
    139       2.8158      0.00000
    140       2.8342      0.00000
    141       2.8479      0.00000
    142       2.9004      0.00000
    143       2.9689      0.00000
    144       3.0846      0.00000
    145       3.3286      0.00000
    146       3.3660      0.00000
    147       3.4276      0.00000
    148       3.4372      0.00000
    149       3.4395      0.00000
    150       3.6250      0.00000
    151       3.6737      0.00000
    152       3.6918      0.00000
    153       3.7382      0.00000
    154       3.9010      0.00000
    155       3.9360      0.00000
    156       3.9679      0.00000
    157       4.1165      0.00000
    158       4.2170      0.00000
    159       4.2788      0.00000
    160       4.2906      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2152      1.00000
      2     -22.1246      1.00000
      3     -21.9621      1.00000
      4     -21.4099      1.00000
      5     -21.0514      1.00000
      6     -21.0232      1.00000
      7     -20.5012      1.00000
      8     -20.4713      1.00000
      9     -20.2916      1.00000
     10     -20.2896      1.00000
     11     -19.9616      1.00000
     12     -19.8986      1.00000
     13     -18.8880      1.00000
     14     -18.8205      1.00000
     15     -18.3425      1.00000
     16     -18.3239      1.00000
     17     -18.1538      1.00000
     18     -18.1464      1.00000
     19     -17.8205      1.00000
     20     -17.8028      1.00000
     21     -17.2625      1.00000
     22     -17.2429      1.00000
     23     -17.1647      1.00000
     24     -17.1397      1.00000
     25     -16.1222      1.00000
     26     -15.8849      1.00000
     27     -15.8739      1.00000
     28     -15.8447      1.00000
     29     -15.2350      1.00000
     30     -14.5548      1.00000
     31     -14.5364      1.00000
     32     -14.2796      1.00000
     33     -13.9798      1.00000
     34     -13.9563      1.00000
     35     -13.8296      1.00000
     36     -13.8070      1.00000
     37     -13.6079      1.00000
     38     -13.5829      1.00000
     39     -13.3758      1.00000
     40     -12.6443      1.00000
     41     -12.1724      1.00000
     42     -12.1463      1.00000
     43     -12.0720      1.00000
     44     -12.0254      1.00000
     45     -11.6700      1.00000
     46     -11.6652      1.00000
     47     -11.1402      1.00000
     48     -11.1291      1.00000
     49     -10.7935      1.00000
     50     -10.7376      1.00000
     51     -10.5387      1.00000
     52     -10.2134      1.00000
     53     -10.2071      1.00000
     54     -10.1744      1.00000
     55     -10.0274      1.00000
     56      -9.9983      1.00000
     57      -9.9951      1.00000
     58      -9.8097      1.00000
     59      -9.8009      1.00000
     60      -9.7688      1.00000
     61      -9.7605      1.00000
     62      -9.4573      1.00000
     63      -9.4208      1.00000
     64      -9.0893      1.00000
     65      -9.0506      1.00000
     66      -9.0292      1.00000
     67      -8.9724      1.00000
     68      -8.9012      1.00000
     69      -8.7130      1.00000
     70      -8.7035      1.00000
     71      -8.5628      1.00000
     72      -8.5520      1.00000
     73      -8.4811      1.00000
     74      -8.4636      1.00000
     75      -8.4606      1.00000
     76      -8.3113      1.00000
     77      -8.0984      1.00000
     78      -8.0926      1.00000
     79      -7.9313      1.00000
     80      -7.8353      1.00000
     81      -7.6042      1.00000
     82      -7.5393      1.00000
     83      -7.4462      1.00000
     84      -7.3155      1.00000
     85      -6.9988      1.00000
     86      -6.9239      1.00000
     87      -6.8872      1.00000
     88      -6.5301      1.00000
     89      -6.5176      1.00000
     90      -6.4836      1.00000
     91      -6.4236      1.00000
     92      -5.9302      1.00000
     93      -5.9079      1.00000
     94      -5.7916      1.00000
     95      -5.7780      1.00000
     96      -5.3719      1.00000
     97      -5.3661      1.00000
     98      -5.2230      1.00000
     99      -5.2182      1.00000
    100      -5.2019      1.00000
    101      -4.7227      1.00000
    102      -4.4436      1.00000
    103      -4.1924      1.00000
    104      -3.8219      1.00000
    105      -3.5670      1.00000
    106      -3.2243      1.00000
    107      -2.5646      0.00000
    108      -1.4646      0.00000
    109      -1.2706      0.00000
    110      -1.1873      0.00000
    111      -1.1858      0.00000
    112      -0.6467      0.00000
    113      -0.5540      0.00000
    114      -0.4168      0.00000
    115      -0.3496      0.00000
    116      -0.0802      0.00000
    117      -0.0662      0.00000
    118       0.1234      0.00000
    119       0.5912      0.00000
    120       0.6244      0.00000
    121       0.8515      0.00000
    122       0.9818      0.00000
    123       1.0002      0.00000
    124       1.4918      0.00000
    125       1.6842      0.00000
    126       1.7645      0.00000
    127       1.8606      0.00000
    128       2.1135      0.00000
    129       2.1767      0.00000
    130       2.1987      0.00000
    131       2.2086      0.00000
    132       2.2605      0.00000
    133       2.3687      0.00000
    134       2.4910      0.00000
    135       2.5279      0.00000
    136       2.6657      0.00000
    137       2.8503      0.00000
    138       2.8575      0.00000
    139       2.9543      0.00000
    140       3.0312      0.00000
    141       3.0539      0.00000
    142       3.1333      0.00000
    143       3.2213      0.00000
    144       3.2438      0.00000
    145       3.2659      0.00000
    146       3.2872      0.00000
    147       3.3015      0.00000
    148       3.3530      0.00000
    149       3.4282      0.00000
    150       3.5537      0.00000
    151       3.5686      0.00000
    152       3.6455      0.00000
    153       3.6726      0.00000
    154       3.7321      0.00000
    155       3.7529      0.00000
    156       3.8945      0.00000
    157       3.9776      0.00000
    158       4.0440      0.00000
    159       4.0753      0.00000
    160       4.1874      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2888      1.00000
      2     -22.0842      1.00000
      3     -21.7257      1.00000
      4     -21.6865      1.00000
      5     -20.9881      1.00000
      6     -20.9404      1.00000
      7     -20.6168      1.00000
      8     -20.5845      1.00000
      9     -20.5709      1.00000
     10     -20.0376      1.00000
     11     -19.5180      1.00000
     12     -19.4884      1.00000
     13     -19.3160      1.00000
     14     -19.3034      1.00000
     15     -18.4547      1.00000
     16     -18.4116      1.00000
     17     -17.9321      1.00000
     18     -17.9120      1.00000
     19     -17.7708      1.00000
     20     -17.7260      1.00000
     21     -17.4460      1.00000
     22     -17.4279      1.00000
     23     -17.3429      1.00000
     24     -16.4752      1.00000
     25     -16.4645      1.00000
     26     -15.9762      1.00000
     27     -15.4151      1.00000
     28     -15.4143      1.00000
     29     -15.1001      1.00000
     30     -15.0969      1.00000
     31     -14.8569      1.00000
     32     -14.8452      1.00000
     33     -14.3026      1.00000
     34     -14.2593      1.00000
     35     -13.4488      1.00000
     36     -13.4054      1.00000
     37     -13.1788      1.00000
     38     -13.1778      1.00000
     39     -12.9910      1.00000
     40     -12.9823      1.00000
     41     -12.6142      1.00000
     42     -12.6126      1.00000
     43     -12.2019      1.00000
     44     -11.5830      1.00000
     45     -11.5419      1.00000
     46     -11.3171      1.00000
     47     -11.2867      1.00000
     48     -11.1470      1.00000
     49     -10.6956      1.00000
     50     -10.6669      1.00000
     51     -10.5504      1.00000
     52     -10.3271      1.00000
     53     -10.3196      1.00000
     54     -10.1794      1.00000
     55     -10.1249      1.00000
     56     -10.1113      1.00000
     57      -9.8154      1.00000
     58      -9.7573      1.00000
     59      -9.7566      1.00000
     60      -9.7073      1.00000
     61      -9.7030      1.00000
     62      -9.6505      1.00000
     63      -9.3575      1.00000
     64      -9.3559      1.00000
     65      -9.3208      1.00000
     66      -9.0310      1.00000
     67      -8.9660      1.00000
     68      -8.9620      1.00000
     69      -8.7790      1.00000
     70      -8.5944      1.00000
     71      -8.5912      1.00000
     72      -8.4270      1.00000
     73      -8.3531      1.00000
     74      -8.3259      1.00000
     75      -8.3060      1.00000
     76      -8.2693      1.00000
     77      -8.2569      1.00000
     78      -8.2425      1.00000
     79      -7.9242      1.00000
     80      -7.7364      1.00000
     81      -7.3842      1.00000
     82      -7.3553      1.00000
     83      -7.3254      1.00000
     84      -7.2220      1.00000
     85      -7.1635      1.00000
     86      -7.0681      1.00000
     87      -6.9641      1.00000
     88      -6.9081      1.00000
     89      -6.6156      1.00000
     90      -6.5617      1.00000
     91      -6.2732      1.00000
     92      -5.9995      1.00000
     93      -5.9623      1.00000
     94      -5.6781      1.00000
     95      -5.6516      1.00000
     96      -5.3901      1.00000
     97      -5.3177      1.00000
     98      -5.2968      1.00000
     99      -5.2150      1.00000
    100      -5.2034      1.00000
    101      -4.5127      1.00000
    102      -4.3401      1.00000
    103      -3.9990      1.00000
    104      -3.8881      1.00000
    105      -3.7947      1.00000
    106      -3.4452      1.00000
    107      -2.0358      0.00000
    108      -1.8659      0.00000
    109      -1.2195      0.00000
    110      -1.1875      0.00000
    111      -1.0378      0.00000
    112      -0.7742      0.00000
    113      -0.6798      0.00000
    114      -0.6620      0.00000
    115      -0.6124      0.00000
    116      -0.1038      0.00000
    117       0.2198      0.00000
    118       0.2371      0.00000
    119       0.7657      0.00000
    120       0.9804      0.00000
    121       1.0722      0.00000
    122       1.2390      0.00000
    123       1.2492      0.00000
    124       1.3385      0.00000
    125       1.5763      0.00000
    126       1.5835      0.00000
    127       1.7010      0.00000
    128       1.8030      0.00000
    129       1.9427      0.00000
    130       1.9612      0.00000
    131       2.1088      0.00000
    132       2.3108      0.00000
    133       2.3459      0.00000
    134       2.4142      0.00000
    135       2.5440      0.00000
    136       2.6307      0.00000
    137       2.7958      0.00000
    138       2.8412      0.00000
    139       2.8567      0.00000
    140       2.8795      0.00000
    141       3.0622      0.00000
    142       3.0995      0.00000
    143       3.1502      0.00000
    144       3.2301      0.00000
    145       3.3769      0.00000
    146       3.4182      0.00000
    147       3.5106      0.00000
    148       3.5633      0.00000
    149       3.5902      0.00000
    150       3.6219      0.00000
    151       3.6591      0.00000
    152       3.7358      0.00000
    153       3.7454      0.00000
    154       3.7942      0.00000
    155       3.8457      0.00000
    156       3.8890      0.00000
    157       4.0314      0.00000
    158       4.0885      0.00000
    159       4.1725      0.00000
    160       4.2168      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4319      1.00000
      2     -21.6085      1.00000
      3     -21.4869      1.00000
      4     -21.4778      1.00000
      5     -21.4462      1.00000
      6     -21.4454      1.00000
      7     -21.4354      1.00000
      8     -19.7125      1.00000
      9     -19.6578      1.00000
     10     -19.6345      1.00000
     11     -19.6232      1.00000
     12     -19.6178      1.00000
     13     -19.6174      1.00000
     14     -18.7943      1.00000
     15     -18.7597      1.00000
     16     -18.7399      1.00000
     17     -18.7303      1.00000
     18     -18.7234      1.00000
     19     -18.7174      1.00000
     20     -16.6393      1.00000
     21     -16.6135      1.00000
     22     -16.5888      1.00000
     23     -16.5852      1.00000
     24     -16.5586      1.00000
     25     -16.5567      1.00000
     26     -15.6197      1.00000
     27     -15.6060      1.00000
     28     -15.6031      1.00000
     29     -15.5695      1.00000
     30     -15.5676      1.00000
     31     -15.5676      1.00000
     32     -14.2645      1.00000
     33     -14.2553      1.00000
     34     -14.2445      1.00000
     35     -14.2395      1.00000
     36     -14.2272      1.00000
     37     -14.2240      1.00000
     38     -11.9095      1.00000
     39     -11.8824      1.00000
     40     -11.8708      1.00000
     41     -11.8700      1.00000
     42     -11.8490      1.00000
     43     -11.8489      1.00000
     44     -11.7758      1.00000
     45     -11.7725      1.00000
     46     -11.7408      1.00000
     47     -11.7337      1.00000
     48     -11.7286      1.00000
     49     -11.7271      1.00000
     50     -10.6795      1.00000
     51     -10.3934      1.00000
     52     -10.3876      1.00000
     53     -10.3809      1.00000
     54     -10.3738      1.00000
     55     -10.3596      1.00000
     56     -10.3578      1.00000
     57      -9.9071      1.00000
     58      -9.4540      1.00000
     59      -9.4092      1.00000
     60      -9.3662      1.00000
     61      -9.3656      1.00000
     62      -9.3578      1.00000
     63      -9.1466      1.00000
     64      -9.1253      1.00000
     65      -9.1245      1.00000
     66      -9.0879      1.00000
     67      -9.0761      1.00000
     68      -9.0761      1.00000
     69      -9.0758      1.00000
     70      -9.0676      1.00000
     71      -9.0675      1.00000
     72      -9.0423      1.00000
     73      -9.0331      1.00000
     74      -9.0289      1.00000
     75      -8.1320      1.00000
     76      -7.7470      1.00000
     77      -7.4715      1.00000
     78      -7.4707      1.00000
     79      -7.4577      1.00000
     80      -7.4375      1.00000
     81      -7.4286      1.00000
     82      -7.4109      1.00000
     83      -7.3161      1.00000
     84      -7.2740      1.00000
     85      -7.2604      1.00000
     86      -7.2523      1.00000
     87      -7.1534      1.00000
     88      -7.0520      1.00000
     89      -6.4490      1.00000
     90      -6.4191      1.00000
     91      -6.4035      1.00000
     92      -6.3668      1.00000
     93      -6.3558      1.00000
     94      -6.3435      1.00000
     95      -5.9634      1.00000
     96      -5.9603      1.00000
     97      -4.8081      1.00000
     98      -4.5466      1.00000
     99      -4.4840      1.00000
    100      -4.4765      1.00000
    101      -4.3849      1.00000
    102      -4.3843      1.00000
    103      -4.2699      1.00000
    104      -4.1889      1.00000
    105      -3.7411      1.00000
    106      -3.4792      1.00000
    107      -1.8629      0.00000
    108      -1.6733      0.00000
    109      -1.6270      0.00000
    110      -1.5939      0.00000
    111      -1.5784      0.00000
    112      -1.5774      0.00000
    113      -0.4303      0.00000
    114       0.1427      0.00000
    115       0.1904      0.00000
    116       0.2539      0.00000
    117       0.2648      0.00000
    118       0.2691      0.00000
    119       0.4746      0.00000
    120       0.5440      0.00000
    121       1.2476      0.00000
    122       1.2881      0.00000
    123       1.5358      0.00000
    124       1.7680      0.00000
    125       1.7708      0.00000
    126       1.7711      0.00000
    127       1.8213      0.00000
    128       1.8275      0.00000
    129       1.9572      0.00000
    130       1.9669      0.00000
    131       1.9720      0.00000
    132       1.9870      0.00000
    133       1.9942      0.00000
    134       2.0751      0.00000
    135       2.2466      0.00000
    136       2.3507      0.00000
    137       2.6085      0.00000
    138       2.6113      0.00000
    139       2.6370      0.00000
    140       2.7299      0.00000
    141       2.9392      0.00000
    142       3.0708      0.00000
    143       3.0900      0.00000
    144       3.1215      0.00000
    145       3.1287      0.00000
    146       3.1331      0.00000
    147       3.1376      0.00000
    148       3.2840      0.00000
    149       3.4659      0.00000
    150       3.5144      0.00000
    151       3.8393      0.00000
    152       3.9719      0.00000
    153       3.9881      0.00000
    154       3.9912      0.00000
    155       3.9995      0.00000
    156       4.0043      0.00000
    157       4.2002      0.00000
    158       4.2616      0.00000
    159       4.2829      0.00000
    160       4.2848      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3952      1.00000
      2     -21.8360      1.00000
      3     -21.6437      1.00000
      4     -21.6159      1.00000
      5     -21.2801      1.00000
      6     -21.2407      1.00000
      7     -21.0622      1.00000
      8     -20.1729      1.00000
      9     -20.1346      1.00000
     10     -19.6137      1.00000
     11     -19.6028      1.00000
     12     -19.4221      1.00000
     13     -19.0947      1.00000
     14     -19.0648      1.00000
     15     -19.0538      1.00000
     16     -19.0467      1.00000
     17     -18.3654      1.00000
     18     -18.3573      1.00000
     19     -18.0237      1.00000
     20     -17.0736      1.00000
     21     -17.0348      1.00000
     22     -16.9481      1.00000
     23     -16.9446      1.00000
     24     -16.4724      1.00000
     25     -16.4677      1.00000
     26     -15.6195      1.00000
     27     -15.6119      1.00000
     28     -15.2574      1.00000
     29     -15.2481      1.00000
     30     -15.1891      1.00000
     31     -15.1020      1.00000
     32     -15.0756      1.00000
     33     -14.7034      1.00000
     34     -14.7012      1.00000
     35     -13.7310      1.00000
     36     -13.7285      1.00000
     37     -13.2397      1.00000
     38     -12.6178      1.00000
     39     -12.5880      1.00000
     40     -12.4587      1.00000
     41     -12.4553      1.00000
     42     -12.1133      1.00000
     43     -12.1092      1.00000
     44     -11.7223      1.00000
     45     -11.6914      1.00000
     46     -11.2393      1.00000
     47     -11.2296      1.00000
     48     -11.0219      1.00000
     49     -11.0139      1.00000
     50     -10.9316      1.00000
     51     -10.9099      1.00000
     52     -10.6346      1.00000
     53     -10.1588      1.00000
     54     -10.1551      1.00000
     55     -10.0952      1.00000
     56     -10.0019      1.00000
     57      -9.7076      1.00000
     58      -9.6986      1.00000
     59      -9.6600      1.00000
     60      -9.5952      1.00000
     61      -9.5816      1.00000
     62      -9.5622      1.00000
     63      -9.3111      1.00000
     64      -9.3071      1.00000
     65      -9.2779      1.00000
     66      -9.2413      1.00000
     67      -9.1404      1.00000
     68      -9.1184      1.00000
     69      -9.1159      1.00000
     70      -8.9433      1.00000
     71      -8.8769      1.00000
     72      -8.6089      1.00000
     73      -8.5946      1.00000
     74      -8.2390      1.00000
     75      -8.1035      1.00000
     76      -7.9160      1.00000
     77      -7.8683      1.00000
     78      -7.7750      1.00000
     79      -7.7608      1.00000
     80      -7.6948      1.00000
     81      -7.5626      1.00000
     82      -7.3419      1.00000
     83      -7.3266      1.00000
     84      -7.2075      1.00000
     85      -7.1265      1.00000
     86      -7.0351      1.00000
     87      -7.0168      1.00000
     88      -6.7075      1.00000
     89      -6.6813      1.00000
     90      -6.6443      1.00000
     91      -6.6005      1.00000
     92      -6.1187      1.00000
     93      -6.0657      1.00000
     94      -6.0350      1.00000
     95      -6.0144      1.00000
     96      -5.7863      1.00000
     97      -4.9767      1.00000
     98      -4.8347      1.00000
     99      -4.7498      1.00000
    100      -4.6820      1.00000
    101      -4.4703      1.00000
    102      -4.2050      1.00000
    103      -4.1742      1.00000
    104      -4.1304      1.00000
    105      -3.7314      1.00000
    106      -3.4894      1.00000
    107      -1.8722      0.00000
    108      -1.8117      0.00000
    109      -1.5262      0.00000
    110      -1.3806      0.00000
    111      -1.3235      0.00000
    112      -1.2905      0.00000
    113      -0.7217      0.00000
    114      -0.3778      0.00000
    115      -0.2528      0.00000
    116       0.0348      0.00000
    117       0.5522      0.00000
    118       0.6955      0.00000
    119       0.7442      0.00000
    120       1.0458      0.00000
    121       1.0981      0.00000
    122       1.1474      0.00000
    123       1.2256      0.00000
    124       1.3764      0.00000
    125       1.5211      0.00000
    126       1.5809      0.00000
    127       1.7143      0.00000
    128       1.8272      0.00000
    129       1.8596      0.00000
    130       1.8797      0.00000
    131       2.0969      0.00000
    132       2.1840      0.00000
    133       2.2404      0.00000
    134       2.3082      0.00000
    135       2.5157      0.00000
    136       2.5896      0.00000
    137       2.6682      0.00000
    138       2.7802      0.00000
    139       2.8057      0.00000
    140       2.8327      0.00000
    141       2.8861      0.00000
    142       2.9066      0.00000
    143       2.9621      0.00000
    144       3.0819      0.00000
    145       3.1563      0.00000
    146       3.3334      0.00000
    147       3.4108      0.00000
    148       3.4521      0.00000
    149       3.4807      0.00000
    150       3.6331      0.00000
    151       3.6591      0.00000
    152       3.6924      0.00000
    153       3.7319      0.00000
    154       3.9259      0.00000
    155       3.9710      0.00000
    156       4.0207      0.00000
    157       4.0766      0.00000
    158       4.2550      0.00000
    159       4.2656      0.00000
    160       4.2867      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2891      1.00000
      2     -22.0835      1.00000
      3     -21.7222      1.00000
      4     -21.6903      1.00000
      5     -20.9848      1.00000
      6     -20.9442      1.00000
      7     -20.6171      1.00000
      8     -20.5806      1.00000
      9     -20.5741      1.00000
     10     -20.0378      1.00000
     11     -19.5085      1.00000
     12     -19.4969      1.00000
     13     -19.3118      1.00000
     14     -19.3070      1.00000
     15     -18.4525      1.00000
     16     -18.4158      1.00000
     17     -17.9268      1.00000
     18     -17.9179      1.00000
     19     -17.7662      1.00000
     20     -17.7305      1.00000
     21     -17.4403      1.00000
     22     -17.4333      1.00000
     23     -17.3453      1.00000
     24     -16.4674      1.00000
     25     -16.4662      1.00000
     26     -15.9716      1.00000
     27     -15.4196      1.00000
     28     -15.4135      1.00000
     29     -15.1017      1.00000
     30     -15.0978      1.00000
     31     -14.8592      1.00000
     32     -14.8518      1.00000
     33     -14.2941      1.00000
     34     -14.2617      1.00000
     35     -13.4403      1.00000
     36     -13.4083      1.00000
     37     -13.1818      1.00000
     38     -13.1787      1.00000
     39     -12.9866      1.00000
     40     -12.9818      1.00000
     41     -12.6171      1.00000
     42     -12.6145      1.00000
     43     -12.2015      1.00000
     44     -11.5816      1.00000
     45     -11.5478      1.00000
     46     -11.3157      1.00000
     47     -11.2928      1.00000
     48     -11.1455      1.00000
     49     -10.6809      1.00000
     50     -10.6638      1.00000
     51     -10.5566      1.00000
     52     -10.3270      1.00000
     53     -10.3222      1.00000
     54     -10.1732      1.00000
     55     -10.1195      1.00000
     56     -10.1166      1.00000
     57      -9.8020      1.00000
     58      -9.7680      1.00000
     59      -9.7565      1.00000
     60      -9.7047      1.00000
     61      -9.7003      1.00000
     62      -9.6659      1.00000
     63      -9.3575      1.00000
     64      -9.3562      1.00000
     65      -9.3203      1.00000
     66      -9.0444      1.00000
     67      -8.9654      1.00000
     68      -8.9541      1.00000
     69      -8.8030      1.00000
     70      -8.5993      1.00000
     71      -8.5612      1.00000
     72      -8.4018      1.00000
     73      -8.3683      1.00000
     74      -8.3287      1.00000
     75      -8.3107      1.00000
     76      -8.2633      1.00000
     77      -8.2608      1.00000
     78      -8.2408      1.00000
     79      -7.9077      1.00000
     80      -7.6532      1.00000
     81      -7.5512      1.00000
     82      -7.3894      1.00000
     83      -7.3531      1.00000
     84      -7.2339      1.00000
     85      -7.0995      1.00000
     86      -7.0421      1.00000
     87      -6.9370      1.00000
     88      -6.8509      1.00000
     89      -6.6170      1.00000
     90      -6.5617      1.00000
     91      -6.2740      1.00000
     92      -6.0467      1.00000
     93      -5.9545      1.00000
     94      -5.6656      1.00000
     95      -5.6255      1.00000
     96      -5.4659      1.00000
     97      -5.3228      1.00000
     98      -5.2818      1.00000
     99      -5.2168      1.00000
    100      -5.1966      1.00000
    101      -4.5095      1.00000
    102      -4.2090      1.00000
    103      -4.0612      1.00000
    104      -3.9918      1.00000
    105      -3.6962      1.00000
    106      -3.4996      1.00000
    107      -1.9487      0.00000
    108      -1.8988      0.00000
    109      -1.3406      0.00000
    110      -1.0870      0.00000
    111      -1.0612      0.00000
    112      -0.8022      0.00000
    113      -0.6805      0.00000
    114      -0.6488      0.00000
    115      -0.6096      0.00000
    116      -0.1099      0.00000
    117       0.2132      0.00000
    118       0.3269      0.00000
    119       0.6908      0.00000
    120       0.8842      0.00000
    121       1.1247      0.00000
    122       1.1968      0.00000
    123       1.3238      0.00000
    124       1.4178      0.00000
    125       1.5517      0.00000
    126       1.5742      0.00000
    127       1.6774      0.00000
    128       1.8116      0.00000
    129       1.8867      0.00000
    130       2.0568      0.00000
    131       2.1451      0.00000
    132       2.3363      0.00000
    133       2.3685      0.00000
    134       2.3945      0.00000
    135       2.5464      0.00000
    136       2.6326      0.00000
    137       2.7296      0.00000
    138       2.7867      0.00000
    139       2.8533      0.00000
    140       2.8931      0.00000
    141       3.0486      0.00000
    142       3.0710      0.00000
    143       3.1671      0.00000
    144       3.2689      0.00000
    145       3.3614      0.00000
    146       3.4179      0.00000
    147       3.4408      0.00000
    148       3.5726      0.00000
    149       3.5940      0.00000
    150       3.6150      0.00000
    151       3.6632      0.00000
    152       3.6788      0.00000
    153       3.7843      0.00000
    154       3.8151      0.00000
    155       3.8361      0.00000
    156       3.9061      0.00000
    157       3.9235      0.00000
    158       4.0056      0.00000
    159       4.2202      0.00000
    160       4.2356      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3231      1.00000
      2     -21.9684      1.00000
      3     -21.8993      1.00000
      4     -21.3864      1.00000
      5     -21.3572      1.00000
      6     -20.8450      1.00000
      7     -20.7797      1.00000
      8     -20.6293      1.00000
      9     -20.0831      1.00000
     10     -20.0772      1.00000
     11     -19.7219      1.00000
     12     -19.6975      1.00000
     13     -19.0017      1.00000
     14     -18.9955      1.00000
     15     -18.6459      1.00000
     16     -18.6299      1.00000
     17     -18.4668      1.00000
     18     -17.6798      1.00000
     19     -17.6294      1.00000
     20     -17.6265      1.00000
     21     -17.5847      1.00000
     22     -17.1312      1.00000
     23     -17.1099      1.00000
     24     -16.9666      1.00000
     25     -16.0060      1.00000
     26     -15.9352      1.00000
     27     -15.5904      1.00000
     28     -15.5899      1.00000
     29     -15.2919      1.00000
     30     -14.8684      1.00000
     31     -14.8414      1.00000
     32     -14.5830      1.00000
     33     -14.5411      1.00000
     34     -14.1740      1.00000
     35     -14.1602      1.00000
     36     -13.1517      1.00000
     37     -13.1049      1.00000
     38     -13.0337      1.00000
     39     -13.0235      1.00000
     40     -12.7130      1.00000
     41     -12.7087      1.00000
     42     -12.3466      1.00000
     43     -12.3154      1.00000
     44     -11.6408      1.00000
     45     -11.6273      1.00000
     46     -11.5775      1.00000
     47     -10.9545      1.00000
     48     -10.9213      1.00000
     49     -10.6359      1.00000
     50     -10.6279      1.00000
     51     -10.5510      1.00000
     52     -10.5046      1.00000
     53     -10.5041      1.00000
     54     -10.4428      1.00000
     55     -10.3637      1.00000
     56     -10.1032      1.00000
     57      -9.9075      1.00000
     58      -9.6115      1.00000
     59      -9.5595      1.00000
     60      -9.4565      1.00000
     61      -9.4169      1.00000
     62      -9.4095      1.00000
     63      -9.3807      1.00000
     64      -9.3802      1.00000
     65      -9.2911      1.00000
     66      -9.1734      1.00000
     67      -9.1479      1.00000
     68      -9.1199      1.00000
     69      -8.8695      1.00000
     70      -8.8620      1.00000
     71      -8.8187      1.00000
     72      -8.6006      1.00000
     73      -8.4835      1.00000
     74      -8.2034      1.00000
     75      -8.1679      1.00000
     76      -8.0120      1.00000
     77      -7.9660      1.00000
     78      -7.8532      1.00000
     79      -7.8436      1.00000
     80      -7.7077      1.00000
     81      -7.7003      1.00000
     82      -7.6252      1.00000
     83      -7.4516      1.00000
     84      -7.3036      1.00000
     85      -7.2553      1.00000
     86      -6.9104      1.00000
     87      -6.8967      1.00000
     88      -6.5920      1.00000
     89      -6.5543      1.00000
     90      -6.4085      1.00000
     91      -6.2565      1.00000
     92      -6.2357      1.00000
     93      -6.2103      1.00000
     94      -6.0260      1.00000
     95      -5.5530      1.00000
     96      -5.4918      1.00000
     97      -5.3531      1.00000
     98      -5.2226      1.00000
     99      -4.9821      1.00000
    100      -4.7348      1.00000
    101      -4.6806      1.00000
    102      -4.3891      1.00000
    103      -4.2044      1.00000
    104      -3.8726      1.00000
    105      -3.5486      1.00000
    106      -3.5115      1.00000
    107      -2.2593      0.00000
    108      -1.4578      0.00000
    109      -1.3744      0.00000
    110      -1.2444      0.00000
    111      -1.1000      0.00000
    112      -0.9470      0.00000
    113      -0.8657      0.00000
    114      -0.8053      0.00000
    115      -0.1411      0.00000
    116       0.1079      0.00000
    117       0.2381      0.00000
    118       0.3753      0.00000
    119       0.6482      0.00000
    120       0.8337      0.00000
    121       0.9344      0.00000
    122       1.0608      0.00000
    123       1.2298      0.00000
    124       1.4460      0.00000
    125       1.5501      0.00000
    126       1.7645      0.00000
    127       1.7932      0.00000
    128       1.8832      0.00000
    129       1.9671      0.00000
    130       2.0505      0.00000
    131       2.1736      0.00000
    132       2.2021      0.00000
    133       2.4121      0.00000
    134       2.4905      0.00000
    135       2.5457      0.00000
    136       2.6019      0.00000
    137       2.6401      0.00000
    138       2.6928      0.00000
    139       2.7914      0.00000
    140       2.8377      0.00000
    141       2.9497      0.00000
    142       3.0938      0.00000
    143       3.2020      0.00000
    144       3.2350      0.00000
    145       3.2810      0.00000
    146       3.3396      0.00000
    147       3.3587      0.00000
    148       3.4747      0.00000
    149       3.4985      0.00000
    150       3.6987      0.00000
    151       3.7116      0.00000
    152       3.7337      0.00000
    153       3.8562      0.00000
    154       3.9240      0.00000
    155       3.9604      0.00000
    156       3.9804      0.00000
    157       4.0336      0.00000
    158       4.0383      0.00000
    159       4.0577      0.00000
    160       4.0966      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2160      1.00000
      2     -22.1232      1.00000
      3     -21.9625      1.00000
      4     -21.4100      1.00000
      5     -21.0552      1.00000
      6     -21.0194      1.00000
      7     -20.5060      1.00000
      8     -20.4667      1.00000
      9     -20.3003      1.00000
     10     -20.2808      1.00000
     11     -19.9628      1.00000
     12     -19.8972      1.00000
     13     -18.8876      1.00000
     14     -18.8190      1.00000
     15     -18.3577      1.00000
     16     -18.3115      1.00000
     17     -18.1580      1.00000
     18     -18.1408      1.00000
     19     -17.8315      1.00000
     20     -17.7939      1.00000
     21     -17.2563      1.00000
     22     -17.2464      1.00000
     23     -17.1693      1.00000
     24     -17.1377      1.00000
     25     -16.1148      1.00000
     26     -15.8909      1.00000
     27     -15.8751      1.00000
     28     -15.8390      1.00000
     29     -15.2409      1.00000
     30     -14.5600      1.00000
     31     -14.5321      1.00000
     32     -14.2846      1.00000
     33     -13.9679      1.00000
     34     -13.9605      1.00000
     35     -13.8244      1.00000
     36     -13.8087      1.00000
     37     -13.6193      1.00000
     38     -13.5755      1.00000
     39     -13.3753      1.00000
     40     -12.6394      1.00000
     41     -12.1855      1.00000
     42     -12.1374      1.00000
     43     -12.0774      1.00000
     44     -12.0251      1.00000
     45     -11.6734      1.00000
     46     -11.6599      1.00000
     47     -11.1434      1.00000
     48     -11.1227      1.00000
     49     -10.7998      1.00000
     50     -10.7362      1.00000
     51     -10.5321      1.00000
     52     -10.2120      1.00000
     53     -10.2107      1.00000
     54     -10.1687      1.00000
     55     -10.0219      1.00000
     56     -10.0081      1.00000
     57      -9.9950      1.00000
     58      -9.8058      1.00000
     59      -9.8013      1.00000
     60      -9.7665      1.00000
     61      -9.7613      1.00000
     62      -9.4595      1.00000
     63      -9.4211      1.00000
     64      -9.0843      1.00000
     65      -9.0761      1.00000
     66      -9.0449      1.00000
     67      -8.9597      1.00000
     68      -8.8810      1.00000
     69      -8.7162      1.00000
     70      -8.7038      1.00000
     71      -8.5705      1.00000
     72      -8.5479      1.00000
     73      -8.5030      1.00000
     74      -8.4662      1.00000
     75      -8.4580      1.00000
     76      -8.2637      1.00000
     77      -8.1288      1.00000
     78      -8.0468      1.00000
     79      -7.9193      1.00000
     80      -7.8661      1.00000
     81      -7.6179      1.00000
     82      -7.5523      1.00000
     83      -7.4930      1.00000
     84      -7.2698      1.00000
     85      -6.9983      1.00000
     86      -6.9265      1.00000
     87      -6.8853      1.00000
     88      -6.5368      1.00000
     89      -6.4914      1.00000
     90      -6.4644      1.00000
     91      -6.4134      1.00000
     92      -5.9867      1.00000
     93      -5.9004      1.00000
     94      -5.7876      1.00000
     95      -5.7626      1.00000
     96      -5.4349      1.00000
     97      -5.3320      1.00000
     98      -5.2333      1.00000
     99      -5.2206      1.00000
    100      -5.1911      1.00000
    101      -4.6945      1.00000
    102      -4.4229      1.00000
    103      -4.2108      1.00000
    104      -3.8357      1.00000
    105      -3.5306      1.00000
    106      -3.2766      1.00000
    107      -2.5338      0.00000
    108      -1.4595      0.00000
    109      -1.2695      0.00000
    110      -1.2053      0.00000
    111      -1.1751      0.00000
    112      -0.7213      0.00000
    113      -0.5058      0.00000
    114      -0.4141      0.00000
    115      -0.3423      0.00000
    116      -0.1480      0.00000
    117      -0.0049      0.00000
    118       0.1916      0.00000
    119       0.5585      0.00000
    120       0.6103      0.00000
    121       0.7932      0.00000
    122       0.9030      0.00000
    123       1.1289      0.00000
    124       1.4910      0.00000
    125       1.6349      0.00000
    126       1.8525      0.00000
    127       1.9275      0.00000
    128       2.1051      0.00000
    129       2.1145      0.00000
    130       2.1822      0.00000
    131       2.1990      0.00000
    132       2.2778      0.00000
    133       2.3553      0.00000
    134       2.4799      0.00000
    135       2.5856      0.00000
    136       2.6586      0.00000
    137       2.8536      0.00000
    138       2.8701      0.00000
    139       2.8928      0.00000
    140       3.0377      0.00000
    141       3.0454      0.00000
    142       3.1388      0.00000
    143       3.2073      0.00000
    144       3.2434      0.00000
    145       3.2821      0.00000
    146       3.2865      0.00000
    147       3.2985      0.00000
    148       3.3454      0.00000
    149       3.4244      0.00000
    150       3.4532      0.00000
    151       3.5589      0.00000
    152       3.6317      0.00000
    153       3.7366      0.00000
    154       3.7565      0.00000
    155       3.7716      0.00000
    156       3.8926      0.00000
    157       3.9558      0.00000
    158       4.0126      0.00000
    159       4.1308      0.00000
    160       4.2294      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3230      1.00000
      2     -21.9699      1.00000
      3     -21.8978      1.00000
      4     -21.3900      1.00000
      5     -21.3537      1.00000
      6     -20.8448      1.00000
      7     -20.7785      1.00000
      8     -20.6304      1.00000
      9     -20.0948      1.00000
     10     -20.0660      1.00000
     11     -19.7236      1.00000
     12     -19.6949      1.00000
     13     -19.0148      1.00000
     14     -18.9837      1.00000
     15     -18.6547      1.00000
     16     -18.6219      1.00000
     17     -18.4657      1.00000
     18     -17.6650      1.00000
     19     -17.6518      1.00000
     20     -17.6154      1.00000
     21     -17.5829      1.00000
     22     -17.1418      1.00000
     23     -17.1019      1.00000
     24     -16.9701      1.00000
     25     -16.0124      1.00000
     26     -15.9277      1.00000
     27     -15.6040      1.00000
     28     -15.5804      1.00000
     29     -15.2840      1.00000
     30     -14.8814      1.00000
     31     -14.8344      1.00000
     32     -14.5793      1.00000
     33     -14.5414      1.00000
     34     -14.1679      1.00000
     35     -14.1640      1.00000
     36     -13.1664      1.00000
     37     -13.1013      1.00000
     38     -13.0280      1.00000
     39     -13.0228      1.00000
     40     -12.7225      1.00000
     41     -12.6992      1.00000
     42     -12.3455      1.00000
     43     -12.3183      1.00000
     44     -11.6352      1.00000
     45     -11.6260      1.00000
     46     -11.5745      1.00000
     47     -10.9449      1.00000
     48     -10.9271      1.00000
     49     -10.6729      1.00000
     50     -10.5941      1.00000
     51     -10.5769      1.00000
     52     -10.5044      1.00000
     53     -10.4938      1.00000
     54     -10.4433      1.00000
     55     -10.3612      1.00000
     56     -10.1075      1.00000
     57      -9.9017      1.00000
     58      -9.6136      1.00000
     59      -9.5564      1.00000
     60      -9.4581      1.00000
     61      -9.4211      1.00000
     62      -9.4140      1.00000
     63      -9.3841      1.00000
     64      -9.3771      1.00000
     65      -9.2712      1.00000
     66      -9.1684      1.00000
     67      -9.1446      1.00000
     68      -9.1192      1.00000
     69      -8.8700      1.00000
     70      -8.8636      1.00000
     71      -8.8059      1.00000
     72      -8.6000      1.00000
     73      -8.5300      1.00000
     74      -8.1967      1.00000
     75      -8.1741      1.00000
     76      -8.0787      1.00000
     77      -7.8620      1.00000
     78      -7.8407      1.00000
     79      -7.8278      1.00000
     80      -7.7141      1.00000
     81      -7.6998      1.00000
     82      -7.6005      1.00000
     83      -7.5322      1.00000
     84      -7.3536      1.00000
     85      -7.1702      1.00000
     86      -6.9086      1.00000
     87      -6.8995      1.00000
     88      -6.5956      1.00000
     89      -6.5544      1.00000
     90      -6.4103      1.00000
     91      -6.3053      1.00000
     92      -6.2506      1.00000
     93      -6.2039      1.00000
     94      -6.0069      1.00000
     95      -5.5346      1.00000
     96      -5.4681      1.00000
     97      -5.3170      1.00000
     98      -5.2125      1.00000
     99      -5.0496      1.00000
    100      -4.7260      1.00000
    101      -4.6741      1.00000
    102      -4.4253      1.00000
    103      -4.1962      1.00000
    104      -3.8445      1.00000
    105      -3.6365      1.00000
    106      -3.4185      1.00000
    107      -2.2946      0.00000
    108      -1.5109      0.00000
    109      -1.2724      0.00000
    110      -1.2647      0.00000
    111      -1.0365      0.00000
    112      -0.9810      0.00000
    113      -0.8705      0.00000
    114      -0.8024      0.00000
    115      -0.2634      0.00000
    116       0.2024      0.00000
    117       0.2373      0.00000
    118       0.3576      0.00000
    119       0.6871      0.00000
    120       0.8916      0.00000
    121       0.9217      0.00000
    122       1.0377      0.00000
    123       1.1636      0.00000
    124       1.5070      0.00000
    125       1.5595      0.00000
    126       1.7097      0.00000
    127       1.7772      0.00000
    128       1.8358      0.00000
    129       1.9712      0.00000
    130       1.9872      0.00000
    131       2.1941      0.00000
    132       2.2613      0.00000
    133       2.4136      0.00000
    134       2.4967      0.00000
    135       2.5473      0.00000
    136       2.5991      0.00000
    137       2.6171      0.00000
    138       2.6963      0.00000
    139       2.7713      0.00000
    140       2.8675      0.00000
    141       3.0341      0.00000
    142       3.0912      0.00000
    143       3.2020      0.00000
    144       3.2650      0.00000
    145       3.2843      0.00000
    146       3.3139      0.00000
    147       3.3788      0.00000
    148       3.4578      0.00000
    149       3.5211      0.00000
    150       3.6905      0.00000
    151       3.7152      0.00000
    152       3.7574      0.00000
    153       3.8335      0.00000
    154       3.9031      0.00000
    155       3.9434      0.00000
    156       3.9835      0.00000
    157       4.0124      0.00000
    158       4.0544      0.00000
    159       4.0698      0.00000
    160       4.1020      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3952      1.00000
      2     -21.8363      1.00000
      3     -21.6469      1.00000
      4     -21.6119      1.00000
      5     -21.2842      1.00000
      6     -21.2372      1.00000
      7     -21.0620      1.00000
      8     -20.1768      1.00000
      9     -20.1306      1.00000
     10     -19.6216      1.00000
     11     -19.5959      1.00000
     12     -19.4210      1.00000
     13     -19.0995      1.00000
     14     -19.0609      1.00000
     15     -19.0564      1.00000
     16     -19.0441      1.00000
     17     -18.3713      1.00000
     18     -18.3520      1.00000
     19     -18.0217      1.00000
     20     -17.0770      1.00000
     21     -17.0283      1.00000
     22     -16.9541      1.00000
     23     -16.9404      1.00000
     24     -16.4791      1.00000
     25     -16.4668      1.00000
     26     -15.6138      1.00000
     27     -15.6132      1.00000
     28     -15.2540      1.00000
     29     -15.2424      1.00000
     30     -15.1968      1.00000
     31     -15.1064      1.00000
     32     -15.0739      1.00000
     33     -14.7022      1.00000
     34     -14.7017      1.00000
     35     -13.7291      1.00000
     36     -13.7287      1.00000
     37     -13.2404      1.00000
     38     -12.6285      1.00000
     39     -12.5849      1.00000
     40     -12.4599      1.00000
     41     -12.4547      1.00000
     42     -12.1084      1.00000
     43     -12.1039      1.00000
     44     -11.7251      1.00000
     45     -11.6865      1.00000
     46     -11.2489      1.00000
     47     -11.2288      1.00000
     48     -11.0225      1.00000
     49     -11.0111      1.00000
     50     -10.9315      1.00000
     51     -10.9028      1.00000
     52     -10.6405      1.00000
     53     -10.1773      1.00000
     54     -10.1543      1.00000
     55     -10.0898      1.00000
     56      -9.9957      1.00000
     57      -9.7006      1.00000
     58      -9.6938      1.00000
     59      -9.6742      1.00000
     60      -9.5948      1.00000
     61      -9.5704      1.00000
     62      -9.5575      1.00000
     63      -9.3173      1.00000
     64      -9.3050      1.00000
     65      -9.2871      1.00000
     66      -9.2459      1.00000
     67      -9.1260      1.00000
     68      -9.1174      1.00000
     69      -9.1154      1.00000
     70      -8.9432      1.00000
     71      -8.8780      1.00000
     72      -8.6081      1.00000
     73      -8.5889      1.00000
     74      -8.2734      1.00000
     75      -8.1062      1.00000
     76      -7.8702      1.00000
     77      -7.8470      1.00000
     78      -7.7932      1.00000
     79      -7.7685      1.00000
     80      -7.7604      1.00000
     81      -7.4490      1.00000
     82      -7.3391      1.00000
     83      -7.3282      1.00000
     84      -7.2695      1.00000
     85      -7.1655      1.00000
     86      -7.0173      1.00000
     87      -6.9896      1.00000
     88      -6.7209      1.00000
     89      -6.6935      1.00000
     90      -6.6348      1.00000
     91      -6.5935      1.00000
     92      -6.1226      1.00000
     93      -6.0616      1.00000
     94      -6.0477      1.00000
     95      -6.0311      1.00000
     96      -5.7508      1.00000
     97      -4.9769      1.00000
     98      -4.8423      1.00000
     99      -4.7118      1.00000
    100      -4.6760      1.00000
    101      -4.4853      1.00000
    102      -4.3538      1.00000
    103      -4.1144      1.00000
    104      -4.0577      1.00000
    105      -3.7568      1.00000
    106      -3.4672      1.00000
    107      -1.9518      0.00000
    108      -1.7735      0.00000
    109      -1.4820      0.00000
    110      -1.3579      0.00000
    111      -1.3386      0.00000
    112      -1.2957      0.00000
    113      -0.6813      0.00000
    114      -0.4739      0.00000
    115      -0.2372      0.00000
    116       0.0494      0.00000
    117       0.5836      0.00000
    118       0.6908      0.00000
    119       0.7679      0.00000
    120       1.0200      0.00000
    121       1.0945      0.00000
    122       1.1746      0.00000
    123       1.2479      0.00000
    124       1.3325      0.00000
    125       1.4310      0.00000
    126       1.5971      0.00000
    127       1.7764      0.00000
    128       1.8403      0.00000
    129       1.8613      0.00000
    130       1.8851      0.00000
    131       2.0506      0.00000
    132       2.2159      0.00000
    133       2.2295      0.00000
    134       2.2870      0.00000
    135       2.4828      0.00000
    136       2.6221      0.00000
    137       2.6659      0.00000
    138       2.7508      0.00000
    139       2.8158      0.00000
    140       2.8342      0.00000
    141       2.8479      0.00000
    142       2.9005      0.00000
    143       2.9689      0.00000
    144       3.0847      0.00000
    145       3.3286      0.00000
    146       3.3661      0.00000
    147       3.4276      0.00000
    148       3.4373      0.00000
    149       3.4396      0.00000
    150       3.6250      0.00000
    151       3.6737      0.00000
    152       3.6918      0.00000
    153       3.7382      0.00000
    154       3.9011      0.00000
    155       3.9360      0.00000
    156       3.9679      0.00000
    157       4.1166      0.00000
    158       4.2170      0.00000
    159       4.2788      0.00000
    160       4.2906      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2152      1.00000
      2     -22.1246      1.00000
      3     -21.9621      1.00000
      4     -21.4099      1.00000
      5     -21.0514      1.00000
      6     -21.0232      1.00000
      7     -20.5012      1.00000
      8     -20.4713      1.00000
      9     -20.2916      1.00000
     10     -20.2896      1.00000
     11     -19.9616      1.00000
     12     -19.8986      1.00000
     13     -18.8880      1.00000
     14     -18.8205      1.00000
     15     -18.3425      1.00000
     16     -18.3239      1.00000
     17     -18.1538      1.00000
     18     -18.1464      1.00000
     19     -17.8205      1.00000
     20     -17.8028      1.00000
     21     -17.2625      1.00000
     22     -17.2429      1.00000
     23     -17.1647      1.00000
     24     -17.1397      1.00000
     25     -16.1222      1.00000
     26     -15.8849      1.00000
     27     -15.8739      1.00000
     28     -15.8447      1.00000
     29     -15.2350      1.00000
     30     -14.5548      1.00000
     31     -14.5364      1.00000
     32     -14.2796      1.00000
     33     -13.9798      1.00000
     34     -13.9563      1.00000
     35     -13.8296      1.00000
     36     -13.8070      1.00000
     37     -13.6079      1.00000
     38     -13.5829      1.00000
     39     -13.3758      1.00000
     40     -12.6443      1.00000
     41     -12.1724      1.00000
     42     -12.1463      1.00000
     43     -12.0720      1.00000
     44     -12.0254      1.00000
     45     -11.6700      1.00000
     46     -11.6652      1.00000
     47     -11.1402      1.00000
     48     -11.1291      1.00000
     49     -10.7935      1.00000
     50     -10.7376      1.00000
     51     -10.5387      1.00000
     52     -10.2134      1.00000
     53     -10.2071      1.00000
     54     -10.1744      1.00000
     55     -10.0274      1.00000
     56      -9.9983      1.00000
     57      -9.9951      1.00000
     58      -9.8097      1.00000
     59      -9.8009      1.00000
     60      -9.7688      1.00000
     61      -9.7605      1.00000
     62      -9.4573      1.00000
     63      -9.4208      1.00000
     64      -9.0893      1.00000
     65      -9.0506      1.00000
     66      -9.0292      1.00000
     67      -8.9724      1.00000
     68      -8.9012      1.00000
     69      -8.7130      1.00000
     70      -8.7035      1.00000
     71      -8.5628      1.00000
     72      -8.5520      1.00000
     73      -8.4811      1.00000
     74      -8.4636      1.00000
     75      -8.4606      1.00000
     76      -8.3113      1.00000
     77      -8.0984      1.00000
     78      -8.0926      1.00000
     79      -7.9313      1.00000
     80      -7.8353      1.00000
     81      -7.6042      1.00000
     82      -7.5393      1.00000
     83      -7.4462      1.00000
     84      -7.3155      1.00000
     85      -6.9988      1.00000
     86      -6.9239      1.00000
     87      -6.8872      1.00000
     88      -6.5301      1.00000
     89      -6.5176      1.00000
     90      -6.4836      1.00000
     91      -6.4236      1.00000
     92      -5.9302      1.00000
     93      -5.9079      1.00000
     94      -5.7916      1.00000
     95      -5.7780      1.00000
     96      -5.3719      1.00000
     97      -5.3661      1.00000
     98      -5.2230      1.00000
     99      -5.2182      1.00000
    100      -5.2019      1.00000
    101      -4.7227      1.00000
    102      -4.4436      1.00000
    103      -4.1924      1.00000
    104      -3.8219      1.00000
    105      -3.5670      1.00000
    106      -3.2243      1.00000
    107      -2.5646      0.00000
    108      -1.4646      0.00000
    109      -1.2706      0.00000
    110      -1.1873      0.00000
    111      -1.1858      0.00000
    112      -0.6467      0.00000
    113      -0.5540      0.00000
    114      -0.4168      0.00000
    115      -0.3496      0.00000
    116      -0.0802      0.00000
    117      -0.0662      0.00000
    118       0.1234      0.00000
    119       0.5912      0.00000
    120       0.6244      0.00000
    121       0.8515      0.00000
    122       0.9818      0.00000
    123       1.0003      0.00000
    124       1.4918      0.00000
    125       1.6842      0.00000
    126       1.7645      0.00000
    127       1.8607      0.00000
    128       2.1135      0.00000
    129       2.1767      0.00000
    130       2.1987      0.00000
    131       2.2086      0.00000
    132       2.2605      0.00000
    133       2.3687      0.00000
    134       2.4910      0.00000
    135       2.5280      0.00000
    136       2.6657      0.00000
    137       2.8503      0.00000
    138       2.8575      0.00000
    139       2.9543      0.00000
    140       3.0312      0.00000
    141       3.0539      0.00000
    142       3.1333      0.00000
    143       3.2213      0.00000
    144       3.2438      0.00000
    145       3.2660      0.00000
    146       3.2873      0.00000
    147       3.3015      0.00000
    148       3.3530      0.00000
    149       3.4282      0.00000
    150       3.5537      0.00000
    151       3.5686      0.00000
    152       3.6455      0.00000
    153       3.6726      0.00000
    154       3.7322      0.00000
    155       3.7529      0.00000
    156       3.8945      0.00000
    157       3.9776      0.00000
    158       4.0441      0.00000
    159       4.0753      0.00000
    160       4.1874      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2888      1.00000
      2     -22.0842      1.00000
      3     -21.7257      1.00000
      4     -21.6865      1.00000
      5     -20.9881      1.00000
      6     -20.9404      1.00000
      7     -20.6168      1.00000
      8     -20.5845      1.00000
      9     -20.5709      1.00000
     10     -20.0376      1.00000
     11     -19.5180      1.00000
     12     -19.4884      1.00000
     13     -19.3160      1.00000
     14     -19.3034      1.00000
     15     -18.4547      1.00000
     16     -18.4116      1.00000
     17     -17.9321      1.00000
     18     -17.9120      1.00000
     19     -17.7708      1.00000
     20     -17.7260      1.00000
     21     -17.4460      1.00000
     22     -17.4279      1.00000
     23     -17.3429      1.00000
     24     -16.4752      1.00000
     25     -16.4645      1.00000
     26     -15.9762      1.00000
     27     -15.4151      1.00000
     28     -15.4143      1.00000
     29     -15.1001      1.00000
     30     -15.0969      1.00000
     31     -14.8569      1.00000
     32     -14.8452      1.00000
     33     -14.3026      1.00000
     34     -14.2593      1.00000
     35     -13.4488      1.00000
     36     -13.4054      1.00000
     37     -13.1788      1.00000
     38     -13.1778      1.00000
     39     -12.9910      1.00000
     40     -12.9823      1.00000
     41     -12.6142      1.00000
     42     -12.6126      1.00000
     43     -12.2019      1.00000
     44     -11.5830      1.00000
     45     -11.5419      1.00000
     46     -11.3171      1.00000
     47     -11.2867      1.00000
     48     -11.1470      1.00000
     49     -10.6956      1.00000
     50     -10.6669      1.00000
     51     -10.5504      1.00000
     52     -10.3271      1.00000
     53     -10.3196      1.00000
     54     -10.1794      1.00000
     55     -10.1249      1.00000
     56     -10.1113      1.00000
     57      -9.8154      1.00000
     58      -9.7573      1.00000
     59      -9.7566      1.00000
     60      -9.7073      1.00000
     61      -9.7030      1.00000
     62      -9.6505      1.00000
     63      -9.3575      1.00000
     64      -9.3559      1.00000
     65      -9.3208      1.00000
     66      -9.0310      1.00000
     67      -8.9660      1.00000
     68      -8.9620      1.00000
     69      -8.7790      1.00000
     70      -8.5944      1.00000
     71      -8.5912      1.00000
     72      -8.4270      1.00000
     73      -8.3531      1.00000
     74      -8.3259      1.00000
     75      -8.3060      1.00000
     76      -8.2693      1.00000
     77      -8.2569      1.00000
     78      -8.2425      1.00000
     79      -7.9242      1.00000
     80      -7.7364      1.00000
     81      -7.3842      1.00000
     82      -7.3553      1.00000
     83      -7.3254      1.00000
     84      -7.2220      1.00000
     85      -7.1635      1.00000
     86      -7.0681      1.00000
     87      -6.9641      1.00000
     88      -6.9081      1.00000
     89      -6.6156      1.00000
     90      -6.5617      1.00000
     91      -6.2732      1.00000
     92      -5.9995      1.00000
     93      -5.9623      1.00000
     94      -5.6781      1.00000
     95      -5.6516      1.00000
     96      -5.3901      1.00000
     97      -5.3177      1.00000
     98      -5.2968      1.00000
     99      -5.2150      1.00000
    100      -5.2034      1.00000
    101      -4.5127      1.00000
    102      -4.3401      1.00000
    103      -3.9990      1.00000
    104      -3.8881      1.00000
    105      -3.7947      1.00000
    106      -3.4452      1.00000
    107      -2.0358      0.00000
    108      -1.8659      0.00000
    109      -1.2195      0.00000
    110      -1.1875      0.00000
    111      -1.0378      0.00000
    112      -0.7742      0.00000
    113      -0.6798      0.00000
    114      -0.6620      0.00000
    115      -0.6124      0.00000
    116      -0.1038      0.00000
    117       0.2198      0.00000
    118       0.2371      0.00000
    119       0.7657      0.00000
    120       0.9804      0.00000
    121       1.0722      0.00000
    122       1.2390      0.00000
    123       1.2492      0.00000
    124       1.3385      0.00000
    125       1.5763      0.00000
    126       1.5835      0.00000
    127       1.7010      0.00000
    128       1.8030      0.00000
    129       1.9427      0.00000
    130       1.9612      0.00000
    131       2.1088      0.00000
    132       2.3109      0.00000
    133       2.3459      0.00000
    134       2.4142      0.00000
    135       2.5440      0.00000
    136       2.6307      0.00000
    137       2.7959      0.00000
    138       2.8412      0.00000
    139       2.8567      0.00000
    140       2.8795      0.00000
    141       3.0622      0.00000
    142       3.0995      0.00000
    143       3.1503      0.00000
    144       3.2301      0.00000
    145       3.3769      0.00000
    146       3.4182      0.00000
    147       3.5106      0.00000
    148       3.5633      0.00000
    149       3.5902      0.00000
    150       3.6219      0.00000
    151       3.6591      0.00000
    152       3.7358      0.00000
    153       3.7454      0.00000
    154       3.7942      0.00000
    155       3.8457      0.00000
    156       3.8890      0.00000
    157       4.0315      0.00000
    158       4.0885      0.00000
    159       4.1726      0.00000
    160       4.2168      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0411   -7.3897    4.1975   -1.2757   -0.2386   17.5942    0.1469   -0.5323    0.6336   -0.4647
x    -3.0931   -0.0374   -0.0631    0.0615   -0.0091   -2.9774   -0.0109   -0.0070    0.0049    0.0016
x    -0.0966    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0411    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0938   -0.0087    0.0374    0.0378
y    -0.0459   -3.2481   -0.5381   -0.1635   -1.1821   -0.6054
z   204.0411    1.1270   -0.2806    0.0409    0.0089    0.0615    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0778    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1746
z    -0.2827    0.1877   -0.0392    0.0470   -0.1048    0.0013
 total charge-density along one line
x   212.0000  -10.2206    6.1461   -2.0859   -0.4744   19.5129   -0.9963    0.4743   -0.0450   -0.1260
x    -2.6458   -0.0277   -0.0610    0.0845   -0.0532   -2.2248   -0.0248   -0.0026    0.0052    0.0021
x    -0.0897    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2206    6.1461   -2.0859   -0.4744   19.5129   -0.9963    0.4743   -0.0450   -0.1260
y    -2.6458   -0.0277   -0.0610    0.0845   -0.0532   -2.2248   -0.0248   -0.0026    0.0052    0.0021
y    -0.0897    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4907  189.2875 -170.3632  153.6506 -139.4428  125.4424 -110.1292   93.9808  -78.3641
z    64.1524  -51.4987   40.4337  -31.2298   24.1351  -18.9531   15.0388  -11.7242    8.7185   -6.1234
z     4.1333   -2.7616    1.8239   -1.1126    0.5409   -0.1281   -0.1101    0.2269   -0.3089    0.4001
z    -0.4768    0.4932   -0.4396    0.3545   -0.2859    0.2513   -0.2336    0.2089   -0.1710    0.1318
z    -0.1038    0.0881   -0.0769    0.0637   -0.0490    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0089   -0.0074    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.103   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.157   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.836  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.130   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.103   0.000   0.030   0.007   0.000   0.219
  0.000   0.130   0.000 -11.157   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.836  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.225   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.269   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.052   0.000   0.302   0.000   0.029  -0.191  -0.031   0.000   0.095   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.052   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.269   0.000  -0.311   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.413   0.000   0.077   0.585  -0.238   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.069   0.006
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.369  -0.419   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.031   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.419   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.095   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.263   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.045   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.261   8.029   8.934
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.647
  9        0.864   1.784   0.000   2.647
 10        0.864   1.785   0.000   2.649
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.649
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.781   0.000   2.641
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.647
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.646
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.784   0.000   2.648
 28        0.864   1.785   0.000   2.649
 29        0.864   1.783   0.000   2.647
 30        0.864   1.785   0.000   2.649
 31        0.864   1.784   0.000   2.648
 32        0.864   1.782   0.000   2.646
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.647
 35        0.864   1.782   0.000   2.646
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.646
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.860   1.781   0.000   2.641
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.784   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.649
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.649
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.647
 51        0.864   1.784   0.000   2.648
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.871  89.444   8.029 142.344
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  112.89: CPU time   56.87
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  437.11: CPU time  219.03
    STRESS:  VPU time 1315.42: CPU time  660.76
    FORCOR:  VPU time    8.66: CPU time    8.66
    FORHAR:  VPU time    2.29: CPU time    2.29
    MIXING:  VPU time    0.18: CPU time    0.17
 d Force =-0.7634351E-05[-0.210E-04, 0.572E-05]  d Energy =-0.2797381E-04 0.203E-04
 d Force = 0.7946677E+00[ 0.795E+00, 0.795E+00]  d Ewald  =-0.7057688E+01 0.785E+01


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726395 eV

  energy  without entropy=     -471.726395  energy(sigma->0) =     -471.726395
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40857.58  40811.69 -47556.52    -39.74      0.00      0.00
  Hartree  40281.52  40262.40 -39540.28    -16.56      0.00      0.00
  E(xc)     -779.46   -779.76   -807.40     -0.25      0.00      0.00
  Local   -83423.04 -83367.14  84411.63     48.41      0.00      0.00
  n-local   -216.89   -215.78   -203.48      0.69      0.00      0.00
  augment     20.05     22.04     17.81      1.72      0.00      0.00
  Kinetic   3162.69   3176.53   3584.42      3.63      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.11      0.18      0.13      0.06      0.00      0.00
  in kB        0.07      0.11      0.08      0.03      0.00      0.00
  external pressure =        0.09 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.344733781  0.000442818  0.000000000     0.081004525  0.046764177  0.000000000
    -6.171990040 10.691070545  0.000000000    -0.000003355  0.093534065  0.000000000
     0.000000000  0.000000000 19.988170717     0.000000000  0.000000000  0.050029591

  length of vectors
    12.344733789 12.344733713 19.988170717     0.093534065  0.093534066  0.050029591


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.479E-05 -.490E-04 -.951E+03   0.447E-05 -.278E-04 0.960E+03   -.839E-21 0.185E-23 -.871E+01   -.175E-07 0.161E-08 0.334E-01
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   0.983E-03 -.568E-03 0.211E-03
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   -.983E-03 0.568E-03 0.211E-03
   -.204E+01 0.118E+01 0.163E+02   0.203E+01 -.117E+01 -.162E+02   -.362E-02 0.209E-02 -.244E-01   -.863E-03 0.495E-03 -.747E-03
   0.614E+01 0.688E+01 0.194E+02   -.614E+01 -.690E+01 -.193E+02   0.870E-03 0.198E-01 -.271E-01   0.167E-02 -.264E-02 -.577E-03
   0.112E+02 0.508E+01 0.162E+02   -.112E+02 -.508E+01 -.161E+02   0.184E-01 0.103E-01 -.476E-01   -.412E-03 0.106E-02 0.735E-04
   0.471E+01 -.883E+00 0.126E+02   -.473E+01 0.892E+00 -.126E+02   0.133E-01 -.605E-02 -.168E-01   0.613E-03 0.776E-06 0.875E-03
   -.307E+01 -.253E+01 0.126E+02   0.307E+01 0.253E+01 -.126E+02   -.413E-02 0.396E-02 -.130E-01   -.232E-03 0.434E-03 -.142E-03
   0.655E+00 0.393E+01 0.126E+02   -.660E+00 -.392E+01 -.126E+02   -.550E-02 0.160E-02 -.130E-01   -.497E-03 -.220E-04 -.145E-03
   0.241E+01 0.188E+02 0.240E+02   -.241E+01 -.189E+02 -.240E+02   -.342E-02 0.105E+00 -.486E-01   0.142E-02 0.270E-02 -.434E-04
   0.227E+02 0.213E+02 0.423E+02   -.228E+02 -.216E+02 -.422E+02   0.722E-01 0.263E+00 -.603E-01   -.395E-02 0.778E-03 0.494E-03
   0.268E+02 -.343E+01 0.256E+02   -.270E+02 0.354E+01 -.256E+02   0.270E+00 -.109E+00 -.340E-01   0.164E-02 -.289E-03 0.394E-03
   0.912E+01 -.526E+01 0.136E+02   -.916E+01 0.529E+01 -.136E+02   0.419E-01 -.242E-01 -.123E-01   0.161E-02 -.938E-03 -.431E-03
   0.312E+01 -.364E+01 0.126E+02   -.314E+01 0.365E+01 -.126E+02   0.119E-01 -.849E-02 -.168E-01   0.304E-03 -.536E-03 0.868E-03
   -.592E+01 0.137E+02 0.161E+02   0.591E+01 -.137E+02 -.161E+02   -.215E-02 0.708E-01 -.522E-01   -.899E-04 -.140E-02 0.359E-03
   -.119E+02 0.362E+02 0.479E+02   0.119E+02 -.368E+02 -.482E+02   -.345E-01 0.612E+00 0.295E+00   0.121E-02 -.111E-02 0.124E-02
   0.236E+02 -.136E+02 0.940E+02   -.243E+02 0.140E+02 -.960E+02   0.633E+00 -.365E+00 0.205E+01   -.132E-04 0.492E-05 0.759E-03
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.229E+00 -.180E+00 -.340E-01   0.107E-02 -.129E-02 0.390E-03
   0.120E+01 -.122E+02 0.162E+02   -.121E+01 0.123E+02 -.161E+02   0.251E-03 -.211E-01 -.476E-01   -.112E-02 -.172E-03 0.686E-04
   -.412E+01 0.192E+01 0.116E+02   0.412E+01 -.192E+01 -.116E+02   -.186E-02 0.114E-01 -.439E-01   -.896E-03 0.310E-03 0.139E-03
   -.193E+02 0.111E+02 0.217E+02   0.193E+02 -.112E+02 -.217E+02   -.494E-01 0.285E-01 -.438E-01   0.127E-02 -.727E-03 -.453E-03
   -.373E+02 -.784E+01 0.479E+02   0.378E+02 0.813E+01 -.482E+02   -.547E+00 -.276E+00 0.295E+00   0.157E-02 -.499E-03 0.125E-02
   -.714E+01 -.303E+02 0.423E+02   0.731E+01 0.305E+02 -.422E+02   -.192E+00 -.194E+00 -.603E-01   -.265E-02 0.303E-02 0.492E-03
   -.289E+01 -.875E+01 0.194E+02   0.290E+01 0.877E+01 -.193E+02   -.167E-01 -.106E-01 -.271E-01   0.313E-02 -.130E-03 -.577E-03
   0.140E+01 -.810E+00 0.134E+02   -.141E+01 0.814E+00 -.134E+02   -.329E-02 0.190E-02 -.179E-01   -.106E-02 0.616E-03 -.518E-03
   -.372E+01 0.261E+01 0.116E+02   0.373E+01 -.260E+01 -.116E+02   -.108E-01 -.407E-02 -.439E-01   -.715E-03 0.626E-03 0.143E-03
   -.148E+02 -.170E+01 0.161E+02   0.148E+02 0.174E+01 -.161E+02   -.624E-01 -.335E-01 -.522E-01   0.117E-02 0.776E-03 0.366E-03
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.115E+02 -.240E+02   -.923E-01 -.493E-01 -.486E-01   -.162E-02 -.258E-02 -.408E-04
   0.289E+01 0.875E+01 0.194E+02   -.290E+01 -.877E+01 -.193E+02   0.167E-01 0.106E-01 -.271E-01   -.313E-02 0.130E-03 -.577E-03
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.115E+02 -.240E+02   0.923E-01 0.493E-01 -.486E-01   0.162E-02 0.258E-02 -.408E-04
   0.148E+02 0.170E+01 0.161E+02   -.148E+02 -.174E+01 -.161E+02   0.624E-01 0.335E-01 -.522E-01   -.117E-02 -.776E-03 0.366E-03
   0.372E+01 -.261E+01 0.116E+02   -.373E+01 0.260E+01 -.116E+02   0.108E-01 0.407E-02 -.439E-01   0.715E-03 -.626E-03 0.143E-03
   -.140E+01 0.810E+00 0.134E+02   0.141E+01 -.814E+00 -.134E+02   0.329E-02 -.190E-02 -.179E-01   0.106E-02 -.616E-03 -.518E-03
   -.120E+01 0.122E+02 0.162E+02   0.121E+01 -.123E+02 -.161E+02   -.251E-03 0.211E-01 -.476E-01   0.112E-02 0.172E-03 0.686E-04
   0.714E+01 0.303E+02 0.423E+02   -.731E+01 -.305E+02 -.422E+02   0.192E+00 0.194E+00 -.603E-01   0.265E-02 -.303E-02 0.492E-03
   0.373E+02 0.784E+01 0.479E+02   -.378E+02 -.813E+01 -.482E+02   0.547E+00 0.276E+00 0.295E+00   -.157E-02 0.499E-03 0.125E-02
   0.193E+02 -.111E+02 0.217E+02   -.193E+02 0.112E+02 -.217E+02   0.494E-01 -.285E-01 -.438E-01   -.127E-02 0.727E-03 -.453E-03
   0.412E+01 -.192E+01 0.116E+02   -.412E+01 0.192E+01 -.116E+02   0.186E-02 -.114E-01 -.439E-01   0.896E-03 -.310E-03 0.139E-03
   -.312E+01 0.364E+01 0.126E+02   0.314E+01 -.365E+01 -.126E+02   -.119E-01 0.849E-02 -.168E-01   -.304E-03 0.536E-03 0.868E-03
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.229E+00 0.180E+00 -.340E-01   -.107E-02 0.129E-02 0.390E-03
   -.236E+02 0.136E+02 0.940E+02   0.243E+02 -.140E+02 -.960E+02   -.633E+00 0.365E+00 0.205E+01   0.131E-04 -.490E-05 0.759E-03
   0.119E+02 -.362E+02 0.479E+02   -.119E+02 0.368E+02 -.482E+02   0.345E-01 -.612E+00 0.295E+00   -.121E-02 0.111E-02 0.124E-02
   0.592E+01 -.137E+02 0.161E+02   -.591E+01 0.137E+02 -.161E+02   0.215E-02 -.708E-01 -.522E-01   0.898E-04 0.140E-02 0.359E-03
   -.655E+00 -.393E+01 0.126E+02   0.660E+00 0.392E+01 -.126E+02   0.550E-02 -.160E-02 -.130E-01   0.497E-03 0.220E-04 -.145E-03
   -.912E+01 0.526E+01 0.136E+02   0.916E+01 -.529E+01 -.136E+02   -.419E-01 0.242E-01 -.123E-01   -.161E-02 0.938E-03 -.431E-03
   -.268E+02 0.343E+01 0.256E+02   0.270E+02 -.354E+01 -.256E+02   -.270E+00 0.109E+00 -.340E-01   -.164E-02 0.289E-03 0.394E-03
   -.227E+02 -.213E+02 0.423E+02   0.228E+02 0.216E+02 -.422E+02   -.722E-01 -.263E+00 -.603E-01   0.395E-02 -.778E-03 0.494E-03
   -.241E+01 -.188E+02 0.240E+02   0.241E+01 0.189E+02 -.240E+02   0.342E-02 -.105E+00 -.486E-01   -.142E-02 -.270E-02 -.434E-04
   0.204E+01 -.118E+01 0.163E+02   -.203E+01 0.117E+01 -.162E+02   0.362E-02 -.209E-02 -.244E-01   0.863E-03 -.495E-03 -.747E-03
   0.307E+01 0.253E+01 0.126E+02   -.307E+01 -.253E+01 -.126E+02   0.413E-02 -.396E-02 -.130E-01   0.232E-03 -.434E-03 -.142E-03
   -.471E+01 0.883E+00 0.126E+02   0.473E+01 -.893E+00 -.126E+02   -.133E-01 0.605E-02 -.168E-01   -.613E-03 -.769E-06 0.875E-03
   -.112E+02 -.508E+01 0.162E+02   0.112E+02 0.508E+01 -.161E+02   -.184E-01 -.103E-01 -.476E-01   0.412E-03 -.106E-02 0.735E-04
   -.614E+01 -.688E+01 0.194E+02   0.614E+01 0.690E+01 -.193E+02   -.870E-03 -.198E-01 -.271E-01   -.167E-02 0.264E-02 -.577E-03
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.287E-03 0.100E+02   -.353E-12 0.746E-13 0.814E-12   -.124E-15 -.177E-15 -.101E+02   -.738E-07 0.451E-07 0.423E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85192      6.05847     12.26644         0.000000      0.000000      0.003881
      1.07484      6.50712     13.52587         0.000678     -0.000392      0.010039
      2.62901      5.60982     13.52587        -0.000678      0.000392      0.010039
      0.00019     -0.00011      9.91172        -0.005850      0.003377      0.000330
     -1.23475      2.13679      9.91036         0.000481     -0.002125      0.000423
     -2.46988      4.27611      9.93032        -0.007804      0.006657      0.000012
     -3.70361      6.41470      9.93799        -0.004980      0.003909     -0.000262
     -4.93730      8.55279      9.92862        -0.010916      0.006487     -0.000242
      2.46915     -0.00013      9.92862        -0.011076      0.006210     -0.000242
      1.23385      2.13641      9.91987        -0.005756      0.007774     -0.001120
     -0.00257      4.27043      9.93231        -0.016738      0.009244     -0.002282
     -1.23844      6.41529      9.95448         0.002204      0.002103     -0.001200
     -2.46900      8.55315      9.93996        -0.001213      0.000700      0.000839
      4.93764      0.00051      9.93799        -0.005875      0.002358     -0.000262
      3.70397      2.13653      9.94133        -0.005383     -0.003249     -0.001460
      2.46974      4.26814      9.96883        -0.008790      0.000844     -0.001658
      1.22898      6.41812      9.97510        -0.010635      0.006140      0.002464
     -0.00228      8.55638      9.95448        -0.000720     -0.002961     -0.001200
      7.40658      0.00137      9.93032        -0.009667      0.003430      0.000012
      6.17225      2.13848      9.93666        -0.008429      0.005327     -0.000261
      4.93864      4.27635      9.94944         0.003048     -0.001760     -0.000171
      3.71130      6.41859      9.96883        -0.005126      0.007190     -0.001658
      2.47316      8.55852      9.93231        -0.016374      0.009873     -0.002282
      9.87684      0.00137      9.91036         0.002081      0.000645      0.000423
      8.64136      2.13859      9.92157        -0.010726      0.006193      0.000658
      7.40689      4.27695      9.93666        -0.008828      0.004636     -0.000261
      6.17444      6.41552      9.94133         0.000122      0.006286     -0.001460
      4.93948      8.55476      9.91987        -0.009610      0.001098     -0.001120
     -0.00100      1.42449      9.91036        -0.002081     -0.000645      0.000423
     -1.23563      3.56217      9.91987         0.009610     -0.001098     -0.001120
     -2.47059      5.70141      9.94133        -0.000122     -0.006286     -0.001460
     -3.70305      7.83998      9.93666         0.008828     -0.004636     -0.000261
     -4.93751      9.97834      9.92157         0.010726     -0.006193      0.000658
      2.46926      1.42449      9.93032         0.009667     -0.003430      0.000012
      1.23069      3.55841      9.93231         0.016374     -0.009873     -0.002282
     -0.00745      5.69834      9.96883         0.005126     -0.007190     -0.001658
     -1.23480      7.84058      9.94944        -0.003048      0.001760     -0.000171
     -2.46840      9.97845      9.93666         0.008429     -0.005327     -0.000261
      4.93820      1.42535      9.93799         0.005875     -0.002358     -0.000262
      3.70613      3.56055      9.95448         0.000720      0.002961     -0.001200
      2.47486      5.69881      9.97510         0.010635     -0.006140      0.002464
      1.23411      7.84879      9.96883         0.008790     -0.000844     -0.001658
     -0.00012      9.98040      9.94133         0.005383      0.003249     -0.001460
      7.40669      1.42599      9.92862         0.011076     -0.006210     -0.000242
      6.17285      3.56378      9.93996         0.001213     -0.000700      0.000839
      4.94229      5.70164      9.95448        -0.002204     -0.002103     -0.001200
      3.70642      7.84650      9.93231         0.016738     -0.009244     -0.002282
      2.47000      9.98052      9.91987         0.005756     -0.007774     -0.001120
      9.87565      1.42597      9.91172         0.005850     -0.003377      0.000330
      8.64115      3.56414      9.92862         0.010916     -0.006487     -0.000242
      7.40746      5.70223      9.93799         0.004980     -0.003909     -0.000262
      6.17373      7.84082      9.93032         0.007804     -0.006657      0.000012
      4.93860      9.98014      9.91036        -0.000481      0.002125      0.000423
 -----------------------------------------------------------------------------------
    total drift:                               -0.001798      0.000287     -0.001557


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.95: CPU time    1.95
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.36: CPU time    1.36
    ORTHCH:  VPU time  181.32: CPU time   90.77
     LOOP+:  VPU time 5450.26: CPU time 2794.70


----------------------------------------- Iteration   24(   1)  ---------------------------------------


    POTLOK:  VPU time    8.86: CPU time    8.84
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1644.63: CPU time  845.66
 BZINTS: Fermi energy: -3.185992;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.54: CPU time   45.56
    MIXING:  VPU time    0.13: CPU time    0.13
    ------------------------------------------
      LOOP:  VPU time 1744.56: CPU time  900.56

 eigenvalue-minimisations  :  5952
 total energy-change (2. order) :-0.4717264E+03  (-0.1574214E-03)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9587468 magnetization    0.0000001

 Broyden mixing:
  rms(total) = 0.96772E-03    rms(broyden)= 0.96725E-03
  rms(prec ) = 0.10748E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34108.78533973
  -1/2 Hartree   DENC   =    -40999.30836126
  -V(xc)+E(xc)   XCENC  =       726.62009019
  PAW double counting   =      4094.76777123    -4133.11806849
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.91302898
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72640397 eV

  energy without entropy =     -471.72640397  energy(sigma->0) =     -471.72640397


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   24(   2)  ---------------------------------------


    POTLOK:  VPU time    7.70: CPU time    7.70
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1180.51: CPU time  602.91
 BZINTS: Fermi energy: -3.187178;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1188.54: CPU time  610.92

 eigenvalue-minimisations  :  4472
 total energy-change (2. order) :-0.1845747E-06  (-0.3227127E-05)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9587468 magnetization    0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34108.78533973
  -1/2 Hartree   DENC   =    -40999.24983954
  -V(xc)+E(xc)   XCENC  =       726.61672315
  PAW double counting   =      4094.63256249    -4132.98177868
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.96926491
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72640416 eV

  energy without entropy =     -471.72640416  energy(sigma->0) =     -471.72640416


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2180       2 -39.5382       3 -39.5383       4 -58.3132       5 -58.3173
       6 -58.3198       7 -58.3144       8 -58.3146       9 -58.3146      10 -58.3211
      11 -58.3872      12 -58.3511      13 -58.3228      14 -58.3144      15 -58.3242
      16 -58.5424      17 -58.7292      18 -58.3511      19 -58.3198      20 -58.3194
      21 -58.3574      22 -58.5424      23 -58.3872      24 -58.3173      25 -58.3225
      26 -58.3194      27 -58.3242      28 -58.3211      29 -58.3172      30 -58.3210
      31 -58.3240      32 -58.3193      33 -58.3224      34 -58.3197      35 -58.3871
      36 -58.5423      37 -58.3574      38 -58.3193      39 -58.3143      40 -58.3510
      41 -58.7291      42 -58.5423      43 -58.3241      44 -58.3145      45 -58.3226
      46 -58.3510      47 -58.3871      48 -58.3210      49 -58.3131      50 -58.3145
      51 -58.3143      52 -58.3198      53 -58.3172
 
 
 
 E-fermi :  -3.1872     XC(G=0):  -2.3410     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4279      1.00000
      2     -21.6046      1.00000
      3     -21.4830      1.00000
      4     -21.4738      1.00000
      5     -21.4423      1.00000
      6     -21.4415      1.00000
      7     -21.4314      1.00000
      8     -19.7087      1.00000
      9     -19.6539      1.00000
     10     -19.6305      1.00000
     11     -19.6195      1.00000
     12     -19.6142      1.00000
     13     -19.6133      1.00000
     14     -18.7907      1.00000
     15     -18.7558      1.00000
     16     -18.7359      1.00000
     17     -18.7263      1.00000
     18     -18.7193      1.00000
     19     -18.7138      1.00000
     20     -16.6355      1.00000
     21     -16.6097      1.00000
     22     -16.5852      1.00000
     23     -16.5817      1.00000
     24     -16.5548      1.00000
     25     -16.5531      1.00000
     26     -15.6157      1.00000
     27     -15.6026      1.00000
     28     -15.5994      1.00000
     29     -15.5654      1.00000
     30     -15.5636      1.00000
     31     -15.5631      1.00000
     32     -14.2605      1.00000
     33     -14.2512      1.00000
     34     -14.2410      1.00000
     35     -14.2360      1.00000
     36     -14.2230      1.00000
     37     -14.2201      1.00000
     38     -11.9059      1.00000
     39     -11.8789      1.00000
     40     -11.8676      1.00000
     41     -11.8659      1.00000
     42     -11.8451      1.00000
     43     -11.8449      1.00000
     44     -11.7717      1.00000
     45     -11.7688      1.00000
     46     -11.7364      1.00000
     47     -11.7296      1.00000
     48     -11.7250      1.00000
     49     -11.7230      1.00000
     50     -10.6770      1.00000
     51     -10.3892      1.00000
     52     -10.3839      1.00000
     53     -10.3770      1.00000
     54     -10.3695      1.00000
     55     -10.3558      1.00000
     56     -10.3539      1.00000
     57      -9.9048      1.00000
     58      -9.4514      1.00000
     59      -9.4064      1.00000
     60      -9.3634      1.00000
     61      -9.3628      1.00000
     62      -9.3550      1.00000
     63      -9.1426      1.00000
     64      -9.1213      1.00000
     65      -9.1213      1.00000
     66      -9.0845      1.00000
     67      -9.0720      1.00000
     68      -9.0715      1.00000
     69      -9.0715      1.00000
     70      -9.0640      1.00000
     71      -9.0638      1.00000
     72      -9.0384      1.00000
     73      -9.0290      1.00000
     74      -9.0255      1.00000
     75      -8.1310      1.00000
     76      -7.7461      1.00000
     77      -7.4682      1.00000
     78      -7.4667      1.00000
     79      -7.4537      1.00000
     80      -7.4339      1.00000
     81      -7.4246      1.00000
     82      -7.4066      1.00000
     83      -7.3134      1.00000
     84      -7.2715      1.00000
     85      -7.2579      1.00000
     86      -7.2495      1.00000
     87      -7.1516      1.00000
     88      -7.0502      1.00000
     89      -6.4467      1.00000
     90      -6.4164      1.00000
     91      -6.4008      1.00000
     92      -6.3641      1.00000
     93      -6.3533      1.00000
     94      -6.3412      1.00000
     95      -5.9588      1.00000
     96      -5.9573      1.00000
     97      -4.8067      1.00000
     98      -4.5445      1.00000
     99      -4.4816      1.00000
    100      -4.4745      1.00000
    101      -4.3824      1.00000
    102      -4.3818      1.00000
    103      -4.2683      1.00000
    104      -4.1876      1.00000
    105      -3.7396      1.00000
    106      -3.4778      1.00000
    107      -1.8616      0.00000
    108      -1.6709      0.00000
    109      -1.6243      0.00000
    110      -1.5914      0.00000
    111      -1.5759      0.00000
    112      -1.5750      0.00000
    113      -0.4293      0.00000
    114       0.1453      0.00000
    115       0.1923      0.00000
    116       0.2559      0.00000
    117       0.2673      0.00000
    118       0.2714      0.00000
    119       0.4765      0.00000
    120       0.5404      0.00000
    121       1.2421      0.00000
    122       1.2879      0.00000
    123       1.5265      0.00000
    124       1.7645      0.00000
    125       1.7674      0.00000
    126       1.7674      0.00000
    127       1.8175      0.00000
    128       1.8273      0.00000
    129       1.9591      0.00000
    130       1.9669      0.00000
    131       1.9744      0.00000
    132       1.9894      0.00000
    133       1.9966      0.00000
    134       2.0718      0.00000
    135       2.2389      0.00000
    136       2.3467      0.00000
    137       2.5955      0.00000
    138       2.5988      0.00000
    139       2.6225      0.00000
    140       2.7131      0.00000
    141       2.9306      0.00000
    142       3.0618      0.00000
    143       3.0838      0.00000
    144       3.1106      0.00000
    145       3.1219      0.00000
    146       3.1255      0.00000
    147       3.1304      0.00000
    148       3.2726      0.00000
    149       3.4563      0.00000
    150       3.5046      0.00000
    151       3.8314      0.00000
    152       3.9646      0.00000
    153       3.9686      0.00000
    154       3.9723      0.00000
    155       3.9791      0.00000
    156       3.9977      0.00000
    157       4.1860      0.00000
    158       4.2579      0.00000
    159       4.2725      0.00000
    160       4.2793      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3913      1.00000
      2     -21.8321      1.00000
      3     -21.6398      1.00000
      4     -21.6120      1.00000
      5     -21.2762      1.00000
      6     -21.2367      1.00000
      7     -21.0583      1.00000
      8     -20.1690      1.00000
      9     -20.1308      1.00000
     10     -19.6099      1.00000
     11     -19.5988      1.00000
     12     -19.4183      1.00000
     13     -19.0908      1.00000
     14     -19.0611      1.00000
     15     -19.0500      1.00000
     16     -19.0427      1.00000
     17     -18.3616      1.00000
     18     -18.3533      1.00000
     19     -18.0199      1.00000
     20     -17.0699      1.00000
     21     -17.0311      1.00000
     22     -16.9445      1.00000
     23     -16.9408      1.00000
     24     -16.4686      1.00000
     25     -16.4639      1.00000
     26     -15.6153      1.00000
     27     -15.6081      1.00000
     28     -15.2535      1.00000
     29     -15.2442      1.00000
     30     -15.1854      1.00000
     31     -15.0984      1.00000
     32     -15.0717      1.00000
     33     -14.6994      1.00000
     34     -14.6973      1.00000
     35     -13.7271      1.00000
     36     -13.7246      1.00000
     37     -13.2360      1.00000
     38     -12.6144      1.00000
     39     -12.5842      1.00000
     40     -12.4548      1.00000
     41     -12.4513      1.00000
     42     -12.1096      1.00000
     43     -12.1052      1.00000
     44     -11.7181      1.00000
     45     -11.6872      1.00000
     46     -11.2355      1.00000
     47     -11.2260      1.00000
     48     -11.0181      1.00000
     49     -11.0101      1.00000
     50     -10.9274      1.00000
     51     -10.9058      1.00000
     52     -10.6321      1.00000
     53     -10.1551      1.00000
     54     -10.1512      1.00000
     55     -10.0918      1.00000
     56      -9.9993      1.00000
     57      -9.7036      1.00000
     58      -9.6950      1.00000
     59      -9.6569      1.00000
     60      -9.5923      1.00000
     61      -9.5774      1.00000
     62      -9.5591      1.00000
     63      -9.3072      1.00000
     64      -9.3034      1.00000
     65      -9.2750      1.00000
     66      -9.2372      1.00000
     67      -9.1376      1.00000
     68      -9.1149      1.00000
     69      -9.1117      1.00000
     70      -8.9406      1.00000
     71      -8.8726      1.00000
     72      -8.6047      1.00000
     73      -8.5909      1.00000
     74      -8.2373      1.00000
     75      -8.1002      1.00000
     76      -7.9139      1.00000
     77      -7.8641      1.00000
     78      -7.7714      1.00000
     79      -7.7569      1.00000
     80      -7.6930      1.00000
     81      -7.5612      1.00000
     82      -7.3385      1.00000
     83      -7.3227      1.00000
     84      -7.2051      1.00000
     85      -7.1242      1.00000
     86      -7.0328      1.00000
     87      -7.0126      1.00000
     88      -6.7050      1.00000
     89      -6.6788      1.00000
     90      -6.6417      1.00000
     91      -6.5983      1.00000
     92      -6.1153      1.00000
     93      -6.0626      1.00000
     94      -6.0314      1.00000
     95      -6.0119      1.00000
     96      -5.7837      1.00000
     97      -4.9748      1.00000
     98      -4.8323      1.00000
     99      -4.7473      1.00000
    100      -4.6796      1.00000
    101      -4.4693      1.00000
    102      -4.2039      1.00000
    103      -4.1720      1.00000
    104      -4.1282      1.00000
    105      -3.7299      1.00000
    106      -3.4879      1.00000
    107      -1.8702      0.00000
    108      -1.8091      0.00000
    109      -1.5243      0.00000
    110      -1.3779      0.00000
    111      -1.3213      0.00000
    112      -1.2880      0.00000
    113      -0.7198      0.00000
    114      -0.3761      0.00000
    115      -0.2502      0.00000
    116       0.0363      0.00000
    117       0.5498      0.00000
    118       0.6971      0.00000
    119       0.7459      0.00000
    120       1.0468      0.00000
    121       1.1001      0.00000
    122       1.1466      0.00000
    123       1.2264      0.00000
    124       1.3724      0.00000
    125       1.5174      0.00000
    126       1.5725      0.00000
    127       1.7110      0.00000
    128       1.8224      0.00000
    129       1.8601      0.00000
    130       1.8806      0.00000
    131       2.0934      0.00000
    132       2.1772      0.00000
    133       2.2356      0.00000
    134       2.2991      0.00000
    135       2.5067      0.00000
    136       2.5791      0.00000
    137       2.6611      0.00000
    138       2.7764      0.00000
    139       2.7995      0.00000
    140       2.8291      0.00000
    141       2.8786      0.00000
    142       2.8981      0.00000
    143       2.9557      0.00000
    144       3.0690      0.00000
    145       3.1471      0.00000
    146       3.3173      0.00000
    147       3.4034      0.00000
    148       3.4482      0.00000
    149       3.4695      0.00000
    150       3.6227      0.00000
    151       3.6504      0.00000
    152       3.6815      0.00000
    153       3.7214      0.00000
    154       3.9106      0.00000
    155       3.9581      0.00000
    156       4.0111      0.00000
    157       4.0639      0.00000
    158       4.2425      0.00000
    159       4.2522      0.00000
    160       4.2737      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2852      1.00000
      2     -22.0796      1.00000
      3     -21.7182      1.00000
      4     -21.6864      1.00000
      5     -20.9809      1.00000
      6     -20.9403      1.00000
      7     -20.6132      1.00000
      8     -20.5766      1.00000
      9     -20.5703      1.00000
     10     -20.0339      1.00000
     11     -19.5046      1.00000
     12     -19.4929      1.00000
     13     -19.3080      1.00000
     14     -19.3029      1.00000
     15     -18.4487      1.00000
     16     -18.4120      1.00000
     17     -17.9232      1.00000
     18     -17.9139      1.00000
     19     -17.7624      1.00000
     20     -17.7267      1.00000
     21     -17.4366      1.00000
     22     -17.4294      1.00000
     23     -17.3416      1.00000
     24     -16.4636      1.00000
     25     -16.4624      1.00000
     26     -15.9678      1.00000
     27     -15.4154      1.00000
     28     -15.4097      1.00000
     29     -15.0976      1.00000
     30     -15.0939      1.00000
     31     -14.8555      1.00000
     32     -14.8479      1.00000
     33     -14.2906      1.00000
     34     -14.2579      1.00000
     35     -13.4369      1.00000
     36     -13.4045      1.00000
     37     -13.1779      1.00000
     38     -13.1747      1.00000
     39     -12.9827      1.00000
     40     -12.9778      1.00000
     41     -12.6134      1.00000
     42     -12.6105      1.00000
     43     -12.1979      1.00000
     44     -11.5774      1.00000
     45     -11.5436      1.00000
     46     -11.3114      1.00000
     47     -11.2886      1.00000
     48     -11.1420      1.00000
     49     -10.6769      1.00000
     50     -10.6604      1.00000
     51     -10.5540      1.00000
     52     -10.3234      1.00000
     53     -10.3182      1.00000
     54     -10.1704      1.00000
     55     -10.1156      1.00000
     56     -10.1129      1.00000
     57      -9.7991      1.00000
     58      -9.7647      1.00000
     59      -9.7525      1.00000
     60      -9.7005      1.00000
     61      -9.6968      1.00000
     62      -9.6631      1.00000
     63      -9.3541      1.00000
     64      -9.3520      1.00000
     65      -9.3160      1.00000
     66      -9.0418      1.00000
     67      -8.9619      1.00000
     68      -8.9501      1.00000
     69      -8.8004      1.00000
     70      -8.5953      1.00000
     71      -8.5584      1.00000
     72      -8.3992      1.00000
     73      -8.3656      1.00000
     74      -8.3247      1.00000
     75      -8.3071      1.00000
     76      -8.2591      1.00000
     77      -8.2572      1.00000
     78      -8.2366      1.00000
     79      -7.9057      1.00000
     80      -7.6519      1.00000
     81      -7.5500      1.00000
     82      -7.3861      1.00000
     83      -7.3492      1.00000
     84      -7.2304      1.00000
     85      -7.0972      1.00000
     86      -7.0396      1.00000
     87      -6.9346      1.00000
     88      -6.8489      1.00000
     89      -6.6128      1.00000
     90      -6.5582      1.00000
     91      -6.2698      1.00000
     92      -6.0443      1.00000
     93      -5.9520      1.00000
     94      -5.6631      1.00000
     95      -5.6230      1.00000
     96      -5.4635      1.00000
     97      -5.3203      1.00000
     98      -5.2792      1.00000
     99      -5.2142      1.00000
    100      -5.1941      1.00000
    101      -4.5090      1.00000
    102      -4.2081      1.00000
    103      -4.0594      1.00000
    104      -3.9893      1.00000
    105      -3.6946      1.00000
    106      -3.4981      1.00000
    107      -1.9463      0.00000
    108      -1.8964      0.00000
    109      -1.3389      0.00000
    110      -1.0848      0.00000
    111      -1.0585      0.00000
    112      -0.8002      0.00000
    113      -0.6779      0.00000
    114      -0.6467      0.00000
    115      -0.6072      0.00000
    116      -0.1084      0.00000
    117       0.2156      0.00000
    118       0.3287      0.00000
    119       0.6879      0.00000
    120       0.8821      0.00000
    121       1.1257      0.00000
    122       1.1986      0.00000
    123       1.3209      0.00000
    124       1.4138      0.00000
    125       1.5518      0.00000
    126       1.5752      0.00000
    127       1.6704      0.00000
    128       1.8062      0.00000
    129       1.8775      0.00000
    130       2.0484      0.00000
    131       2.1400      0.00000
    132       2.3347      0.00000
    133       2.3676      0.00000
    134       2.3869      0.00000
    135       2.5363      0.00000
    136       2.6270      0.00000
    137       2.7236      0.00000
    138       2.7791      0.00000
    139       2.8486      0.00000
    140       2.8832      0.00000
    141       3.0438      0.00000
    142       3.0591      0.00000
    143       3.1558      0.00000
    144       3.2593      0.00000
    145       3.3549      0.00000
    146       3.4106      0.00000
    147       3.4273      0.00000
    148       3.5693      0.00000
    149       3.5859      0.00000
    150       3.6021      0.00000
    151       3.6587      0.00000
    152       3.6695      0.00000
    153       3.7765      0.00000
    154       3.8045      0.00000
    155       3.8275      0.00000
    156       3.8962      0.00000
    157       3.9141      0.00000
    158       3.9912      0.00000
    159       4.2086      0.00000
    160       4.2255      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3192      1.00000
      2     -21.9644      1.00000
      3     -21.8953      1.00000
      4     -21.3825      1.00000
      5     -21.3533      1.00000
      6     -20.8411      1.00000
      7     -20.7758      1.00000
      8     -20.6255      1.00000
      9     -20.0791      1.00000
     10     -20.0733      1.00000
     11     -19.7180      1.00000
     12     -19.6936      1.00000
     13     -18.9977      1.00000
     14     -18.9917      1.00000
     15     -18.6419      1.00000
     16     -18.6259      1.00000
     17     -18.4631      1.00000
     18     -17.6761      1.00000
     19     -17.6257      1.00000
     20     -17.6229      1.00000
     21     -17.5810      1.00000
     22     -17.1274      1.00000
     23     -17.1060      1.00000
     24     -16.9628      1.00000
     25     -16.0023      1.00000
     26     -15.9309      1.00000
     27     -15.5865      1.00000
     28     -15.5862      1.00000
     29     -15.2878      1.00000
     30     -14.8647      1.00000
     31     -14.8376      1.00000
     32     -14.5794      1.00000
     33     -14.5375      1.00000
     34     -14.1697      1.00000
     35     -14.1561      1.00000
     36     -13.1482      1.00000
     37     -13.1012      1.00000
     38     -13.0300      1.00000
     39     -13.0199      1.00000
     40     -12.7093      1.00000
     41     -12.7051      1.00000
     42     -12.3425      1.00000
     43     -12.3112      1.00000
     44     -11.6367      1.00000
     45     -11.6231      1.00000
     46     -11.5731      1.00000
     47     -10.9503      1.00000
     48     -10.9172      1.00000
     49     -10.6329      1.00000
     50     -10.6245      1.00000
     51     -10.5480      1.00000
     52     -10.5004      1.00000
     53     -10.5001      1.00000
     54     -10.4394      1.00000
     55     -10.3603      1.00000
     56     -10.1005      1.00000
     57      -9.9047      1.00000
     58      -9.6082      1.00000
     59      -9.5560      1.00000
     60      -9.4533      1.00000
     61      -9.4127      1.00000
     62      -9.4057      1.00000
     63      -9.3773      1.00000
     64      -9.3768      1.00000
     65      -9.2884      1.00000
     66      -9.1693      1.00000
     67      -9.1437      1.00000
     68      -9.1155      1.00000
     69      -8.8653      1.00000
     70      -8.8577      1.00000
     71      -8.8161      1.00000
     72      -8.5979      1.00000
     73      -8.4809      1.00000
     74      -8.1993      1.00000
     75      -8.1637      1.00000
     76      -8.0099      1.00000
     77      -7.9643      1.00000
     78      -7.8500      1.00000
     79      -7.8401      1.00000
     80      -7.7041      1.00000
     81      -7.6967      1.00000
     82      -7.6230      1.00000
     83      -7.4495      1.00000
     84      -7.3016      1.00000
     85      -7.2539      1.00000
     86      -6.9064      1.00000
     87      -6.8927      1.00000
     88      -6.5894      1.00000
     89      -6.5519      1.00000
     90      -6.4054      1.00000
     91      -6.2540      1.00000
     92      -6.2333      1.00000
     93      -6.2058      1.00000
     94      -6.0235      1.00000
     95      -5.5504      1.00000
     96      -5.4893      1.00000
     97      -5.3507      1.00000
     98      -5.2200      1.00000
     99      -4.9797      1.00000
    100      -4.7329      1.00000
    101      -4.6782      1.00000
    102      -4.3880      1.00000
    103      -4.2034      1.00000
    104      -3.8711      1.00000
    105      -3.5465      1.00000
    106      -3.5101      1.00000
    107      -2.2566      0.00000
    108      -1.4564      0.00000
    109      -1.3717      0.00000
    110      -1.2419      0.00000
    111      -1.0979      0.00000
    112      -0.9449      0.00000
    113      -0.8636      0.00000
    114      -0.8031      0.00000
    115      -0.1398      0.00000
    116       0.1107      0.00000
    117       0.2406      0.00000
    118       0.3774      0.00000
    119       0.6450      0.00000
    120       0.8352      0.00000
    121       0.9364      0.00000
    122       1.0590      0.00000
    123       1.2261      0.00000
    124       1.4435      0.00000
    125       1.5402      0.00000
    126       1.7662      0.00000
    127       1.7927      0.00000
    128       1.8768      0.00000
    129       1.9575      0.00000
    130       2.0459      0.00000
    131       2.1656      0.00000
    132       2.1983      0.00000
    133       2.4042      0.00000
    134       2.4832      0.00000
    135       2.5444      0.00000
    136       2.6039      0.00000
    137       2.6412      0.00000
    138       2.6882      0.00000
    139       2.7807      0.00000
    140       2.8261      0.00000
    141       2.9403      0.00000
    142       3.0821      0.00000
    143       3.1931      0.00000
    144       3.2268      0.00000
    145       3.2707      0.00000
    146       3.3305      0.00000
    147       3.3415      0.00000
    148       3.4625      0.00000
    149       3.4888      0.00000
    150       3.6959      0.00000
    151       3.7033      0.00000
    152       3.7224      0.00000
    153       3.8513      0.00000
    154       3.9144      0.00000
    155       3.9469      0.00000
    156       3.9791      0.00000
    157       4.0277      0.00000
    158       4.0318      0.00000
    159       4.0479      0.00000
    160       4.0843      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2122      1.00000
      2     -22.1192      1.00000
      3     -21.9585      1.00000
      4     -21.4060      1.00000
      5     -21.0513      1.00000
      6     -21.0154      1.00000
      7     -20.5021      1.00000
      8     -20.4627      1.00000
      9     -20.2963      1.00000
     10     -20.2770      1.00000
     11     -19.9590      1.00000
     12     -19.8932      1.00000
     13     -18.8838      1.00000
     14     -18.8151      1.00000
     15     -18.3539      1.00000
     16     -18.3077      1.00000
     17     -18.1541      1.00000
     18     -18.1370      1.00000
     19     -17.8278      1.00000
     20     -17.7902      1.00000
     21     -17.2526      1.00000
     22     -17.2426      1.00000
     23     -17.1655      1.00000
     24     -17.1338      1.00000
     25     -16.1110      1.00000
     26     -15.8868      1.00000
     27     -15.8713      1.00000
     28     -15.8351      1.00000
     29     -15.2372      1.00000
     30     -14.5561      1.00000
     31     -14.5281      1.00000
     32     -14.2808      1.00000
     33     -13.9643      1.00000
     34     -13.9568      1.00000
     35     -13.8208      1.00000
     36     -13.8050      1.00000
     37     -13.6154      1.00000
     38     -13.5716      1.00000
     39     -13.3712      1.00000
     40     -12.6354      1.00000
     41     -12.1817      1.00000
     42     -12.1336      1.00000
     43     -12.0732      1.00000
     44     -12.0209      1.00000
     45     -11.6699      1.00000
     46     -11.6564      1.00000
     47     -11.1395      1.00000
     48     -11.1189      1.00000
     49     -10.7956      1.00000
     50     -10.7320      1.00000
     51     -10.5298      1.00000
     52     -10.2086      1.00000
     53     -10.2065      1.00000
     54     -10.1659      1.00000
     55     -10.0182      1.00000
     56     -10.0051      1.00000
     57      -9.9913      1.00000
     58      -9.8018      1.00000
     59      -9.7977      1.00000
     60      -9.7626      1.00000
     61      -9.7577      1.00000
     62      -9.4554      1.00000
     63      -9.4184      1.00000
     64      -9.0813      1.00000
     65      -9.0726      1.00000
     66      -9.0412      1.00000
     67      -8.9558      1.00000
     68      -8.8782      1.00000
     69      -8.7124      1.00000
     70      -8.7000      1.00000
     71      -8.5665      1.00000
     72      -8.5436      1.00000
     73      -8.5001      1.00000
     74      -8.4626      1.00000
     75      -8.4541      1.00000
     76      -8.2612      1.00000
     77      -8.1263      1.00000
     78      -8.0441      1.00000
     79      -7.9157      1.00000
     80      -7.8639      1.00000
     81      -7.6156      1.00000
     82      -7.5491      1.00000
     83      -7.4909      1.00000
     84      -7.2689      1.00000
     85      -6.9949      1.00000
     86      -6.9229      1.00000
     87      -6.8818      1.00000
     88      -6.5327      1.00000
     89      -6.4874      1.00000
     90      -6.4618      1.00000
     91      -6.4108      1.00000
     92      -5.9844      1.00000
     93      -5.8979      1.00000
     94      -5.7850      1.00000
     95      -5.7600      1.00000
     96      -5.4325      1.00000
     97      -5.3296      1.00000
     98      -5.2306      1.00000
     99      -5.2181      1.00000
    100      -5.1886      1.00000
    101      -4.6924      1.00000
    102      -4.4220      1.00000
    103      -4.2099      1.00000
    104      -3.8344      1.00000
    105      -3.5292      1.00000
    106      -3.2743      1.00000
    107      -2.5313      0.00000
    108      -1.4579      0.00000
    109      -1.2669      0.00000
    110      -1.2030      0.00000
    111      -1.1726      0.00000
    112      -0.7196      0.00000
    113      -0.5034      0.00000
    114      -0.4119      0.00000
    115      -0.3397      0.00000
    116      -0.1460      0.00000
    117      -0.0027      0.00000
    118       0.1933      0.00000
    119       0.5606      0.00000
    120       0.6123      0.00000
    121       0.7908      0.00000
    122       0.9002      0.00000
    123       1.1255      0.00000
    124       1.4848      0.00000
    125       1.6294      0.00000
    126       1.8404      0.00000
    127       1.9204      0.00000
    128       2.0987      0.00000
    129       2.1074      0.00000
    130       2.1754      0.00000
    131       2.1976      0.00000
    132       2.2796      0.00000
    133       2.3509      0.00000
    134       2.4768      0.00000
    135       2.5833      0.00000
    136       2.6528      0.00000
    137       2.8485      0.00000
    138       2.8709      0.00000
    139       2.8898      0.00000
    140       3.0244      0.00000
    141       3.0291      0.00000
    142       3.1329      0.00000
    143       3.2000      0.00000
    144       3.2378      0.00000
    145       3.2758      0.00000
    146       3.2786      0.00000
    147       3.2973      0.00000
    148       3.3421      0.00000
    149       3.4159      0.00000
    150       3.4377      0.00000
    151       3.5447      0.00000
    152       3.6208      0.00000
    153       3.7288      0.00000
    154       3.7470      0.00000
    155       3.7637      0.00000
    156       3.8887      0.00000
    157       3.9431      0.00000
    158       4.0019      0.00000
    159       4.1189      0.00000
    160       4.2154      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3190      1.00000
      2     -21.9660      1.00000
      3     -21.8938      1.00000
      4     -21.3861      1.00000
      5     -21.3498      1.00000
      6     -20.8410      1.00000
      7     -20.7746      1.00000
      8     -20.6265      1.00000
      9     -20.0909      1.00000
     10     -20.0621      1.00000
     11     -19.7198      1.00000
     12     -19.6910      1.00000
     13     -19.0110      1.00000
     14     -18.9799      1.00000
     15     -18.6509      1.00000
     16     -18.6181      1.00000
     17     -18.4618      1.00000
     18     -17.6614      1.00000
     19     -17.6478      1.00000
     20     -17.6116      1.00000
     21     -17.5790      1.00000
     22     -17.1381      1.00000
     23     -17.0982      1.00000
     24     -16.9664      1.00000
     25     -16.0087      1.00000
     26     -15.9239      1.00000
     27     -15.6000      1.00000
     28     -15.5764      1.00000
     29     -15.2803      1.00000
     30     -14.8776      1.00000
     31     -14.8305      1.00000
     32     -14.5754      1.00000
     33     -14.5376      1.00000
     34     -14.1643      1.00000
     35     -14.1603      1.00000
     36     -13.1627      1.00000
     37     -13.0971      1.00000
     38     -13.0239      1.00000
     39     -13.0189      1.00000
     40     -12.7185      1.00000
     41     -12.6953      1.00000
     42     -12.3415      1.00000
     43     -12.3143      1.00000
     44     -11.6316      1.00000
     45     -11.6224      1.00000
     46     -11.5706      1.00000
     47     -10.9411      1.00000
     48     -10.9233      1.00000
     49     -10.6696      1.00000
     50     -10.5902      1.00000
     51     -10.5738      1.00000
     52     -10.5008      1.00000
     53     -10.4899      1.00000
     54     -10.4394      1.00000
     55     -10.3570      1.00000
     56     -10.1049      1.00000
     57      -9.8989      1.00000
     58      -9.6094      1.00000
     59      -9.5521      1.00000
     60      -9.4552      1.00000
     61      -9.4177      1.00000
     62      -9.4100      1.00000
     63      -9.3801      1.00000
     64      -9.3729      1.00000
     65      -9.2685      1.00000
     66      -9.1649      1.00000
     67      -9.1410      1.00000
     68      -9.1156      1.00000
     69      -8.8662      1.00000
     70      -8.8599      1.00000
     71      -8.8033      1.00000
     72      -8.5973      1.00000
     73      -8.5275      1.00000
     74      -8.1930      1.00000
     75      -8.1704      1.00000
     76      -8.0767      1.00000
     77      -7.8582      1.00000
     78      -7.8372      1.00000
     79      -7.8245      1.00000
     80      -7.7105      1.00000
     81      -7.6960      1.00000
     82      -7.5984      1.00000
     83      -7.5307      1.00000
     84      -7.3511      1.00000
     85      -7.1688      1.00000
     86      -6.9048      1.00000
     87      -6.8957      1.00000
     88      -6.5931      1.00000
     89      -6.5520      1.00000
     90      -6.4062      1.00000
     91      -6.3027      1.00000
     92      -6.2480      1.00000
     93      -6.2004      1.00000
     94      -6.0044      1.00000
     95      -5.5322      1.00000
     96      -5.4656      1.00000
     97      -5.3145      1.00000
     98      -5.2098      1.00000
     99      -5.0472      1.00000
    100      -4.7238      1.00000
    101      -4.6718      1.00000
    102      -4.4244      1.00000
    103      -4.1952      1.00000
    104      -3.8431      1.00000
    105      -3.6347      1.00000
    106      -3.4165      1.00000
    107      -2.2924      0.00000
    108      -1.5092      0.00000
    109      -1.2700      0.00000
    110      -1.2624      0.00000
    111      -1.0344      0.00000
    112      -0.9782      0.00000
    113      -0.8681      0.00000
    114      -0.7999      0.00000
    115      -0.2621      0.00000
    116       0.2045      0.00000
    117       0.2395      0.00000
    118       0.3593      0.00000
    119       0.6846      0.00000
    120       0.8936      0.00000
    121       0.9232      0.00000
    122       1.0358      0.00000
    123       1.1609      0.00000
    124       1.5041      0.00000
    125       1.5502      0.00000
    126       1.7059      0.00000
    127       1.7779      0.00000
    128       1.8341      0.00000
    129       1.9630      0.00000
    130       1.9802      0.00000
    131       2.1903      0.00000
    132       2.2515      0.00000
    133       2.4055      0.00000
    134       2.4899      0.00000
    135       2.5452      0.00000
    136       2.5997      0.00000
    137       2.6188      0.00000
    138       2.6912      0.00000
    139       2.7610      0.00000
    140       2.8554      0.00000
    141       3.0283      0.00000
    142       3.0798      0.00000
    143       3.1924      0.00000
    144       3.2567      0.00000
    145       3.2738      0.00000
    146       3.3041      0.00000
    147       3.3632      0.00000
    148       3.4460      0.00000
    149       3.5115      0.00000
    150       3.6853      0.00000
    151       3.7160      0.00000
    152       3.7411      0.00000
    153       3.8261      0.00000
    154       3.8944      0.00000
    155       3.9310      0.00000
    156       3.9780      0.00000
    157       4.0072      0.00000
    158       4.0490      0.00000
    159       4.0619      0.00000
    160       4.0934      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3912      1.00000
      2     -21.8324      1.00000
      3     -21.6430      1.00000
      4     -21.6079      1.00000
      5     -21.2803      1.00000
      6     -21.2333      1.00000
      7     -21.0580      1.00000
      8     -20.1729      1.00000
      9     -20.1267      1.00000
     10     -19.6180      1.00000
     11     -19.5919      1.00000
     12     -19.4170      1.00000
     13     -19.0958      1.00000
     14     -19.0571      1.00000
     15     -19.0526      1.00000
     16     -19.0400      1.00000
     17     -18.3677      1.00000
     18     -18.3480      1.00000
     19     -18.0178      1.00000
     20     -17.0732      1.00000
     21     -17.0244      1.00000
     22     -16.9504      1.00000
     23     -16.9366      1.00000
     24     -16.4753      1.00000
     25     -16.4633      1.00000
     26     -15.6101      1.00000
     27     -15.6096      1.00000
     28     -15.2504      1.00000
     29     -15.2384      1.00000
     30     -15.1927      1.00000
     31     -15.1025      1.00000
     32     -15.0696      1.00000
     33     -14.6987      1.00000
     34     -14.6978      1.00000
     35     -13.7253      1.00000
     36     -13.7252      1.00000
     37     -13.2362      1.00000
     38     -12.6247      1.00000
     39     -12.5807      1.00000
     40     -12.4557      1.00000
     41     -12.4504      1.00000
     42     -12.1050      1.00000
     43     -12.1002      1.00000
     44     -11.7216      1.00000
     45     -11.6830      1.00000
     46     -11.2454      1.00000
     47     -11.2249      1.00000
     48     -11.0184      1.00000
     49     -11.0068      1.00000
     50     -10.9278      1.00000
     51     -10.8991      1.00000
     52     -10.6381      1.00000
     53     -10.1731      1.00000
     54     -10.1501      1.00000
     55     -10.0855      1.00000
     56      -9.9931      1.00000
     57      -9.6966      1.00000
     58      -9.6900      1.00000
     59      -9.6713      1.00000
     60      -9.5913      1.00000
     61      -9.5671      1.00000
     62      -9.5546      1.00000
     63      -9.3134      1.00000
     64      -9.3007      1.00000
     65      -9.2841      1.00000
     66      -9.2425      1.00000
     67      -9.1231      1.00000
     68      -9.1131      1.00000
     69      -9.1114      1.00000
     70      -8.9405      1.00000
     71      -8.8747      1.00000
     72      -8.6045      1.00000
     73      -8.5856      1.00000
     74      -8.2718      1.00000
     75      -8.1019      1.00000
     76      -7.8669      1.00000
     77      -7.8443      1.00000
     78      -7.7912      1.00000
     79      -7.7651      1.00000
     80      -7.7561      1.00000
     81      -7.4479      1.00000
     82      -7.3350      1.00000
     83      -7.3237      1.00000
     84      -7.2667      1.00000
     85      -7.1633      1.00000
     86      -7.0141      1.00000
     87      -6.9873      1.00000
     88      -6.7182      1.00000
     89      -6.6912      1.00000
     90      -6.6322      1.00000
     91      -6.5912      1.00000
     92      -6.1182      1.00000
     93      -6.0588      1.00000
     94      -6.0451      1.00000
     95      -6.0282      1.00000
     96      -5.7483      1.00000
     97      -4.9750      1.00000
     98      -4.8398      1.00000
     99      -4.7093      1.00000
    100      -4.6736      1.00000
    101      -4.4841      1.00000
    102      -4.3525      1.00000
    103      -4.1123      1.00000
    104      -4.0558      1.00000
    105      -3.7553      1.00000
    106      -3.4656      1.00000
    107      -1.9503      0.00000
    108      -1.7711      0.00000
    109      -1.4798      0.00000
    110      -1.3555      0.00000
    111      -1.3361      0.00000
    112      -1.2929      0.00000
    113      -0.6789      0.00000
    114      -0.4722      0.00000
    115      -0.2352      0.00000
    116       0.0510      0.00000
    117       0.5803      0.00000
    118       0.6927      0.00000
    119       0.7698      0.00000
    120       1.0217      0.00000
    121       1.0969      0.00000
    122       1.1746      0.00000
    123       1.2475      0.00000
    124       1.3305      0.00000
    125       1.4256      0.00000
    126       1.5882      0.00000
    127       1.7706      0.00000
    128       1.8392      0.00000
    129       1.8624      0.00000
    130       1.8845      0.00000
    131       2.0481      0.00000
    132       2.2107      0.00000
    133       2.2214      0.00000
    134       2.2768      0.00000
    135       2.4761      0.00000
    136       2.6121      0.00000
    137       2.6594      0.00000
    138       2.7395      0.00000
    139       2.8022      0.00000
    140       2.8359      0.00000
    141       2.8460      0.00000
    142       2.8940      0.00000
    143       2.9618      0.00000
    144       3.0719      0.00000
    145       3.3131      0.00000
    146       3.3596      0.00000
    147       3.4200      0.00000
    148       3.4278      0.00000
    149       3.4330      0.00000
    150       3.6093      0.00000
    151       3.6658      0.00000
    152       3.6796      0.00000
    153       3.7294      0.00000
    154       3.8942      0.00000
    155       3.9205      0.00000
    156       3.9574      0.00000
    157       4.1039      0.00000
    158       4.2041      0.00000
    159       4.2621      0.00000
    160       4.2816      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2113      1.00000
      2     -22.1206      1.00000
      3     -21.9582      1.00000
      4     -21.4060      1.00000
      5     -21.0475      1.00000
      6     -21.0192      1.00000
      7     -20.4973      1.00000
      8     -20.4674      1.00000
      9     -20.2876      1.00000
     10     -20.2856      1.00000
     11     -19.9578      1.00000
     12     -19.8947      1.00000
     13     -18.8843      1.00000
     14     -18.8167      1.00000
     15     -18.3387      1.00000
     16     -18.3198      1.00000
     17     -18.1500      1.00000
     18     -18.1425      1.00000
     19     -17.8167      1.00000
     20     -17.7988      1.00000
     21     -17.2587      1.00000
     22     -17.2392      1.00000
     23     -17.1609      1.00000
     24     -17.1360      1.00000
     25     -16.1179      1.00000
     26     -15.8812      1.00000
     27     -15.8701      1.00000
     28     -15.8409      1.00000
     29     -15.2313      1.00000
     30     -14.5512      1.00000
     31     -14.5328      1.00000
     32     -14.2760      1.00000
     33     -13.9758      1.00000
     34     -13.9522      1.00000
     35     -13.8255      1.00000
     36     -13.8031      1.00000
     37     -13.6043      1.00000
     38     -13.5791      1.00000
     39     -13.3715      1.00000
     40     -12.6400      1.00000
     41     -12.1689      1.00000
     42     -12.1426      1.00000
     43     -12.0683      1.00000
     44     -12.0216      1.00000
     45     -11.6657      1.00000
     46     -11.6610      1.00000
     47     -11.1366      1.00000
     48     -11.1255      1.00000
     49     -10.7901      1.00000
     50     -10.7340      1.00000
     51     -10.5365      1.00000
     52     -10.2092      1.00000
     53     -10.2029      1.00000
     54     -10.1716      1.00000
     55     -10.0235      1.00000
     56      -9.9953      1.00000
     57      -9.9908      1.00000
     58      -9.8056      1.00000
     59      -9.7967      1.00000
     60      -9.7648      1.00000
     61      -9.7568      1.00000
     62      -9.4539      1.00000
     63      -9.4182      1.00000
     64      -9.0854      1.00000
     65      -9.0464      1.00000
     66      -9.0264      1.00000
     67      -8.9693      1.00000
     68      -8.8985      1.00000
     69      -8.7087      1.00000
     70      -8.6994      1.00000
     71      -8.5594      1.00000
     72      -8.5487      1.00000
     73      -8.4785      1.00000
     74      -8.4597      1.00000
     75      -8.4571      1.00000
     76      -8.3090      1.00000
     77      -8.0958      1.00000
     78      -8.0900      1.00000
     79      -7.9271      1.00000
     80      -7.8328      1.00000
     81      -7.6016      1.00000
     82      -7.5362      1.00000
     83      -7.4447      1.00000
     84      -7.3150      1.00000
     85      -6.9944      1.00000
     86      -6.9196      1.00000
     87      -6.8827      1.00000
     88      -6.5269      1.00000
     89      -6.5150      1.00000
     90      -6.4805      1.00000
     91      -6.4210      1.00000
     92      -5.9276      1.00000
     93      -5.9057      1.00000
     94      -5.7891      1.00000
     95      -5.7753      1.00000
     96      -5.3697      1.00000
     97      -5.3636      1.00000
     98      -5.2206      1.00000
     99      -5.2157      1.00000
    100      -5.1992      1.00000
    101      -4.7206      1.00000
    102      -4.4429      1.00000
    103      -4.1913      1.00000
    104      -3.8207      1.00000
    105      -3.5656      1.00000
    106      -3.2218      1.00000
    107      -2.5625      0.00000
    108      -1.4630      0.00000
    109      -1.2678      0.00000
    110      -1.1851      0.00000
    111      -1.1836      0.00000
    112      -0.6448      0.00000
    113      -0.5515      0.00000
    114      -0.4146      0.00000
    115      -0.3473      0.00000
    116      -0.0779      0.00000
    117      -0.0635      0.00000
    118       0.1253      0.00000
    119       0.5933      0.00000
    120       0.6259      0.00000
    121       0.8486      0.00000
    122       0.9783      0.00000
    123       0.9981      0.00000
    124       1.4891      0.00000
    125       1.6784      0.00000
    126       1.7512      0.00000
    127       1.8510      0.00000
    128       2.1031      0.00000
    129       2.1695      0.00000
    130       2.1948      0.00000
    131       2.2102      0.00000
    132       2.2612      0.00000
    133       2.3636      0.00000
    134       2.4874      0.00000
    135       2.5263      0.00000
    136       2.6576      0.00000
    137       2.8524      0.00000
    138       2.8579      0.00000
    139       2.9485      0.00000
    140       3.0139      0.00000
    141       3.0398      0.00000
    142       3.1285      0.00000
    143       3.2146      0.00000
    144       3.2402      0.00000
    145       3.2566      0.00000
    146       3.2798      0.00000
    147       3.2989      0.00000
    148       3.3494      0.00000
    149       3.4115      0.00000
    150       3.5428      0.00000
    151       3.5601      0.00000
    152       3.6388      0.00000
    153       3.6606      0.00000
    154       3.7236      0.00000
    155       3.7441      0.00000
    156       3.8904      0.00000
    157       3.9649      0.00000
    158       4.0317      0.00000
    159       4.0643      0.00000
    160       4.1745      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2848      1.00000
      2     -22.0802      1.00000
      3     -21.7218      1.00000
      4     -21.6825      1.00000
      5     -20.9842      1.00000
      6     -20.9365      1.00000
      7     -20.6128      1.00000
      8     -20.5806      1.00000
      9     -20.5670      1.00000
     10     -20.0336      1.00000
     11     -19.5144      1.00000
     12     -19.4844      1.00000
     13     -19.3124      1.00000
     14     -19.2995      1.00000
     15     -18.4508      1.00000
     16     -18.4076      1.00000
     17     -17.9284      1.00000
     18     -17.9081      1.00000
     19     -17.7670      1.00000
     20     -17.7221      1.00000
     21     -17.4424      1.00000
     22     -17.4240      1.00000
     23     -17.3390      1.00000
     24     -16.4714      1.00000
     25     -16.4611      1.00000
     26     -15.9718      1.00000
     27     -15.4115      1.00000
     28     -15.4105      1.00000
     29     -15.0964      1.00000
     30     -15.0933      1.00000
     31     -14.8534      1.00000
     32     -14.8413      1.00000
     33     -14.2986      1.00000
     34     -14.2550      1.00000
     35     -13.4449      1.00000
     36     -13.4012      1.00000
     37     -13.1753      1.00000
     38     -13.1740      1.00000
     39     -12.9867      1.00000
     40     -12.9779      1.00000
     41     -12.6108      1.00000
     42     -12.6088      1.00000
     43     -12.1976      1.00000
     44     -11.5795      1.00000
     45     -11.5384      1.00000
     46     -11.3135      1.00000
     47     -11.2831      1.00000
     48     -11.1428      1.00000
     49     -10.6924      1.00000
     50     -10.6631      1.00000
     51     -10.5478      1.00000
     52     -10.3230      1.00000
     53     -10.3153      1.00000
     54     -10.1766      1.00000
     55     -10.1212      1.00000
     56     -10.1079      1.00000
     57      -9.8123      1.00000
     58      -9.7533      1.00000
     59      -9.7526      1.00000
     60      -9.7029      1.00000
     61      -9.6989      1.00000
     62      -9.6478      1.00000
     63      -9.3532      1.00000
     64      -9.3517      1.00000
     65      -9.3174      1.00000
     66      -9.0286      1.00000
     67      -8.9619      1.00000
     68      -8.9581      1.00000
     69      -8.7762      1.00000
     70      -8.5911      1.00000
     71      -8.5890      1.00000
     72      -8.4244      1.00000
     73      -8.3503      1.00000
     74      -8.3223      1.00000
     75      -8.3022      1.00000
     76      -8.2656      1.00000
     77      -8.2536      1.00000
     78      -8.2389      1.00000
     79      -7.9223      1.00000
     80      -7.7348      1.00000
     81      -7.3801      1.00000
     82      -7.3507      1.00000
     83      -7.3244      1.00000
     84      -7.2179      1.00000
     85      -7.1608      1.00000
     86      -7.0659      1.00000
     87      -6.9613      1.00000
     88      -6.9059      1.00000
     89      -6.6125      1.00000
     90      -6.5572      1.00000
     91      -6.2701      1.00000
     92      -5.9972      1.00000
     93      -5.9598      1.00000
     94      -5.6756      1.00000
     95      -5.6490      1.00000
     96      -5.3878      1.00000
     97      -5.3153      1.00000
     98      -5.2942      1.00000
     99      -5.2123      1.00000
    100      -5.2007      1.00000
    101      -4.5120      1.00000
    102      -4.3390      1.00000
    103      -3.9968      1.00000
    104      -3.8862      1.00000
    105      -3.7932      1.00000
    106      -3.4435      1.00000
    107      -2.0342      0.00000
    108      -1.8634      0.00000
    109      -1.2176      0.00000
    110      -1.1847      0.00000
    111      -1.0357      0.00000
    112      -0.7722      0.00000
    113      -0.6774      0.00000
    114      -0.6598      0.00000
    115      -0.6098      0.00000
    116      -0.1023      0.00000
    117       0.2224      0.00000
    118       0.2390      0.00000
    119       0.7623      0.00000
    120       0.9777      0.00000
    121       1.0726      0.00000
    122       1.2399      0.00000
    123       1.2497      0.00000
    124       1.3358      0.00000
    125       1.5748      0.00000
    126       1.5851      0.00000
    127       1.6920      0.00000
    128       1.7962      0.00000
    129       1.9368      0.00000
    130       1.9494      0.00000
    131       2.1043      0.00000
    132       2.3096      0.00000
    133       2.3439      0.00000
    134       2.4080      0.00000
    135       2.5342      0.00000
    136       2.6248      0.00000
    137       2.7894      0.00000
    138       2.8360      0.00000
    139       2.8513      0.00000
    140       2.8691      0.00000
    141       3.0512      0.00000
    142       3.0930      0.00000
    143       3.1414      0.00000
    144       3.2178      0.00000
    145       3.3711      0.00000
    146       3.4091      0.00000
    147       3.5011      0.00000
    148       3.5495      0.00000
    149       3.5881      0.00000
    150       3.6144      0.00000
    151       3.6448      0.00000
    152       3.7316      0.00000
    153       3.7379      0.00000
    154       3.7839      0.00000
    155       3.8387      0.00000
    156       3.8788      0.00000
    157       4.0172      0.00000
    158       4.0810      0.00000
    159       4.1629      0.00000
    160       4.2029      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4279      1.00000
      2     -21.6046      1.00000
      3     -21.4830      1.00000
      4     -21.4738      1.00000
      5     -21.4423      1.00000
      6     -21.4415      1.00000
      7     -21.4314      1.00000
      8     -19.7087      1.00000
      9     -19.6539      1.00000
     10     -19.6305      1.00000
     11     -19.6195      1.00000
     12     -19.6142      1.00000
     13     -19.6133      1.00000
     14     -18.7907      1.00000
     15     -18.7558      1.00000
     16     -18.7359      1.00000
     17     -18.7263      1.00000
     18     -18.7193      1.00000
     19     -18.7138      1.00000
     20     -16.6355      1.00000
     21     -16.6097      1.00000
     22     -16.5852      1.00000
     23     -16.5817      1.00000
     24     -16.5548      1.00000
     25     -16.5531      1.00000
     26     -15.6157      1.00000
     27     -15.6026      1.00000
     28     -15.5994      1.00000
     29     -15.5654      1.00000
     30     -15.5636      1.00000
     31     -15.5631      1.00000
     32     -14.2605      1.00000
     33     -14.2512      1.00000
     34     -14.2410      1.00000
     35     -14.2360      1.00000
     36     -14.2230      1.00000
     37     -14.2201      1.00000
     38     -11.9059      1.00000
     39     -11.8789      1.00000
     40     -11.8676      1.00000
     41     -11.8659      1.00000
     42     -11.8451      1.00000
     43     -11.8449      1.00000
     44     -11.7717      1.00000
     45     -11.7688      1.00000
     46     -11.7364      1.00000
     47     -11.7296      1.00000
     48     -11.7250      1.00000
     49     -11.7230      1.00000
     50     -10.6770      1.00000
     51     -10.3892      1.00000
     52     -10.3839      1.00000
     53     -10.3770      1.00000
     54     -10.3695      1.00000
     55     -10.3558      1.00000
     56     -10.3539      1.00000
     57      -9.9048      1.00000
     58      -9.4514      1.00000
     59      -9.4064      1.00000
     60      -9.3634      1.00000
     61      -9.3628      1.00000
     62      -9.3550      1.00000
     63      -9.1426      1.00000
     64      -9.1213      1.00000
     65      -9.1213      1.00000
     66      -9.0845      1.00000
     67      -9.0720      1.00000
     68      -9.0715      1.00000
     69      -9.0715      1.00000
     70      -9.0640      1.00000
     71      -9.0638      1.00000
     72      -9.0384      1.00000
     73      -9.0290      1.00000
     74      -9.0255      1.00000
     75      -8.1310      1.00000
     76      -7.7461      1.00000
     77      -7.4682      1.00000
     78      -7.4667      1.00000
     79      -7.4537      1.00000
     80      -7.4339      1.00000
     81      -7.4246      1.00000
     82      -7.4066      1.00000
     83      -7.3134      1.00000
     84      -7.2715      1.00000
     85      -7.2579      1.00000
     86      -7.2495      1.00000
     87      -7.1516      1.00000
     88      -7.0502      1.00000
     89      -6.4467      1.00000
     90      -6.4164      1.00000
     91      -6.4008      1.00000
     92      -6.3641      1.00000
     93      -6.3533      1.00000
     94      -6.3412      1.00000
     95      -5.9588      1.00000
     96      -5.9573      1.00000
     97      -4.8067      1.00000
     98      -4.5445      1.00000
     99      -4.4816      1.00000
    100      -4.4745      1.00000
    101      -4.3824      1.00000
    102      -4.3818      1.00000
    103      -4.2684      1.00000
    104      -4.1876      1.00000
    105      -3.7396      1.00000
    106      -3.4778      1.00000
    107      -1.8616      0.00000
    108      -1.6709      0.00000
    109      -1.6243      0.00000
    110      -1.5914      0.00000
    111      -1.5759      0.00000
    112      -1.5750      0.00000
    113      -0.4293      0.00000
    114       0.1453      0.00000
    115       0.1923      0.00000
    116       0.2559      0.00000
    117       0.2673      0.00000
    118       0.2714      0.00000
    119       0.4765      0.00000
    120       0.5404      0.00000
    121       1.2421      0.00000
    122       1.2879      0.00000
    123       1.5266      0.00000
    124       1.7645      0.00000
    125       1.7674      0.00000
    126       1.7674      0.00000
    127       1.8176      0.00000
    128       1.8273      0.00000
    129       1.9591      0.00000
    130       1.9669      0.00000
    131       1.9744      0.00000
    132       1.9894      0.00000
    133       1.9966      0.00000
    134       2.0718      0.00000
    135       2.2389      0.00000
    136       2.3467      0.00000
    137       2.5956      0.00000
    138       2.5988      0.00000
    139       2.6225      0.00000
    140       2.7132      0.00000
    141       2.9306      0.00000
    142       3.0622      0.00000
    143       3.0840      0.00000
    144       3.1107      0.00000
    145       3.1220      0.00000
    146       3.1256      0.00000
    147       3.1304      0.00000
    148       3.2726      0.00000
    149       3.4563      0.00000
    150       3.5047      0.00000
    151       3.8317      0.00000
    152       3.9647      0.00000
    153       3.9687      0.00000
    154       3.9724      0.00000
    155       3.9792      0.00000
    156       3.9977      0.00000
    157       4.1862      0.00000
    158       4.2579      0.00000
    159       4.2727      0.00000
    160       4.2793      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3913      1.00000
      2     -21.8321      1.00000
      3     -21.6398      1.00000
      4     -21.6120      1.00000
      5     -21.2762      1.00000
      6     -21.2367      1.00000
      7     -21.0583      1.00000
      8     -20.1690      1.00000
      9     -20.1308      1.00000
     10     -19.6099      1.00000
     11     -19.5988      1.00000
     12     -19.4183      1.00000
     13     -19.0908      1.00000
     14     -19.0611      1.00000
     15     -19.0500      1.00000
     16     -19.0427      1.00000
     17     -18.3616      1.00000
     18     -18.3533      1.00000
     19     -18.0199      1.00000
     20     -17.0699      1.00000
     21     -17.0311      1.00000
     22     -16.9445      1.00000
     23     -16.9408      1.00000
     24     -16.4686      1.00000
     25     -16.4639      1.00000
     26     -15.6153      1.00000
     27     -15.6081      1.00000
     28     -15.2535      1.00000
     29     -15.2442      1.00000
     30     -15.1854      1.00000
     31     -15.0984      1.00000
     32     -15.0717      1.00000
     33     -14.6994      1.00000
     34     -14.6973      1.00000
     35     -13.7271      1.00000
     36     -13.7246      1.00000
     37     -13.2360      1.00000
     38     -12.6144      1.00000
     39     -12.5842      1.00000
     40     -12.4548      1.00000
     41     -12.4513      1.00000
     42     -12.1096      1.00000
     43     -12.1052      1.00000
     44     -11.7181      1.00000
     45     -11.6872      1.00000
     46     -11.2355      1.00000
     47     -11.2260      1.00000
     48     -11.0181      1.00000
     49     -11.0101      1.00000
     50     -10.9274      1.00000
     51     -10.9058      1.00000
     52     -10.6321      1.00000
     53     -10.1551      1.00000
     54     -10.1512      1.00000
     55     -10.0918      1.00000
     56      -9.9993      1.00000
     57      -9.7036      1.00000
     58      -9.6950      1.00000
     59      -9.6569      1.00000
     60      -9.5923      1.00000
     61      -9.5774      1.00000
     62      -9.5591      1.00000
     63      -9.3072      1.00000
     64      -9.3034      1.00000
     65      -9.2750      1.00000
     66      -9.2372      1.00000
     67      -9.1376      1.00000
     68      -9.1149      1.00000
     69      -9.1117      1.00000
     70      -8.9406      1.00000
     71      -8.8726      1.00000
     72      -8.6047      1.00000
     73      -8.5909      1.00000
     74      -8.2373      1.00000
     75      -8.1002      1.00000
     76      -7.9139      1.00000
     77      -7.8641      1.00000
     78      -7.7714      1.00000
     79      -7.7569      1.00000
     80      -7.6930      1.00000
     81      -7.5612      1.00000
     82      -7.3385      1.00000
     83      -7.3227      1.00000
     84      -7.2051      1.00000
     85      -7.1242      1.00000
     86      -7.0328      1.00000
     87      -7.0126      1.00000
     88      -6.7050      1.00000
     89      -6.6788      1.00000
     90      -6.6417      1.00000
     91      -6.5983      1.00000
     92      -6.1153      1.00000
     93      -6.0626      1.00000
     94      -6.0314      1.00000
     95      -6.0119      1.00000
     96      -5.7837      1.00000
     97      -4.9748      1.00000
     98      -4.8323      1.00000
     99      -4.7473      1.00000
    100      -4.6796      1.00000
    101      -4.4693      1.00000
    102      -4.2039      1.00000
    103      -4.1720      1.00000
    104      -4.1282      1.00000
    105      -3.7299      1.00000
    106      -3.4879      1.00000
    107      -1.8702      0.00000
    108      -1.8091      0.00000
    109      -1.5243      0.00000
    110      -1.3779      0.00000
    111      -1.3213      0.00000
    112      -1.2880      0.00000
    113      -0.7198      0.00000
    114      -0.3761      0.00000
    115      -0.2502      0.00000
    116       0.0363      0.00000
    117       0.5498      0.00000
    118       0.6971      0.00000
    119       0.7459      0.00000
    120       1.0468      0.00000
    121       1.1001      0.00000
    122       1.1466      0.00000
    123       1.2264      0.00000
    124       1.3724      0.00000
    125       1.5174      0.00000
    126       1.5725      0.00000
    127       1.7110      0.00000
    128       1.8225      0.00000
    129       1.8601      0.00000
    130       1.8806      0.00000
    131       2.0934      0.00000
    132       2.1772      0.00000
    133       2.2356      0.00000
    134       2.2991      0.00000
    135       2.5068      0.00000
    136       2.5791      0.00000
    137       2.6613      0.00000
    138       2.7764      0.00000
    139       2.7996      0.00000
    140       2.8291      0.00000
    141       2.8788      0.00000
    142       2.8982      0.00000
    143       2.9558      0.00000
    144       3.0690      0.00000
    145       3.1471      0.00000
    146       3.3174      0.00000
    147       3.4036      0.00000
    148       3.4483      0.00000
    149       3.4695      0.00000
    150       3.6228      0.00000
    151       3.6504      0.00000
    152       3.6816      0.00000
    153       3.7216      0.00000
    154       3.9107      0.00000
    155       3.9582      0.00000
    156       4.0112      0.00000
    157       4.0639      0.00000
    158       4.2426      0.00000
    159       4.2523      0.00000
    160       4.2738      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2852      1.00000
      2     -22.0796      1.00000
      3     -21.7182      1.00000
      4     -21.6864      1.00000
      5     -20.9809      1.00000
      6     -20.9403      1.00000
      7     -20.6132      1.00000
      8     -20.5766      1.00000
      9     -20.5703      1.00000
     10     -20.0339      1.00000
     11     -19.5046      1.00000
     12     -19.4929      1.00000
     13     -19.3080      1.00000
     14     -19.3029      1.00000
     15     -18.4487      1.00000
     16     -18.4120      1.00000
     17     -17.9232      1.00000
     18     -17.9139      1.00000
     19     -17.7624      1.00000
     20     -17.7267      1.00000
     21     -17.4366      1.00000
     22     -17.4294      1.00000
     23     -17.3416      1.00000
     24     -16.4636      1.00000
     25     -16.4624      1.00000
     26     -15.9678      1.00000
     27     -15.4154      1.00000
     28     -15.4097      1.00000
     29     -15.0976      1.00000
     30     -15.0939      1.00000
     31     -14.8555      1.00000
     32     -14.8479      1.00000
     33     -14.2906      1.00000
     34     -14.2579      1.00000
     35     -13.4369      1.00000
     36     -13.4045      1.00000
     37     -13.1779      1.00000
     38     -13.1747      1.00000
     39     -12.9827      1.00000
     40     -12.9778      1.00000
     41     -12.6134      1.00000
     42     -12.6105      1.00000
     43     -12.1979      1.00000
     44     -11.5774      1.00000
     45     -11.5436      1.00000
     46     -11.3114      1.00000
     47     -11.2886      1.00000
     48     -11.1420      1.00000
     49     -10.6769      1.00000
     50     -10.6604      1.00000
     51     -10.5540      1.00000
     52     -10.3234      1.00000
     53     -10.3182      1.00000
     54     -10.1704      1.00000
     55     -10.1156      1.00000
     56     -10.1129      1.00000
     57      -9.7991      1.00000
     58      -9.7647      1.00000
     59      -9.7525      1.00000
     60      -9.7005      1.00000
     61      -9.6968      1.00000
     62      -9.6631      1.00000
     63      -9.3541      1.00000
     64      -9.3520      1.00000
     65      -9.3160      1.00000
     66      -9.0418      1.00000
     67      -8.9619      1.00000
     68      -8.9501      1.00000
     69      -8.8004      1.00000
     70      -8.5953      1.00000
     71      -8.5584      1.00000
     72      -8.3992      1.00000
     73      -8.3656      1.00000
     74      -8.3247      1.00000
     75      -8.3071      1.00000
     76      -8.2591      1.00000
     77      -8.2572      1.00000
     78      -8.2366      1.00000
     79      -7.9057      1.00000
     80      -7.6519      1.00000
     81      -7.5500      1.00000
     82      -7.3861      1.00000
     83      -7.3492      1.00000
     84      -7.2304      1.00000
     85      -7.0972      1.00000
     86      -7.0396      1.00000
     87      -6.9346      1.00000
     88      -6.8489      1.00000
     89      -6.6128      1.00000
     90      -6.5582      1.00000
     91      -6.2698      1.00000
     92      -6.0443      1.00000
     93      -5.9520      1.00000
     94      -5.6631      1.00000
     95      -5.6230      1.00000
     96      -5.4635      1.00000
     97      -5.3203      1.00000
     98      -5.2792      1.00000
     99      -5.2142      1.00000
    100      -5.1941      1.00000
    101      -4.5090      1.00000
    102      -4.2081      1.00000
    103      -4.0594      1.00000
    104      -3.9893      1.00000
    105      -3.6946      1.00000
    106      -3.4981      1.00000
    107      -1.9463      0.00000
    108      -1.8964      0.00000
    109      -1.3389      0.00000
    110      -1.0848      0.00000
    111      -1.0585      0.00000
    112      -0.8002      0.00000
    113      -0.6779      0.00000
    114      -0.6467      0.00000
    115      -0.6072      0.00000
    116      -0.1084      0.00000
    117       0.2156      0.00000
    118       0.3287      0.00000
    119       0.6879      0.00000
    120       0.8821      0.00000
    121       1.1257      0.00000
    122       1.1986      0.00000
    123       1.3209      0.00000
    124       1.4138      0.00000
    125       1.5518      0.00000
    126       1.5752      0.00000
    127       1.6704      0.00000
    128       1.8062      0.00000
    129       1.8776      0.00000
    130       2.0484      0.00000
    131       2.1400      0.00000
    132       2.3348      0.00000
    133       2.3677      0.00000
    134       2.3869      0.00000
    135       2.5363      0.00000
    136       2.6270      0.00000
    137       2.7236      0.00000
    138       2.7794      0.00000
    139       2.8487      0.00000
    140       2.8832      0.00000
    141       3.0438      0.00000
    142       3.0592      0.00000
    143       3.1559      0.00000
    144       3.2593      0.00000
    145       3.3549      0.00000
    146       3.4106      0.00000
    147       3.4273      0.00000
    148       3.5693      0.00000
    149       3.5860      0.00000
    150       3.6021      0.00000
    151       3.6588      0.00000
    152       3.6695      0.00000
    153       3.7765      0.00000
    154       3.8046      0.00000
    155       3.8277      0.00000
    156       3.8963      0.00000
    157       3.9141      0.00000
    158       3.9914      0.00000
    159       4.2087      0.00000
    160       4.2255      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3192      1.00000
      2     -21.9644      1.00000
      3     -21.8953      1.00000
      4     -21.3825      1.00000
      5     -21.3533      1.00000
      6     -20.8411      1.00000
      7     -20.7758      1.00000
      8     -20.6255      1.00000
      9     -20.0791      1.00000
     10     -20.0733      1.00000
     11     -19.7180      1.00000
     12     -19.6936      1.00000
     13     -18.9977      1.00000
     14     -18.9917      1.00000
     15     -18.6419      1.00000
     16     -18.6259      1.00000
     17     -18.4631      1.00000
     18     -17.6761      1.00000
     19     -17.6257      1.00000
     20     -17.6229      1.00000
     21     -17.5810      1.00000
     22     -17.1274      1.00000
     23     -17.1060      1.00000
     24     -16.9628      1.00000
     25     -16.0023      1.00000
     26     -15.9309      1.00000
     27     -15.5865      1.00000
     28     -15.5862      1.00000
     29     -15.2878      1.00000
     30     -14.8647      1.00000
     31     -14.8376      1.00000
     32     -14.5794      1.00000
     33     -14.5375      1.00000
     34     -14.1697      1.00000
     35     -14.1561      1.00000
     36     -13.1482      1.00000
     37     -13.1012      1.00000
     38     -13.0300      1.00000
     39     -13.0199      1.00000
     40     -12.7093      1.00000
     41     -12.7051      1.00000
     42     -12.3425      1.00000
     43     -12.3112      1.00000
     44     -11.6367      1.00000
     45     -11.6231      1.00000
     46     -11.5731      1.00000
     47     -10.9503      1.00000
     48     -10.9172      1.00000
     49     -10.6329      1.00000
     50     -10.6245      1.00000
     51     -10.5480      1.00000
     52     -10.5004      1.00000
     53     -10.5001      1.00000
     54     -10.4394      1.00000
     55     -10.3603      1.00000
     56     -10.1005      1.00000
     57      -9.9047      1.00000
     58      -9.6082      1.00000
     59      -9.5560      1.00000
     60      -9.4533      1.00000
     61      -9.4127      1.00000
     62      -9.4057      1.00000
     63      -9.3773      1.00000
     64      -9.3768      1.00000
     65      -9.2884      1.00000
     66      -9.1693      1.00000
     67      -9.1437      1.00000
     68      -9.1155      1.00000
     69      -8.8653      1.00000
     70      -8.8577      1.00000
     71      -8.8161      1.00000
     72      -8.5979      1.00000
     73      -8.4809      1.00000
     74      -8.1993      1.00000
     75      -8.1637      1.00000
     76      -8.0099      1.00000
     77      -7.9643      1.00000
     78      -7.8500      1.00000
     79      -7.8401      1.00000
     80      -7.7041      1.00000
     81      -7.6967      1.00000
     82      -7.6230      1.00000
     83      -7.4495      1.00000
     84      -7.3016      1.00000
     85      -7.2539      1.00000
     86      -6.9064      1.00000
     87      -6.8927      1.00000
     88      -6.5894      1.00000
     89      -6.5519      1.00000
     90      -6.4054      1.00000
     91      -6.2540      1.00000
     92      -6.2333      1.00000
     93      -6.2058      1.00000
     94      -6.0235      1.00000
     95      -5.5504      1.00000
     96      -5.4893      1.00000
     97      -5.3507      1.00000
     98      -5.2200      1.00000
     99      -4.9797      1.00000
    100      -4.7329      1.00000
    101      -4.6782      1.00000
    102      -4.3880      1.00000
    103      -4.2034      1.00000
    104      -3.8711      1.00000
    105      -3.5465      1.00000
    106      -3.5101      1.00000
    107      -2.2566      0.00000
    108      -1.4564      0.00000
    109      -1.3717      0.00000
    110      -1.2419      0.00000
    111      -1.0979      0.00000
    112      -0.9449      0.00000
    113      -0.8636      0.00000
    114      -0.8031      0.00000
    115      -0.1398      0.00000
    116       0.1107      0.00000
    117       0.2406      0.00000
    118       0.3774      0.00000
    119       0.6450      0.00000
    120       0.8352      0.00000
    121       0.9364      0.00000
    122       1.0590      0.00000
    123       1.2261      0.00000
    124       1.4436      0.00000
    125       1.5402      0.00000
    126       1.7662      0.00000
    127       1.7928      0.00000
    128       1.8769      0.00000
    129       1.9575      0.00000
    130       2.0459      0.00000
    131       2.1656      0.00000
    132       2.1983      0.00000
    133       2.4042      0.00000
    134       2.4834      0.00000
    135       2.5446      0.00000
    136       2.6039      0.00000
    137       2.6413      0.00000
    138       2.6882      0.00000
    139       2.7808      0.00000
    140       2.8262      0.00000
    141       2.9404      0.00000
    142       3.0822      0.00000
    143       3.1931      0.00000
    144       3.2270      0.00000
    145       3.2708      0.00000
    146       3.3306      0.00000
    147       3.3416      0.00000
    148       3.4625      0.00000
    149       3.4888      0.00000
    150       3.6959      0.00000
    151       3.7033      0.00000
    152       3.7224      0.00000
    153       3.8513      0.00000
    154       3.9145      0.00000
    155       3.9470      0.00000
    156       3.9791      0.00000
    157       4.0278      0.00000
    158       4.0318      0.00000
    159       4.0478      0.00000
    160       4.0846      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2122      1.00000
      2     -22.1192      1.00000
      3     -21.9585      1.00000
      4     -21.4060      1.00000
      5     -21.0513      1.00000
      6     -21.0154      1.00000
      7     -20.5021      1.00000
      8     -20.4627      1.00000
      9     -20.2963      1.00000
     10     -20.2770      1.00000
     11     -19.9590      1.00000
     12     -19.8932      1.00000
     13     -18.8838      1.00000
     14     -18.8151      1.00000
     15     -18.3539      1.00000
     16     -18.3077      1.00000
     17     -18.1541      1.00000
     18     -18.1370      1.00000
     19     -17.8278      1.00000
     20     -17.7902      1.00000
     21     -17.2526      1.00000
     22     -17.2426      1.00000
     23     -17.1655      1.00000
     24     -17.1338      1.00000
     25     -16.1110      1.00000
     26     -15.8868      1.00000
     27     -15.8713      1.00000
     28     -15.8351      1.00000
     29     -15.2372      1.00000
     30     -14.5561      1.00000
     31     -14.5281      1.00000
     32     -14.2808      1.00000
     33     -13.9643      1.00000
     34     -13.9568      1.00000
     35     -13.8208      1.00000
     36     -13.8050      1.00000
     37     -13.6154      1.00000
     38     -13.5716      1.00000
     39     -13.3712      1.00000
     40     -12.6354      1.00000
     41     -12.1817      1.00000
     42     -12.1336      1.00000
     43     -12.0732      1.00000
     44     -12.0209      1.00000
     45     -11.6699      1.00000
     46     -11.6564      1.00000
     47     -11.1395      1.00000
     48     -11.1189      1.00000
     49     -10.7956      1.00000
     50     -10.7320      1.00000
     51     -10.5298      1.00000
     52     -10.2086      1.00000
     53     -10.2065      1.00000
     54     -10.1659      1.00000
     55     -10.0182      1.00000
     56     -10.0051      1.00000
     57      -9.9913      1.00000
     58      -9.8018      1.00000
     59      -9.7977      1.00000
     60      -9.7626      1.00000
     61      -9.7577      1.00000
     62      -9.4554      1.00000
     63      -9.4184      1.00000
     64      -9.0813      1.00000
     65      -9.0726      1.00000
     66      -9.0412      1.00000
     67      -8.9558      1.00000
     68      -8.8782      1.00000
     69      -8.7124      1.00000
     70      -8.7000      1.00000
     71      -8.5665      1.00000
     72      -8.5436      1.00000
     73      -8.5001      1.00000
     74      -8.4626      1.00000
     75      -8.4541      1.00000
     76      -8.2612      1.00000
     77      -8.1263      1.00000
     78      -8.0441      1.00000
     79      -7.9157      1.00000
     80      -7.8639      1.00000
     81      -7.6156      1.00000
     82      -7.5491      1.00000
     83      -7.4909      1.00000
     84      -7.2689      1.00000
     85      -6.9949      1.00000
     86      -6.9229      1.00000
     87      -6.8818      1.00000
     88      -6.5327      1.00000
     89      -6.4874      1.00000
     90      -6.4618      1.00000
     91      -6.4107      1.00000
     92      -5.9844      1.00000
     93      -5.8979      1.00000
     94      -5.7850      1.00000
     95      -5.7600      1.00000
     96      -5.4325      1.00000
     97      -5.3296      1.00000
     98      -5.2306      1.00000
     99      -5.2181      1.00000
    100      -5.1886      1.00000
    101      -4.6924      1.00000
    102      -4.4220      1.00000
    103      -4.2099      1.00000
    104      -3.8344      1.00000
    105      -3.5292      1.00000
    106      -3.2743      1.00000
    107      -2.5313      0.00000
    108      -1.4579      0.00000
    109      -1.2669      0.00000
    110      -1.2030      0.00000
    111      -1.1726      0.00000
    112      -0.7196      0.00000
    113      -0.5034      0.00000
    114      -0.4119      0.00000
    115      -0.3397      0.00000
    116      -0.1460      0.00000
    117      -0.0027      0.00000
    118       0.1933      0.00000
    119       0.5606      0.00000
    120       0.6123      0.00000
    121       0.7908      0.00000
    122       0.9002      0.00000
    123       1.1255      0.00000
    124       1.4848      0.00000
    125       1.6294      0.00000
    126       1.8404      0.00000
    127       1.9205      0.00000
    128       2.0987      0.00000
    129       2.1075      0.00000
    130       2.1755      0.00000
    131       2.1977      0.00000
    132       2.2796      0.00000
    133       2.3510      0.00000
    134       2.4768      0.00000
    135       2.5834      0.00000
    136       2.6529      0.00000
    137       2.8485      0.00000
    138       2.8709      0.00000
    139       2.8898      0.00000
    140       3.0245      0.00000
    141       3.0291      0.00000
    142       3.1329      0.00000
    143       3.2001      0.00000
    144       3.2379      0.00000
    145       3.2759      0.00000
    146       3.2786      0.00000
    147       3.2973      0.00000
    148       3.3421      0.00000
    149       3.4159      0.00000
    150       3.4378      0.00000
    151       3.5447      0.00000
    152       3.6209      0.00000
    153       3.7290      0.00000
    154       3.7471      0.00000
    155       3.7637      0.00000
    156       3.8888      0.00000
    157       3.9432      0.00000
    158       4.0020      0.00000
    159       4.1190      0.00000
    160       4.2154      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3190      1.00000
      2     -21.9660      1.00000
      3     -21.8938      1.00000
      4     -21.3861      1.00000
      5     -21.3498      1.00000
      6     -20.8410      1.00000
      7     -20.7746      1.00000
      8     -20.6265      1.00000
      9     -20.0909      1.00000
     10     -20.0621      1.00000
     11     -19.7198      1.00000
     12     -19.6910      1.00000
     13     -19.0110      1.00000
     14     -18.9799      1.00000
     15     -18.6509      1.00000
     16     -18.6181      1.00000
     17     -18.4618      1.00000
     18     -17.6614      1.00000
     19     -17.6478      1.00000
     20     -17.6116      1.00000
     21     -17.5790      1.00000
     22     -17.1381      1.00000
     23     -17.0982      1.00000
     24     -16.9664      1.00000
     25     -16.0087      1.00000
     26     -15.9239      1.00000
     27     -15.6000      1.00000
     28     -15.5764      1.00000
     29     -15.2803      1.00000
     30     -14.8776      1.00000
     31     -14.8305      1.00000
     32     -14.5754      1.00000
     33     -14.5376      1.00000
     34     -14.1643      1.00000
     35     -14.1603      1.00000
     36     -13.1627      1.00000
     37     -13.0971      1.00000
     38     -13.0239      1.00000
     39     -13.0189      1.00000
     40     -12.7185      1.00000
     41     -12.6953      1.00000
     42     -12.3415      1.00000
     43     -12.3143      1.00000
     44     -11.6316      1.00000
     45     -11.6224      1.00000
     46     -11.5706      1.00000
     47     -10.9411      1.00000
     48     -10.9233      1.00000
     49     -10.6696      1.00000
     50     -10.5902      1.00000
     51     -10.5738      1.00000
     52     -10.5008      1.00000
     53     -10.4899      1.00000
     54     -10.4394      1.00000
     55     -10.3570      1.00000
     56     -10.1049      1.00000
     57      -9.8989      1.00000
     58      -9.6094      1.00000
     59      -9.5521      1.00000
     60      -9.4552      1.00000
     61      -9.4177      1.00000
     62      -9.4100      1.00000
     63      -9.3801      1.00000
     64      -9.3729      1.00000
     65      -9.2685      1.00000
     66      -9.1649      1.00000
     67      -9.1410      1.00000
     68      -9.1156      1.00000
     69      -8.8662      1.00000
     70      -8.8599      1.00000
     71      -8.8033      1.00000
     72      -8.5973      1.00000
     73      -8.5275      1.00000
     74      -8.1930      1.00000
     75      -8.1704      1.00000
     76      -8.0767      1.00000
     77      -7.8582      1.00000
     78      -7.8372      1.00000
     79      -7.8245      1.00000
     80      -7.7105      1.00000
     81      -7.6960      1.00000
     82      -7.5984      1.00000
     83      -7.5307      1.00000
     84      -7.3511      1.00000
     85      -7.1688      1.00000
     86      -6.9048      1.00000
     87      -6.8957      1.00000
     88      -6.5931      1.00000
     89      -6.5520      1.00000
     90      -6.4062      1.00000
     91      -6.3027      1.00000
     92      -6.2480      1.00000
     93      -6.2004      1.00000
     94      -6.0044      1.00000
     95      -5.5322      1.00000
     96      -5.4656      1.00000
     97      -5.3145      1.00000
     98      -5.2098      1.00000
     99      -5.0472      1.00000
    100      -4.7238      1.00000
    101      -4.6718      1.00000
    102      -4.4244      1.00000
    103      -4.1952      1.00000
    104      -3.8431      1.00000
    105      -3.6347      1.00000
    106      -3.4165      1.00000
    107      -2.2924      0.00000
    108      -1.5092      0.00000
    109      -1.2700      0.00000
    110      -1.2624      0.00000
    111      -1.0344      0.00000
    112      -0.9782      0.00000
    113      -0.8681      0.00000
    114      -0.7999      0.00000
    115      -0.2621      0.00000
    116       0.2045      0.00000
    117       0.2395      0.00000
    118       0.3593      0.00000
    119       0.6846      0.00000
    120       0.8936      0.00000
    121       0.9232      0.00000
    122       1.0358      0.00000
    123       1.1609      0.00000
    124       1.5041      0.00000
    125       1.5502      0.00000
    126       1.7059      0.00000
    127       1.7779      0.00000
    128       1.8342      0.00000
    129       1.9630      0.00000
    130       1.9803      0.00000
    131       2.1903      0.00000
    132       2.2515      0.00000
    133       2.4055      0.00000
    134       2.4900      0.00000
    135       2.5454      0.00000
    136       2.5997      0.00000
    137       2.6188      0.00000
    138       2.6913      0.00000
    139       2.7611      0.00000
    140       2.8554      0.00000
    141       3.0283      0.00000
    142       3.0798      0.00000
    143       3.1925      0.00000
    144       3.2569      0.00000
    145       3.2739      0.00000
    146       3.3042      0.00000
    147       3.3633      0.00000
    148       3.4460      0.00000
    149       3.5115      0.00000
    150       3.6854      0.00000
    151       3.7160      0.00000
    152       3.7411      0.00000
    153       3.8261      0.00000
    154       3.8944      0.00000
    155       3.9310      0.00000
    156       3.9780      0.00000
    157       4.0073      0.00000
    158       4.0491      0.00000
    159       4.0620      0.00000
    160       4.0936      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3912      1.00000
      2     -21.8324      1.00000
      3     -21.6430      1.00000
      4     -21.6079      1.00000
      5     -21.2803      1.00000
      6     -21.2333      1.00000
      7     -21.0580      1.00000
      8     -20.1729      1.00000
      9     -20.1267      1.00000
     10     -19.6180      1.00000
     11     -19.5919      1.00000
     12     -19.4170      1.00000
     13     -19.0958      1.00000
     14     -19.0571      1.00000
     15     -19.0526      1.00000
     16     -19.0400      1.00000
     17     -18.3677      1.00000
     18     -18.3480      1.00000
     19     -18.0178      1.00000
     20     -17.0732      1.00000
     21     -17.0244      1.00000
     22     -16.9504      1.00000
     23     -16.9366      1.00000
     24     -16.4753      1.00000
     25     -16.4633      1.00000
     26     -15.6101      1.00000
     27     -15.6096      1.00000
     28     -15.2504      1.00000
     29     -15.2384      1.00000
     30     -15.1927      1.00000
     31     -15.1025      1.00000
     32     -15.0696      1.00000
     33     -14.6987      1.00000
     34     -14.6978      1.00000
     35     -13.7253      1.00000
     36     -13.7252      1.00000
     37     -13.2362      1.00000
     38     -12.6247      1.00000
     39     -12.5807      1.00000
     40     -12.4557      1.00000
     41     -12.4504      1.00000
     42     -12.1050      1.00000
     43     -12.1002      1.00000
     44     -11.7216      1.00000
     45     -11.6830      1.00000
     46     -11.2454      1.00000
     47     -11.2249      1.00000
     48     -11.0184      1.00000
     49     -11.0068      1.00000
     50     -10.9278      1.00000
     51     -10.8991      1.00000
     52     -10.6381      1.00000
     53     -10.1731      1.00000
     54     -10.1501      1.00000
     55     -10.0855      1.00000
     56      -9.9931      1.00000
     57      -9.6966      1.00000
     58      -9.6900      1.00000
     59      -9.6713      1.00000
     60      -9.5913      1.00000
     61      -9.5671      1.00000
     62      -9.5546      1.00000
     63      -9.3134      1.00000
     64      -9.3007      1.00000
     65      -9.2841      1.00000
     66      -9.2425      1.00000
     67      -9.1231      1.00000
     68      -9.1131      1.00000
     69      -9.1114      1.00000
     70      -8.9405      1.00000
     71      -8.8747      1.00000
     72      -8.6045      1.00000
     73      -8.5856      1.00000
     74      -8.2718      1.00000
     75      -8.1019      1.00000
     76      -7.8669      1.00000
     77      -7.8443      1.00000
     78      -7.7912      1.00000
     79      -7.7651      1.00000
     80      -7.7561      1.00000
     81      -7.4479      1.00000
     82      -7.3350      1.00000
     83      -7.3237      1.00000
     84      -7.2667      1.00000
     85      -7.1633      1.00000
     86      -7.0141      1.00000
     87      -6.9873      1.00000
     88      -6.7182      1.00000
     89      -6.6912      1.00000
     90      -6.6322      1.00000
     91      -6.5912      1.00000
     92      -6.1182      1.00000
     93      -6.0588      1.00000
     94      -6.0451      1.00000
     95      -6.0282      1.00000
     96      -5.7483      1.00000
     97      -4.9750      1.00000
     98      -4.8398      1.00000
     99      -4.7093      1.00000
    100      -4.6736      1.00000
    101      -4.4841      1.00000
    102      -4.3525      1.00000
    103      -4.1123      1.00000
    104      -4.0558      1.00000
    105      -3.7553      1.00000
    106      -3.4656      1.00000
    107      -1.9503      0.00000
    108      -1.7711      0.00000
    109      -1.4798      0.00000
    110      -1.3555      0.00000
    111      -1.3361      0.00000
    112      -1.2929      0.00000
    113      -0.6789      0.00000
    114      -0.4722      0.00000
    115      -0.2352      0.00000
    116       0.0510      0.00000
    117       0.5803      0.00000
    118       0.6927      0.00000
    119       0.7699      0.00000
    120       1.0217      0.00000
    121       1.0969      0.00000
    122       1.1746      0.00000
    123       1.2475      0.00000
    124       1.3305      0.00000
    125       1.4256      0.00000
    126       1.5882      0.00000
    127       1.7707      0.00000
    128       1.8392      0.00000
    129       1.8624      0.00000
    130       1.8845      0.00000
    131       2.0482      0.00000
    132       2.2107      0.00000
    133       2.2214      0.00000
    134       2.2768      0.00000
    135       2.4761      0.00000
    136       2.6121      0.00000
    137       2.6596      0.00000
    138       2.7396      0.00000
    139       2.8023      0.00000
    140       2.8359      0.00000
    141       2.8460      0.00000
    142       2.8942      0.00000
    143       2.9620      0.00000
    144       3.0719      0.00000
    145       3.3132      0.00000
    146       3.3596      0.00000
    147       3.4201      0.00000
    148       3.4278      0.00000
    149       3.4331      0.00000
    150       3.6094      0.00000
    151       3.6659      0.00000
    152       3.6797      0.00000
    153       3.7294      0.00000
    154       3.8943      0.00000
    155       3.9206      0.00000
    156       3.9576      0.00000
    157       4.1040      0.00000
    158       4.2042      0.00000
    159       4.2622      0.00000
    160       4.2816      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2113      1.00000
      2     -22.1206      1.00000
      3     -21.9582      1.00000
      4     -21.4060      1.00000
      5     -21.0475      1.00000
      6     -21.0192      1.00000
      7     -20.4973      1.00000
      8     -20.4674      1.00000
      9     -20.2876      1.00000
     10     -20.2856      1.00000
     11     -19.9578      1.00000
     12     -19.8947      1.00000
     13     -18.8843      1.00000
     14     -18.8167      1.00000
     15     -18.3387      1.00000
     16     -18.3198      1.00000
     17     -18.1500      1.00000
     18     -18.1425      1.00000
     19     -17.8167      1.00000
     20     -17.7988      1.00000
     21     -17.2587      1.00000
     22     -17.2392      1.00000
     23     -17.1609      1.00000
     24     -17.1360      1.00000
     25     -16.1179      1.00000
     26     -15.8812      1.00000
     27     -15.8701      1.00000
     28     -15.8409      1.00000
     29     -15.2313      1.00000
     30     -14.5512      1.00000
     31     -14.5328      1.00000
     32     -14.2760      1.00000
     33     -13.9758      1.00000
     34     -13.9522      1.00000
     35     -13.8255      1.00000
     36     -13.8031      1.00000
     37     -13.6043      1.00000
     38     -13.5791      1.00000
     39     -13.3715      1.00000
     40     -12.6400      1.00000
     41     -12.1689      1.00000
     42     -12.1426      1.00000
     43     -12.0683      1.00000
     44     -12.0216      1.00000
     45     -11.6657      1.00000
     46     -11.6610      1.00000
     47     -11.1366      1.00000
     48     -11.1255      1.00000
     49     -10.7901      1.00000
     50     -10.7340      1.00000
     51     -10.5365      1.00000
     52     -10.2092      1.00000
     53     -10.2029      1.00000
     54     -10.1716      1.00000
     55     -10.0235      1.00000
     56      -9.9953      1.00000
     57      -9.9908      1.00000
     58      -9.8056      1.00000
     59      -9.7967      1.00000
     60      -9.7648      1.00000
     61      -9.7568      1.00000
     62      -9.4539      1.00000
     63      -9.4182      1.00000
     64      -9.0854      1.00000
     65      -9.0464      1.00000
     66      -9.0264      1.00000
     67      -8.9693      1.00000
     68      -8.8985      1.00000
     69      -8.7087      1.00000
     70      -8.6994      1.00000
     71      -8.5594      1.00000
     72      -8.5487      1.00000
     73      -8.4785      1.00000
     74      -8.4597      1.00000
     75      -8.4571      1.00000
     76      -8.3090      1.00000
     77      -8.0958      1.00000
     78      -8.0900      1.00000
     79      -7.9271      1.00000
     80      -7.8328      1.00000
     81      -7.6016      1.00000
     82      -7.5362      1.00000
     83      -7.4447      1.00000
     84      -7.3150      1.00000
     85      -6.9944      1.00000
     86      -6.9196      1.00000
     87      -6.8827      1.00000
     88      -6.5269      1.00000
     89      -6.5150      1.00000
     90      -6.4805      1.00000
     91      -6.4210      1.00000
     92      -5.9276      1.00000
     93      -5.9057      1.00000
     94      -5.7891      1.00000
     95      -5.7753      1.00000
     96      -5.3697      1.00000
     97      -5.3636      1.00000
     98      -5.2206      1.00000
     99      -5.2157      1.00000
    100      -5.1992      1.00000
    101      -4.7206      1.00000
    102      -4.4429      1.00000
    103      -4.1913      1.00000
    104      -3.8207      1.00000
    105      -3.5656      1.00000
    106      -3.2218      1.00000
    107      -2.5625      0.00000
    108      -1.4630      0.00000
    109      -1.2678      0.00000
    110      -1.1851      0.00000
    111      -1.1836      0.00000
    112      -0.6448      0.00000
    113      -0.5515      0.00000
    114      -0.4146      0.00000
    115      -0.3473      0.00000
    116      -0.0779      0.00000
    117      -0.0635      0.00000
    118       0.1253      0.00000
    119       0.5933      0.00000
    120       0.6259      0.00000
    121       0.8486      0.00000
    122       0.9783      0.00000
    123       0.9981      0.00000
    124       1.4891      0.00000
    125       1.6784      0.00000
    126       1.7512      0.00000
    127       1.8510      0.00000
    128       2.1032      0.00000
    129       2.1697      0.00000
    130       2.1949      0.00000
    131       2.2102      0.00000
    132       2.2612      0.00000
    133       2.3637      0.00000
    134       2.4874      0.00000
    135       2.5265      0.00000
    136       2.6577      0.00000
    137       2.8524      0.00000
    138       2.8579      0.00000
    139       2.9485      0.00000
    140       3.0140      0.00000
    141       3.0399      0.00000
    142       3.1285      0.00000
    143       3.2148      0.00000
    144       3.2402      0.00000
    145       3.2567      0.00000
    146       3.2798      0.00000
    147       3.2989      0.00000
    148       3.3495      0.00000
    149       3.4116      0.00000
    150       3.5428      0.00000
    151       3.5602      0.00000
    152       3.6389      0.00000
    153       3.6606      0.00000
    154       3.7239      0.00000
    155       3.7442      0.00000
    156       3.8904      0.00000
    157       3.9650      0.00000
    158       4.0317      0.00000
    159       4.0643      0.00000
    160       4.1745      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2848      1.00000
      2     -22.0802      1.00000
      3     -21.7218      1.00000
      4     -21.6825      1.00000
      5     -20.9842      1.00000
      6     -20.9365      1.00000
      7     -20.6128      1.00000
      8     -20.5806      1.00000
      9     -20.5670      1.00000
     10     -20.0336      1.00000
     11     -19.5144      1.00000
     12     -19.4844      1.00000
     13     -19.3124      1.00000
     14     -19.2995      1.00000
     15     -18.4508      1.00000
     16     -18.4076      1.00000
     17     -17.9284      1.00000
     18     -17.9081      1.00000
     19     -17.7670      1.00000
     20     -17.7221      1.00000
     21     -17.4424      1.00000
     22     -17.4240      1.00000
     23     -17.3390      1.00000
     24     -16.4714      1.00000
     25     -16.4611      1.00000
     26     -15.9718      1.00000
     27     -15.4115      1.00000
     28     -15.4105      1.00000
     29     -15.0964      1.00000
     30     -15.0933      1.00000
     31     -14.8534      1.00000
     32     -14.8413      1.00000
     33     -14.2986      1.00000
     34     -14.2550      1.00000
     35     -13.4449      1.00000
     36     -13.4012      1.00000
     37     -13.1753      1.00000
     38     -13.1740      1.00000
     39     -12.9867      1.00000
     40     -12.9779      1.00000
     41     -12.6108      1.00000
     42     -12.6088      1.00000
     43     -12.1976      1.00000
     44     -11.5795      1.00000
     45     -11.5384      1.00000
     46     -11.3135      1.00000
     47     -11.2831      1.00000
     48     -11.1428      1.00000
     49     -10.6924      1.00000
     50     -10.6631      1.00000
     51     -10.5478      1.00000
     52     -10.3230      1.00000
     53     -10.3153      1.00000
     54     -10.1766      1.00000
     55     -10.1212      1.00000
     56     -10.1079      1.00000
     57      -9.8123      1.00000
     58      -9.7533      1.00000
     59      -9.7526      1.00000
     60      -9.7029      1.00000
     61      -9.6989      1.00000
     62      -9.6478      1.00000
     63      -9.3532      1.00000
     64      -9.3517      1.00000
     65      -9.3174      1.00000
     66      -9.0286      1.00000
     67      -8.9619      1.00000
     68      -8.9581      1.00000
     69      -8.7762      1.00000
     70      -8.5911      1.00000
     71      -8.5890      1.00000
     72      -8.4244      1.00000
     73      -8.3503      1.00000
     74      -8.3223      1.00000
     75      -8.3022      1.00000
     76      -8.2656      1.00000
     77      -8.2536      1.00000
     78      -8.2389      1.00000
     79      -7.9223      1.00000
     80      -7.7348      1.00000
     81      -7.3801      1.00000
     82      -7.3507      1.00000
     83      -7.3244      1.00000
     84      -7.2179      1.00000
     85      -7.1608      1.00000
     86      -7.0659      1.00000
     87      -6.9613      1.00000
     88      -6.9059      1.00000
     89      -6.6125      1.00000
     90      -6.5572      1.00000
     91      -6.2701      1.00000
     92      -5.9972      1.00000
     93      -5.9598      1.00000
     94      -5.6756      1.00000
     95      -5.6490      1.00000
     96      -5.3878      1.00000
     97      -5.3153      1.00000
     98      -5.2942      1.00000
     99      -5.2123      1.00000
    100      -5.2007      1.00000
    101      -4.5120      1.00000
    102      -4.3390      1.00000
    103      -3.9968      1.00000
    104      -3.8862      1.00000
    105      -3.7932      1.00000
    106      -3.4435      1.00000
    107      -2.0342      0.00000
    108      -1.8634      0.00000
    109      -1.2176      0.00000
    110      -1.1847      0.00000
    111      -1.0357      0.00000
    112      -0.7722      0.00000
    113      -0.6774      0.00000
    114      -0.6598      0.00000
    115      -0.6098      0.00000
    116      -0.1023      0.00000
    117       0.2224      0.00000
    118       0.2390      0.00000
    119       0.7624      0.00000
    120       0.9777      0.00000
    121       1.0726      0.00000
    122       1.2399      0.00000
    123       1.2497      0.00000
    124       1.3358      0.00000
    125       1.5748      0.00000
    126       1.5851      0.00000
    127       1.6920      0.00000
    128       1.7963      0.00000
    129       1.9368      0.00000
    130       1.9494      0.00000
    131       2.1045      0.00000
    132       2.3097      0.00000
    133       2.3439      0.00000
    134       2.4080      0.00000
    135       2.5342      0.00000
    136       2.6248      0.00000
    137       2.7896      0.00000
    138       2.8360      0.00000
    139       2.8515      0.00000
    140       2.8692      0.00000
    141       3.0514      0.00000
    142       3.0930      0.00000
    143       3.1414      0.00000
    144       3.2178      0.00000
    145       3.3711      0.00000
    146       3.4092      0.00000
    147       3.5012      0.00000
    148       3.5495      0.00000
    149       3.5881      0.00000
    150       3.6145      0.00000
    151       3.6449      0.00000
    152       3.7316      0.00000
    153       3.7379      0.00000
    154       3.7840      0.00000
    155       3.8389      0.00000
    156       3.8789      0.00000
    157       4.0173      0.00000
    158       4.0810      0.00000
    159       4.1629      0.00000
    160       4.2029      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0413   -7.3903    4.1982   -1.2759   -0.2386   17.5937    0.1472   -0.5323    0.6337   -0.4648
x    -3.0927   -0.0374   -0.0631    0.0615   -0.0091   -2.9772   -0.0109   -0.0070    0.0049    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0413    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0939   -0.0087    0.0374    0.0378
y    -0.0459   -3.2479   -0.5381   -0.1636   -1.1815   -0.6054
z   204.0413    1.1265   -0.2805    0.0408    0.0089    0.0615    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0777    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1677
z    -0.2829    0.1875   -0.0391    0.0470   -0.1049    0.0013
 total charge-density along one line
x   212.0000  -10.2204    6.1461   -2.0858   -0.4744   19.5112   -0.9960    0.4742   -0.0450   -0.1260
x    -2.6459   -0.0277   -0.0610    0.0844   -0.0532   -2.2247   -0.0248   -0.0026    0.0052    0.0021
x    -0.0897    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2204    6.1461   -2.0858   -0.4744   19.5112   -0.9960    0.4742   -0.0450   -0.1260
y    -2.6459   -0.0277   -0.0610    0.0844   -0.0532   -2.2247   -0.0248   -0.0026    0.0052    0.0021
y    -0.0897    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4919  189.2907 -170.3678  153.6543 -139.4448  125.4438 -110.1312   93.9843  -78.3694
z    64.1589  -51.5053   40.4392  -31.2335   24.1375  -18.9549   15.0409  -11.7266    8.7207   -6.1249
z     4.1341   -2.7621    1.8245   -1.1134    0.5417   -0.1286   -0.1100    0.2269   -0.3089    0.4000
z    -0.4768    0.4932   -0.4398    0.3546   -0.2860    0.2513   -0.2336    0.2088   -0.1710    0.1318
z    -0.1038    0.0881   -0.0769    0.0637   -0.0490    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0074    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.024   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.052   0.000   0.302   0.000   0.028  -0.191  -0.030   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.312   0.000   0.630   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.052   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.312   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.585  -0.239   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.630   0.000   0.000  -0.191   0.000   0.379   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.024   0.000   0.028   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.368  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.239   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.263   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.013   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.261   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.647
  9        0.864   1.784   0.000   2.647
 10        0.864   1.785   0.000   2.649
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.781   0.000   2.641
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.647
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.646
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.783   0.000   2.647
 28        0.864   1.785   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.785   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.647
 35        0.864   1.782   0.000   2.646
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.646
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.860   1.781   0.000   2.641
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.784   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.649
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.647
 51        0.864   1.784   0.000   2.648
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.870  89.437   8.029 142.337
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time   89.91: CPU time   45.27
    FORLOC:  VPU time    1.09: CPU time    1.09
    FORNL :  VPU time  362.64: CPU time  181.67
    STRESS:  VPU time 1089.48: CPU time  547.85
    FORCOR:  VPU time    7.42: CPU time    7.42
    FORHAR:  VPU time    1.97: CPU time    1.97
    MIXING:  VPU time    0.14: CPU time    0.14
 d Force = 0.4120865E-05[-0.364E-05, 0.119E-04]  d Energy = 0.9325960E-05-0.521E-05
 d Force =-0.4494776E+00[-0.449E+00,-0.449E+00]  d Ewald  = 0.3992775E+01-0.444E+01


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726404 eV

  energy  without entropy=     -471.726404  energy(sigma->0) =     -471.726404
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40853.30  40807.64 -47552.17    -39.55      0.00      0.00
  Hartree  40277.02  40257.92 -39535.78    -16.55      0.00      0.00
  E(xc)     -779.47   -779.76   -807.41     -0.25      0.00      0.00
  Local   -83414.26 -83358.55  84402.63     48.25      0.00      0.00
  n-local   -216.86   -215.74   -203.42      0.70      0.00      0.00
  augment     20.05     22.04     17.81      1.73      0.00      0.00
  Kinetic   3162.61   3176.38   3584.08      3.57      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.06      0.12     -0.33      0.05      0.00      0.00
  in kB        0.03      0.07     -0.20      0.03      0.00      0.00
  external pressure =       -0.03 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.344963355  0.000582675  0.000000000     0.081002489  0.046761779  0.000000000
    -6.171983708 10.691339290  0.000000000    -0.000004415  0.093531103  0.000000000
     0.000000000  0.000000000 19.987165880     0.000000000  0.000000000  0.050032106

  length of vectors
    12.344963369 12.344963293 19.987165880     0.093531102  0.093531103  0.050032106


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.478E-05 -.490E-04 -.951E+03   0.448E-05 -.278E-04 0.960E+03   0.339E-20 -.169E-20 -.867E+01   -.110E-08 0.241E-08 -.282E-02
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   -.466E-03 0.269E-03 0.260E-03
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   0.466E-03 -.269E-03 0.260E-03
   -.205E+01 0.118E+01 0.163E+02   0.205E+01 -.118E+01 -.162E+02   -.359E-02 0.207E-02 -.242E-01   0.802E-03 -.466E-03 -.155E-03
   0.615E+01 0.686E+01 0.194E+02   -.615E+01 -.688E+01 -.193E+02   0.121E-02 0.204E-01 -.271E-01   -.114E-02 0.153E-02 -.392E-03
   0.112E+02 0.509E+01 0.162E+02   -.112E+02 -.509E+01 -.161E+02   0.198E-01 0.939E-02 -.478E-01   -.112E-03 -.685E-03 -.814E-03
   0.471E+01 -.883E+00 0.126E+02   -.473E+01 0.892E+00 -.126E+02   0.142E-01 -.694E-02 -.173E-01   -.261E-03 0.196E-03 -.111E-02
   -.308E+01 -.253E+01 0.126E+02   0.307E+01 0.253E+01 -.126E+02   -.272E-02 0.311E-02 -.130E-01   0.217E-03 -.110E-03 -.476E-03
   0.649E+00 0.393E+01 0.126E+02   -.652E+00 -.393E+01 -.126E+02   -.405E-02 0.806E-03 -.130E-01   0.198E-03 -.139E-03 -.480E-03
   0.242E+01 0.188E+02 0.240E+02   -.242E+01 -.189E+02 -.240E+02   -.255E-02 0.104E+00 -.486E-01   -.805E-03 -.137E-02 -.985E-03
   0.227E+02 0.214E+02 0.423E+02   -.227E+02 -.216E+02 -.422E+02   0.749E-01 0.263E+00 -.607E-01   0.180E-02 -.610E-03 -.188E-02
   0.268E+02 -.343E+01 0.256E+02   -.271E+02 0.354E+01 -.256E+02   0.270E+00 -.109E+00 -.338E-01   -.109E-02 0.312E-03 -.132E-02
   0.913E+01 -.527E+01 0.136E+02   -.917E+01 0.530E+01 -.136E+02   0.421E-01 -.243E-01 -.121E-01   -.988E-03 0.564E-03 -.310E-03
   0.312E+01 -.364E+01 0.126E+02   -.314E+01 0.365E+01 -.126E+02   0.131E-01 -.886E-02 -.173E-01   -.302E-03 0.124E-03 -.112E-02
   -.592E+01 0.136E+02 0.161E+02   0.592E+01 -.137E+02 -.161E+02   -.151E-02 0.711E-01 -.521E-01   0.219E-03 0.715E-03 -.102E-02
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.322E-01 0.613E+00 0.294E+00   -.468E-03 0.174E-03 -.251E-02
   0.236E+02 -.136E+02 0.940E+02   -.243E+02 0.140E+02 -.961E+02   0.635E+00 -.367E+00 0.205E+01   -.282E-03 0.160E-03 -.328E-02
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.229E+00 -.179E+00 -.338E-01   -.816E-03 0.778E-03 -.132E-02
   0.119E+01 -.122E+02 0.162E+02   -.120E+01 0.123E+02 -.161E+02   0.175E-02 -.218E-01 -.478E-01   0.541E-03 0.438E-03 -.819E-03
   -.413E+01 0.192E+01 0.116E+02   0.413E+01 -.193E+01 -.116E+02   -.855E-03 0.104E-01 -.438E-01   0.508E-03 -.212E-03 -.625E-03
   -.193E+02 0.111E+02 0.217E+02   0.193E+02 -.112E+02 -.217E+02   -.496E-01 0.286E-01 -.434E-01   -.628E-03 0.366E-03 -.613E-03
   -.373E+02 -.785E+01 0.478E+02   0.378E+02 0.813E+01 -.481E+02   -.547E+00 -.278E+00 0.294E+00   -.381E-03 0.317E-03 -.250E-02
   -.716E+01 -.303E+02 0.423E+02   0.734E+01 0.305E+02 -.422E+02   -.190E+00 -.196E+00 -.607E-01   0.143E-02 -.126E-02 -.188E-02
   -.286E+01 -.876E+01 0.194E+02   0.288E+01 0.877E+01 -.193E+02   -.171E-01 -.113E-01 -.271E-01   -.190E-02 0.222E-03 -.392E-03
   0.139E+01 -.804E+00 0.134E+02   -.140E+01 0.808E+00 -.134E+02   -.126E-02 0.726E-03 -.179E-01   0.471E-03 -.270E-03 -.229E-03
   -.373E+01 0.262E+01 0.116E+02   0.373E+01 -.261E+01 -.116E+02   -.940E-02 -.444E-02 -.438E-01   0.440E-03 -.329E-03 -.621E-03
   -.148E+02 -.169E+01 0.161E+02   0.148E+02 0.173E+01 -.161E+02   -.623E-01 -.342E-01 -.521E-01   -.508E-03 -.549E-03 -.101E-02
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.916E-01 -.499E-01 -.486E-01   0.788E-03 0.138E-02 -.982E-03
   0.286E+01 0.876E+01 0.194E+02   -.288E+01 -.877E+01 -.193E+02   0.171E-01 0.113E-01 -.271E-01   0.190E-02 -.222E-03 -.392E-03
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.916E-01 0.499E-01 -.486E-01   -.788E-03 -.138E-02 -.982E-03
   0.148E+02 0.169E+01 0.161E+02   -.148E+02 -.173E+01 -.161E+02   0.623E-01 0.342E-01 -.521E-01   0.508E-03 0.549E-03 -.101E-02
   0.373E+01 -.262E+01 0.116E+02   -.373E+01 0.261E+01 -.116E+02   0.940E-02 0.444E-02 -.438E-01   -.440E-03 0.329E-03 -.621E-03
   -.139E+01 0.804E+00 0.134E+02   0.140E+01 -.807E+00 -.134E+02   0.126E-02 -.726E-03 -.179E-01   -.471E-03 0.270E-03 -.229E-03
   -.119E+01 0.122E+02 0.162E+02   0.120E+01 -.123E+02 -.161E+02   -.175E-02 0.218E-01 -.478E-01   -.541E-03 -.438E-03 -.819E-03
   0.716E+01 0.303E+02 0.423E+02   -.734E+01 -.305E+02 -.422E+02   0.190E+00 0.196E+00 -.607E-01   -.143E-02 0.126E-02 -.188E-02
   0.373E+02 0.785E+01 0.478E+02   -.378E+02 -.813E+01 -.481E+02   0.547E+00 0.278E+00 0.294E+00   0.381E-03 -.317E-03 -.250E-02
   0.193E+02 -.111E+02 0.217E+02   -.193E+02 0.112E+02 -.217E+02   0.496E-01 -.286E-01 -.434E-01   0.628E-03 -.366E-03 -.613E-03
   0.413E+01 -.192E+01 0.116E+02   -.413E+01 0.193E+01 -.116E+02   0.855E-03 -.104E-01 -.438E-01   -.508E-03 0.212E-03 -.625E-03
   -.312E+01 0.364E+01 0.126E+02   0.314E+01 -.365E+01 -.126E+02   -.131E-01 0.886E-02 -.173E-01   0.302E-03 -.124E-03 -.112E-02
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.229E+00 0.179E+00 -.338E-01   0.816E-03 -.778E-03 -.132E-02
   -.236E+02 0.136E+02 0.940E+02   0.243E+02 -.140E+02 -.961E+02   -.635E+00 0.367E+00 0.205E+01   0.282E-03 -.160E-03 -.328E-02
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.322E-01 -.613E+00 0.294E+00   0.468E-03 -.174E-03 -.251E-02
   0.592E+01 -.136E+02 0.161E+02   -.592E+01 0.137E+02 -.161E+02   0.151E-02 -.711E-01 -.521E-01   -.219E-03 -.715E-03 -.102E-02
   -.649E+00 -.393E+01 0.126E+02   0.652E+00 0.393E+01 -.126E+02   0.405E-02 -.806E-03 -.130E-01   -.198E-03 0.139E-03 -.480E-03
   -.913E+01 0.527E+01 0.136E+02   0.917E+01 -.530E+01 -.136E+02   -.421E-01 0.243E-01 -.121E-01   0.988E-03 -.564E-03 -.310E-03
   -.268E+02 0.343E+01 0.256E+02   0.271E+02 -.354E+01 -.256E+02   -.270E+00 0.109E+00 -.338E-01   0.109E-02 -.312E-03 -.132E-02
   -.227E+02 -.214E+02 0.423E+02   0.227E+02 0.216E+02 -.422E+02   -.749E-01 -.263E+00 -.607E-01   -.180E-02 0.610E-03 -.188E-02
   -.242E+01 -.188E+02 0.240E+02   0.242E+01 0.189E+02 -.240E+02   0.255E-02 -.104E+00 -.486E-01   0.805E-03 0.137E-02 -.985E-03
   0.205E+01 -.118E+01 0.163E+02   -.205E+01 0.118E+01 -.162E+02   0.359E-02 -.207E-02 -.242E-01   -.802E-03 0.466E-03 -.156E-03
   0.308E+01 0.253E+01 0.126E+02   -.307E+01 -.253E+01 -.126E+02   0.272E-02 -.311E-02 -.130E-01   -.217E-03 0.110E-03 -.476E-03
   -.471E+01 0.883E+00 0.126E+02   0.473E+01 -.892E+00 -.126E+02   -.142E-01 0.694E-02 -.173E-01   0.261E-03 -.196E-03 -.111E-02
   -.112E+02 -.509E+01 0.162E+02   0.112E+02 0.509E+01 -.161E+02   -.198E-01 -.939E-02 -.478E-01   0.112E-03 0.685E-03 -.814E-03
   -.615E+01 -.685E+01 0.194E+02   0.615E+01 0.688E+01 -.193E+02   -.121E-02 -.204E-01 -.271E-01   0.114E-02 -.153E-02 -.392E-03
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.288E-03 0.101E+02   -.210E-12 -.149E-12 -.135E-12   -.373E-15 -.902E-16 -.100E+02   0.473E-08 -.456E-08 -.560E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85203      6.05868     12.26546         0.000000      0.000000      0.025300
      1.07491      6.50734     13.52493         0.001303     -0.000752      0.008429
      2.62914      5.61001     13.52493        -0.001303      0.000752      0.008429
      0.00017     -0.00010      9.91121        -0.003915      0.002261     -0.000228
     -1.23474      2.13681      9.90986         0.000501     -0.000492     -0.000190
     -2.46992      4.27624      9.92983        -0.004333      0.004253     -0.000502
     -3.70362      6.41487      9.93752        -0.003027      0.002280     -0.000816
     -4.93733      8.55303      9.92812        -0.006946      0.003658     -0.000745
      2.46916     -0.00009      9.92812        -0.006640      0.004187     -0.000745
      1.23389      2.13653      9.91939        -0.003962      0.004495     -0.001433
     -0.00262      4.27059      9.93186        -0.009133      0.005980     -0.002427
     -1.23837      6.41548      9.95399         0.001055      0.001628     -0.001307
     -2.46894      8.55339      9.93944        -0.001006      0.000581      0.000338
      4.93771      0.00057      9.93752        -0.003488      0.001481     -0.000816
      3.70404      2.13662      9.94084        -0.002980     -0.001873     -0.001570
      2.46980      4.26829      9.96840        -0.005213      0.000878     -0.002028
      1.22904      6.41836      9.97465        -0.006553      0.003784      0.002708
     -0.00217      8.55664      9.95399        -0.000882     -0.001728     -0.001307
      7.40667      0.00147      9.92983        -0.005850      0.001626     -0.000502
      6.17235      2.13865      9.93617        -0.005033      0.002934     -0.000729
      4.93879      4.27654      9.94892         0.002072     -0.001196     -0.000438
      3.71143      6.41887      9.96840        -0.003367      0.004075     -0.002028
      2.47324      8.55889      9.93186        -0.009746      0.004919     -0.002427
      9.87706      0.00150      9.90986         0.000677     -0.000188     -0.000190
      8.64150      2.13878      9.92106        -0.006120      0.003533      0.000034
      7.40704      4.27718      9.93617        -0.005058      0.002891     -0.000729
      6.17463      6.41582      9.94084         0.000132      0.003517     -0.001570
      4.93963      8.55507      9.91939        -0.005874      0.001183     -0.001433
     -0.00102      1.42452      9.90986        -0.000677      0.000188     -0.000190
     -1.23558      3.56228      9.91939         0.005874     -0.001183     -0.001433
     -2.47058      5.70154      9.94084        -0.000132     -0.003517     -0.001570
     -3.70298      7.84017      9.93617         0.005058     -0.002891     -0.000729
     -4.93744      9.97858      9.92106         0.006120     -0.003533      0.000034
      2.46937      1.42455      9.92983         0.005850     -0.001626     -0.000502
      1.23082      3.55846      9.93186         0.009746     -0.004919     -0.002427
     -0.00738      5.69849      9.96840         0.003367     -0.004075     -0.002028
     -1.23474      7.84082      9.94892        -0.002072      0.001196     -0.000438
     -2.46830      9.97871      9.93617         0.005033     -0.002934     -0.000729
      4.93833      1.42544      9.93752         0.003488     -0.001481     -0.000816
      3.70623      3.56072      9.95399         0.000882      0.001728     -0.001307
      2.47501      5.69900      9.97465         0.006553     -0.003784      0.002708
      1.23426      7.84906      9.96840         0.005213     -0.000878     -0.002028
      0.00002      9.98073      9.94084         0.002980      0.001873     -0.001570
      7.40688      1.42611      9.92812         0.006640     -0.004187     -0.000745
      6.17300      3.56397      9.93944         0.001006     -0.000581      0.000338
      4.94243      5.70188      9.95399        -0.001055     -0.001628     -0.001307
      3.70667      7.84677      9.93186         0.009133     -0.005980     -0.002427
      2.47016      9.98082      9.91939         0.003962     -0.004495     -0.001433
      9.87587      1.42611      9.91121         0.003915     -0.002261     -0.000228
      8.64138      3.56432      9.92812         0.006946     -0.003658     -0.000745
      7.40768      5.70248      9.93752         0.003027     -0.002280     -0.000816
      6.17397      7.84112      9.92983         0.004333     -0.004253     -0.000502
      4.93880      9.98054      9.90986        -0.000501      0.000492     -0.000190
 -----------------------------------------------------------------------------------
    total drift:                               -0.001800      0.000288      0.029089


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.67: CPU time    1.68
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.18: CPU time    1.18
    ORTHCH:  VPU time  150.11: CPU time   75.10
     LOOP+:  VPU time 4639.10: CPU time 2375.23


----------------------------------------- Iteration   25(   1)  ---------------------------------------


    POTLOK:  VPU time    7.71: CPU time    7.70
    SETDIJ:  VPU time    0.29: CPU time    0.28
    EDDAV :  VPU time 1238.48: CPU time  631.98
 BZINTS: Fermi energy: -3.187927;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   89.74: CPU time   45.20
    MIXING:  VPU time    0.12: CPU time    0.13
    ------------------------------------------
      LOOP:  VPU time 1336.39: CPU time  685.32

 eigenvalue-minimisations  :  4784
 total energy-change (2. order) :-0.4717264E+03  (-0.3419693E-04)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9584294 magnetization    0.0000003

 Broyden mixing:
  rms(total) = 0.71415E-03    rms(broyden)= 0.71403E-03
  rms(prec ) = 0.80239E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34106.84772860
  -1/2 Hartree   DENC   =    -40997.45720893
  -V(xc)+E(xc)   XCENC  =       726.61362676
  PAW double counting   =      4094.50848199    -4132.85668333
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.82221128
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641257 eV

  energy without entropy =     -471.72641257  energy(sigma->0) =     -471.72641257


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   25(   2)  ---------------------------------------


    POTLOK:  VPU time    7.71: CPU time    7.71
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1115.76: CPU time  569.57
 BZINTS: Fermi energy: -3.187744;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1123.82: CPU time  577.59

 eigenvalue-minimisations  :  4096
 total energy-change (2. order) : 0.7183735E-07  (-0.1342076E-05)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9584294 magnetization    0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34106.84772860
  -1/2 Hartree   DENC   =    -40997.39318877
  -V(xc)+E(xc)   XCENC  =       726.61096067
  PAW double counting   =      4094.43128083    -4132.77902695
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.88402049
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641250 eV

  energy without entropy =     -471.72641250  energy(sigma->0) =     -471.72641250


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2180       2 -39.5369       3 -39.5370       4 -58.3133       5 -58.3173
       6 -58.3198       7 -58.3143       8 -58.3146       9 -58.3146      10 -58.3211
      11 -58.3872      12 -58.3512      13 -58.3226      14 -58.3143      15 -58.3241
      16 -58.5423      17 -58.7292      18 -58.3512      19 -58.3198      20 -58.3194
      21 -58.3574      22 -58.5423      23 -58.3873      24 -58.3173      25 -58.3225
      26 -58.3194      27 -58.3242      28 -58.3211      29 -58.3172      30 -58.3210
      31 -58.3240      32 -58.3193      33 -58.3224      34 -58.3197      35 -58.3872
      36 -58.5422      37 -58.3573      38 -58.3193      39 -58.3142      40 -58.3511
      41 -58.7291      42 -58.5422      43 -58.3240      44 -58.3145      45 -58.3225
      46 -58.3511      47 -58.3872      48 -58.3210      49 -58.3132      50 -58.3145
      51 -58.3142      52 -58.3197      53 -58.3172
 
 
 
 E-fermi :  -3.1877     XC(G=0):  -2.3444     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4274      1.00000
      2     -21.6041      1.00000
      3     -21.4824      1.00000
      4     -21.4733      1.00000
      5     -21.4417      1.00000
      6     -21.4410      1.00000
      7     -21.4308      1.00000
      8     -19.7082      1.00000
      9     -19.6533      1.00000
     10     -19.6300      1.00000
     11     -19.6190      1.00000
     12     -19.6137      1.00000
     13     -19.6127      1.00000
     14     -18.7903      1.00000
     15     -18.7552      1.00000
     16     -18.7354      1.00000
     17     -18.7259      1.00000
     18     -18.7188      1.00000
     19     -18.7134      1.00000
     20     -16.6351      1.00000
     21     -16.6092      1.00000
     22     -16.5848      1.00000
     23     -16.5814      1.00000
     24     -16.5544      1.00000
     25     -16.5527      1.00000
     26     -15.6152      1.00000
     27     -15.6023      1.00000
     28     -15.5991      1.00000
     29     -15.5650      1.00000
     30     -15.5632      1.00000
     31     -15.5624      1.00000
     32     -14.2601      1.00000
     33     -14.2507      1.00000
     34     -14.2407      1.00000
     35     -14.2357      1.00000
     36     -14.2226      1.00000
     37     -14.2197      1.00000
     38     -11.9056      1.00000
     39     -11.8787      1.00000
     40     -11.8674      1.00000
     41     -11.8655      1.00000
     42     -11.8447      1.00000
     43     -11.8445      1.00000
     44     -11.7712      1.00000
     45     -11.7685      1.00000
     46     -11.7359      1.00000
     47     -11.7292      1.00000
     48     -11.7248      1.00000
     49     -11.7225      1.00000
     50     -10.6765      1.00000
     51     -10.3887      1.00000
     52     -10.3836      1.00000
     53     -10.3767      1.00000
     54     -10.3690      1.00000
     55     -10.3556      1.00000
     56     -10.3535      1.00000
     57      -9.9043      1.00000
     58      -9.4509      1.00000
     59      -9.4059      1.00000
     60      -9.3629      1.00000
     61      -9.3623      1.00000
     62      -9.3545      1.00000
     63      -9.1422      1.00000
     64      -9.1214      1.00000
     65      -9.1209      1.00000
     66      -9.0844      1.00000
     67      -9.0716      1.00000
     68      -9.0710      1.00000
     69      -9.0709      1.00000
     70      -9.0638      1.00000
     71      -9.0637      1.00000
     72      -9.0381      1.00000
     73      -9.0286      1.00000
     74      -9.0253      1.00000
     75      -8.1303      1.00000
     76      -7.7458      1.00000
     77      -7.4682      1.00000
     78      -7.4663      1.00000
     79      -7.4534      1.00000
     80      -7.4337      1.00000
     81      -7.4243      1.00000
     82      -7.4062      1.00000
     83      -7.3129      1.00000
     84      -7.2711      1.00000
     85      -7.2575      1.00000
     86      -7.2490      1.00000
     87      -7.1509      1.00000
     88      -7.0496      1.00000
     89      -6.4463      1.00000
     90      -6.4160      1.00000
     91      -6.4004      1.00000
     92      -6.3637      1.00000
     93      -6.3529      1.00000
     94      -6.3407      1.00000
     95      -5.9582      1.00000
     96      -5.9575      1.00000
     97      -4.8064      1.00000
     98      -4.5442      1.00000
     99      -4.4813      1.00000
    100      -4.4742      1.00000
    101      -4.3821      1.00000
    102      -4.3815      1.00000
    103      -4.2679      1.00000
    104      -4.1873      1.00000
    105      -3.7393      1.00000
    106      -3.4775      1.00000
    107      -1.8616      0.00000
    108      -1.6705      0.00000
    109      -1.6239      0.00000
    110      -1.5911      0.00000
    111      -1.5756      0.00000
    112      -1.5747      0.00000
    113      -0.4289      0.00000
    114       0.1458      0.00000
    115       0.1924      0.00000
    116       0.2560      0.00000
    117       0.2677      0.00000
    118       0.2717      0.00000
    119       0.4770      0.00000
    120       0.5423      0.00000
    121       1.2425      0.00000
    122       1.2887      0.00000
    123       1.5273      0.00000
    124       1.7662      0.00000
    125       1.7692      0.00000
    126       1.7692      0.00000
    127       1.8117      0.00000
    128       1.8280      0.00000
    129       1.9591      0.00000
    130       1.9673      0.00000
    131       1.9747      0.00000
    132       1.9896      0.00000
    133       1.9968      0.00000
    134       2.0734      0.00000
    135       2.2409      0.00000
    136       2.3463      0.00000
    137       2.5967      0.00000
    138       2.5996      0.00000
    139       2.6237      0.00000
    140       2.7058      0.00000
    141       2.9300      0.00000
    142       3.0554      0.00000
    143       3.0766      0.00000
    144       3.1035      0.00000
    145       3.1137      0.00000
    146       3.1179      0.00000
    147       3.1224      0.00000
    148       3.2703      0.00000
    149       3.4518      0.00000
    150       3.5021      0.00000
    151       3.8263      0.00000
    152       3.9558      0.00000
    153       3.9598      0.00000
    154       3.9604      0.00000
    155       3.9657      0.00000
    156       3.9951      0.00000
    157       4.1838      0.00000
    158       4.2591      0.00000
    159       4.2721      0.00000
    160       4.2805      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3907      1.00000
      2     -21.8315      1.00000
      3     -21.6392      1.00000
      4     -21.6114      1.00000
      5     -21.2756      1.00000
      6     -21.2362      1.00000
      7     -21.0578      1.00000
      8     -20.1685      1.00000
      9     -20.1303      1.00000
     10     -19.6094      1.00000
     11     -19.5983      1.00000
     12     -19.4179      1.00000
     13     -19.0903      1.00000
     14     -19.0606      1.00000
     15     -19.0495      1.00000
     16     -19.0421      1.00000
     17     -18.3612      1.00000
     18     -18.3528      1.00000
     19     -18.0195      1.00000
     20     -17.0695      1.00000
     21     -17.0307      1.00000
     22     -16.9441      1.00000
     23     -16.9403      1.00000
     24     -16.4682      1.00000
     25     -16.4635      1.00000
     26     -15.6147      1.00000
     27     -15.6077      1.00000
     28     -15.2530      1.00000
     29     -15.2438      1.00000
     30     -15.1850      1.00000
     31     -15.0981      1.00000
     32     -15.0713      1.00000
     33     -14.6989      1.00000
     34     -14.6969      1.00000
     35     -13.7267      1.00000
     36     -13.7242      1.00000
     37     -13.2358      1.00000
     38     -12.6141      1.00000
     39     -12.5839      1.00000
     40     -12.4545      1.00000
     41     -12.4509      1.00000
     42     -12.1093      1.00000
     43     -12.1047      1.00000
     44     -11.7176      1.00000
     45     -11.6867      1.00000
     46     -11.2351      1.00000
     47     -11.2258      1.00000
     48     -11.0177      1.00000
     49     -11.0098      1.00000
     50     -10.9269      1.00000
     51     -10.9054      1.00000
     52     -10.6316      1.00000
     53     -10.1549      1.00000
     54     -10.1509      1.00000
     55     -10.0916      1.00000
     56      -9.9989      1.00000
     57      -9.7031      1.00000
     58      -9.6948      1.00000
     59      -9.6564      1.00000
     60      -9.5919      1.00000
     61      -9.5768      1.00000
     62      -9.5588      1.00000
     63      -9.3069      1.00000
     64      -9.3031      1.00000
     65      -9.2745      1.00000
     66      -9.2367      1.00000
     67      -9.1372      1.00000
     68      -9.1148      1.00000
     69      -9.1113      1.00000
     70      -8.9401      1.00000
     71      -8.8722      1.00000
     72      -8.6042      1.00000
     73      -8.5906      1.00000
     74      -8.2368      1.00000
     75      -8.1001      1.00000
     76      -7.9134      1.00000
     77      -7.8637      1.00000
     78      -7.7713      1.00000
     79      -7.7566      1.00000
     80      -7.6924      1.00000
     81      -7.5607      1.00000
     82      -7.3384      1.00000
     83      -7.3224      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0121      1.00000
     88      -6.7046      1.00000
     89      -6.6783      1.00000
     90      -6.6412      1.00000
     91      -6.5978      1.00000
     92      -6.1153      1.00000
     93      -6.0622      1.00000
     94      -6.0310      1.00000
     95      -6.0115      1.00000
     96      -5.7833      1.00000
     97      -4.9744      1.00000
     98      -4.8320      1.00000
     99      -4.7469      1.00000
    100      -4.6793      1.00000
    101      -4.4689      1.00000
    102      -4.2036      1.00000
    103      -4.1718      1.00000
    104      -4.1279      1.00000
    105      -3.7296      1.00000
    106      -3.4877      1.00000
    107      -1.8701      0.00000
    108      -1.8087      0.00000
    109      -1.5241      0.00000
    110      -1.3774      0.00000
    111      -1.3211      0.00000
    112      -1.2878      0.00000
    113      -0.7197      0.00000
    114      -0.3758      0.00000
    115      -0.2498      0.00000
    116       0.0368      0.00000
    117       0.5514      0.00000
    118       0.6977      0.00000
    119       0.7462      0.00000
    120       1.0473      0.00000
    121       1.1002      0.00000
    122       1.1474      0.00000
    123       1.2267      0.00000
    124       1.3732      0.00000
    125       1.5186      0.00000
    126       1.5737      0.00000
    127       1.7119      0.00000
    128       1.8193      0.00000
    129       1.8592      0.00000
    130       1.8810      0.00000
    131       2.0941      0.00000
    132       2.1789      0.00000
    133       2.2368      0.00000
    134       2.2993      0.00000
    135       2.5065      0.00000
    136       2.5792      0.00000
    137       2.6530      0.00000
    138       2.7756      0.00000
    139       2.7959      0.00000
    140       2.8272      0.00000
    141       2.8724      0.00000
    142       2.8960      0.00000
    143       2.9504      0.00000
    144       3.0692      0.00000
    145       3.1464      0.00000
    146       3.3134      0.00000
    147       3.3965      0.00000
    148       3.4418      0.00000
    149       3.4648      0.00000
    150       3.6168      0.00000
    151       3.6468      0.00000
    152       3.6735      0.00000
    153       3.7147      0.00000
    154       3.9052      0.00000
    155       3.9562      0.00000
    156       4.0109      0.00000
    157       4.0635      0.00000
    158       4.2345      0.00000
    159       4.2483      0.00000
    160       4.2713      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2847      1.00000
      2     -22.0790      1.00000
      3     -21.7177      1.00000
      4     -21.6858      1.00000
      5     -20.9804      1.00000
      6     -20.9398      1.00000
      7     -20.6127      1.00000
      8     -20.5761      1.00000
      9     -20.5698      1.00000
     10     -20.0334      1.00000
     11     -19.5042      1.00000
     12     -19.4924      1.00000
     13     -19.3075      1.00000
     14     -19.3024      1.00000
     15     -18.4482      1.00000
     16     -18.4115      1.00000
     17     -17.9227      1.00000
     18     -17.9134      1.00000
     19     -17.7620      1.00000
     20     -17.7263      1.00000
     21     -17.4362      1.00000
     22     -17.4289      1.00000
     23     -17.3412      1.00000
     24     -16.4632      1.00000
     25     -16.4620      1.00000
     26     -15.9674      1.00000
     27     -15.4148      1.00000
     28     -15.4093      1.00000
     29     -15.0970      1.00000
     30     -15.0935      1.00000
     31     -14.8552      1.00000
     32     -14.8475      1.00000
     33     -14.2904      1.00000
     34     -14.2576      1.00000
     35     -13.4366      1.00000
     36     -13.4042      1.00000
     37     -13.1776      1.00000
     38     -13.1743      1.00000
     39     -12.9822      1.00000
     40     -12.9773      1.00000
     41     -12.6130      1.00000
     42     -12.6100      1.00000
     43     -12.1976      1.00000
     44     -11.5768      1.00000
     45     -11.5431      1.00000
     46     -11.3109      1.00000
     47     -11.2881      1.00000
     48     -11.1418      1.00000
     49     -10.6764      1.00000
     50     -10.6602      1.00000
     51     -10.5535      1.00000
     52     -10.3232      1.00000
     53     -10.3178      1.00000
     54     -10.1699      1.00000
     55     -10.1152      1.00000
     56     -10.1126      1.00000
     57      -9.7986      1.00000
     58      -9.7646      1.00000
     59      -9.7521      1.00000
     60      -9.7000      1.00000
     61      -9.6967      1.00000
     62      -9.6626      1.00000
     63      -9.3540      1.00000
     64      -9.3515      1.00000
     65      -9.3155      1.00000
     66      -9.0414      1.00000
     67      -8.9618      1.00000
     68      -8.9496      1.00000
     69      -8.7999      1.00000
     70      -8.5949      1.00000
     71      -8.5580      1.00000
     72      -8.3987      1.00000
     73      -8.3652      1.00000
     74      -8.3243      1.00000
     75      -8.3068      1.00000
     76      -8.2587      1.00000
     77      -8.2569      1.00000
     78      -8.2362      1.00000
     79      -7.9051      1.00000
     80      -7.6514      1.00000
     81      -7.5495      1.00000
     82      -7.3860      1.00000
     83      -7.3490      1.00000
     84      -7.2304      1.00000
     85      -7.0967      1.00000
     86      -7.0390      1.00000
     87      -6.9341      1.00000
     88      -6.8483      1.00000
     89      -6.6123      1.00000
     90      -6.5582      1.00000
     91      -6.2694      1.00000
     92      -6.0439      1.00000
     93      -5.9516      1.00000
     94      -5.6627      1.00000
     95      -5.6226      1.00000
     96      -5.4632      1.00000
     97      -5.3200      1.00000
     98      -5.2788      1.00000
     99      -5.2138      1.00000
    100      -5.1938      1.00000
    101      -4.5086      1.00000
    102      -4.2077      1.00000
    103      -4.0592      1.00000
    104      -3.9890      1.00000
    105      -3.6943      1.00000
    106      -3.4979      1.00000
    107      -1.9460      0.00000
    108      -1.8961      0.00000
    109      -1.3388      0.00000
    110      -1.0846      0.00000
    111      -1.0581      0.00000
    112      -0.8000      0.00000
    113      -0.6774      0.00000
    114      -0.6465      0.00000
    115      -0.6070      0.00000
    116      -0.1081      0.00000
    117       0.2158      0.00000
    118       0.3291      0.00000
    119       0.6896      0.00000
    120       0.8836      0.00000
    121       1.1262      0.00000
    122       1.1989      0.00000
    123       1.3221      0.00000
    124       1.4152      0.00000
    125       1.5524      0.00000
    126       1.5755      0.00000
    127       1.6715      0.00000
    128       1.8056      0.00000
    129       1.8768      0.00000
    130       2.0486      0.00000
    131       2.1346      0.00000
    132       2.3327      0.00000
    133       2.3650      0.00000
    134       2.3879      0.00000
    135       2.5365      0.00000
    136       2.6269      0.00000
    137       2.7240      0.00000
    138       2.7717      0.00000
    139       2.8398      0.00000
    140       2.8791      0.00000
    141       3.0440      0.00000
    142       3.0537      0.00000
    143       3.1549      0.00000
    144       3.2584      0.00000
    145       3.3554      0.00000
    146       3.4101      0.00000
    147       3.4258      0.00000
    148       3.5659      0.00000
    149       3.5819      0.00000
    150       3.5959      0.00000
    151       3.6576      0.00000
    152       3.6694      0.00000
    153       3.7765      0.00000
    154       3.8000      0.00000
    155       3.8203      0.00000
    156       3.8933      0.00000
    157       3.9140      0.00000
    158       3.9902      0.00000
    159       4.2074      0.00000
    160       4.2234      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3187      1.00000
      2     -21.9639      1.00000
      3     -21.8947      1.00000
      4     -21.3819      1.00000
      5     -21.3527      1.00000
      6     -20.8406      1.00000
      7     -20.7753      1.00000
      8     -20.6250      1.00000
      9     -20.0785      1.00000
     10     -20.0728      1.00000
     11     -19.7176      1.00000
     12     -19.6931      1.00000
     13     -18.9972      1.00000
     14     -18.9913      1.00000
     15     -18.6414      1.00000
     16     -18.6254      1.00000
     17     -18.4627      1.00000
     18     -17.6757      1.00000
     19     -17.6253      1.00000
     20     -17.6225      1.00000
     21     -17.5806      1.00000
     22     -17.1270      1.00000
     23     -17.1055      1.00000
     24     -16.9624      1.00000
     25     -16.0020      1.00000
     26     -15.9303      1.00000
     27     -15.5861      1.00000
     28     -15.5858      1.00000
     29     -15.2873      1.00000
     30     -14.8644      1.00000
     31     -14.8372      1.00000
     32     -14.5791      1.00000
     33     -14.5372      1.00000
     34     -14.1691      1.00000
     35     -14.1555      1.00000
     36     -13.1480      1.00000
     37     -13.1008      1.00000
     38     -13.0297      1.00000
     39     -13.0196      1.00000
     40     -12.7090      1.00000
     41     -12.7049      1.00000
     42     -12.3419      1.00000
     43     -12.3107      1.00000
     44     -11.6362      1.00000
     45     -11.6226      1.00000
     46     -11.5725      1.00000
     47     -10.9498      1.00000
     48     -10.9167      1.00000
     49     -10.6326      1.00000
     50     -10.6243      1.00000
     51     -10.5476      1.00000
     52     -10.4999      1.00000
     53     -10.4996      1.00000
     54     -10.4394      1.00000
     55     -10.3602      1.00000
     56     -10.1000      1.00000
     57      -9.9042      1.00000
     58      -9.6082      1.00000
     59      -9.5559      1.00000
     60      -9.4528      1.00000
     61      -9.4122      1.00000
     62      -9.4053      1.00000
     63      -9.3771      1.00000
     64      -9.3767      1.00000
     65      -9.2879      1.00000
     66      -9.1688      1.00000
     67      -9.1432      1.00000
     68      -9.1149      1.00000
     69      -8.8649      1.00000
     70      -8.8573      1.00000
     71      -8.8156      1.00000
     72      -8.5974      1.00000
     73      -8.4804      1.00000
     74      -8.1988      1.00000
     75      -8.1633      1.00000
     76      -8.0093      1.00000
     77      -7.9639      1.00000
     78      -7.8501      1.00000
     79      -7.8400      1.00000
     80      -7.7039      1.00000
     81      -7.6965      1.00000
     82      -7.6224      1.00000
     83      -7.4490      1.00000
     84      -7.3010      1.00000
     85      -7.2533      1.00000
     86      -6.9061      1.00000
     87      -6.8924      1.00000
     88      -6.5889      1.00000
     89      -6.5514      1.00000
     90      -6.4056      1.00000
     91      -6.2536      1.00000
     92      -6.2329      1.00000
     93      -6.2053      1.00000
     94      -6.0231      1.00000
     95      -5.5500      1.00000
     96      -5.4889      1.00000
     97      -5.3503      1.00000
     98      -5.2196      1.00000
     99      -4.9793      1.00000
    100      -4.7326      1.00000
    101      -4.6779      1.00000
    102      -4.3876      1.00000
    103      -4.2031      1.00000
    104      -3.8709      1.00000
    105      -3.5462      1.00000
    106      -3.5099      1.00000
    107      -2.2562      0.00000
    108      -1.4563      0.00000
    109      -1.3712      0.00000
    110      -1.2416      0.00000
    111      -1.0976      0.00000
    112      -0.9447      0.00000
    113      -0.8634      0.00000
    114      -0.8030      0.00000
    115      -0.1394      0.00000
    116       0.1112      0.00000
    117       0.2409      0.00000
    118       0.3777      0.00000
    119       0.6467      0.00000
    120       0.8355      0.00000
    121       0.9367      0.00000
    122       1.0603      0.00000
    123       1.2279      0.00000
    124       1.4444      0.00000
    125       1.5409      0.00000
    126       1.7663      0.00000
    127       1.7925      0.00000
    128       1.8746      0.00000
    129       1.9589      0.00000
    130       2.0448      0.00000
    131       2.1670      0.00000
    132       2.1968      0.00000
    133       2.4041      0.00000
    134       2.4752      0.00000
    135       2.5401      0.00000
    136       2.6042      0.00000
    137       2.6405      0.00000
    138       2.6898      0.00000
    139       2.7749      0.00000
    140       2.8258      0.00000
    141       2.9407      0.00000
    142       3.0785      0.00000
    143       3.1936      0.00000
    144       3.2204      0.00000
    145       3.2639      0.00000
    146       3.3263      0.00000
    147       3.3295      0.00000
    148       3.4610      0.00000
    149       3.4898      0.00000
    150       3.6961      0.00000
    151       3.7040      0.00000
    152       3.7223      0.00000
    153       3.8524      0.00000
    154       3.9127      0.00000
    155       3.9409      0.00000
    156       3.9787      0.00000
    157       4.0207      0.00000
    158       4.0319      0.00000
    159       4.0451      0.00000
    160       4.0746      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2116      1.00000
      2     -22.1187      1.00000
      3     -21.9579      1.00000
      4     -21.4055      1.00000
      5     -21.0508      1.00000
      6     -21.0149      1.00000
      7     -20.5016      1.00000
      8     -20.4622      1.00000
      9     -20.2958      1.00000
     10     -20.2765      1.00000
     11     -19.9584      1.00000
     12     -19.8927      1.00000
     13     -18.8833      1.00000
     14     -18.8146      1.00000
     15     -18.3535      1.00000
     16     -18.3073      1.00000
     17     -18.1537      1.00000
     18     -18.1365      1.00000
     19     -17.8273      1.00000
     20     -17.7897      1.00000
     21     -17.2522      1.00000
     22     -17.2422      1.00000
     23     -17.1652      1.00000
     24     -17.1334      1.00000
     25     -16.1106      1.00000
     26     -15.8862      1.00000
     27     -15.8708      1.00000
     28     -15.8346      1.00000
     29     -15.2368      1.00000
     30     -14.5556      1.00000
     31     -14.5277      1.00000
     32     -14.2805      1.00000
     33     -13.9640      1.00000
     34     -13.9565      1.00000
     35     -13.8205      1.00000
     36     -13.8047      1.00000
     37     -13.6150      1.00000
     38     -13.5712      1.00000
     39     -13.3707      1.00000
     40     -12.6350      1.00000
     41     -12.1813      1.00000
     42     -12.1332      1.00000
     43     -12.0727      1.00000
     44     -12.0204      1.00000
     45     -11.6697      1.00000
     46     -11.6561      1.00000
     47     -11.1391      1.00000
     48     -11.1185      1.00000
     49     -10.7951      1.00000
     50     -10.7315      1.00000
     51     -10.5293      1.00000
     52     -10.2086      1.00000
     53     -10.2060      1.00000
     54     -10.1653      1.00000
     55     -10.0179      1.00000
     56     -10.0047      1.00000
     57      -9.9909      1.00000
     58      -9.8014      1.00000
     59      -9.7975      1.00000
     60      -9.7623      1.00000
     61      -9.7575      1.00000
     62      -9.4549      1.00000
     63      -9.4179      1.00000
     64      -9.0809      1.00000
     65      -9.0724      1.00000
     66      -9.0409      1.00000
     67      -8.9554      1.00000
     68      -8.8778      1.00000
     69      -8.7121      1.00000
     70      -8.6998      1.00000
     71      -8.5660      1.00000
     72      -8.5432      1.00000
     73      -8.4996      1.00000
     74      -8.4625      1.00000
     75      -8.4536      1.00000
     76      -8.2607      1.00000
     77      -8.1259      1.00000
     78      -8.0437      1.00000
     79      -7.9155      1.00000
     80      -7.8635      1.00000
     81      -7.6151      1.00000
     82      -7.5487      1.00000
     83      -7.4902      1.00000
     84      -7.2683      1.00000
     85      -6.9949      1.00000
     86      -6.9228      1.00000
     87      -6.8817      1.00000
     88      -6.5323      1.00000
     89      -6.4870      1.00000
     90      -6.4614      1.00000
     91      -6.4103      1.00000
     92      -5.9840      1.00000
     93      -5.8975      1.00000
     94      -5.7846      1.00000
     95      -5.7596      1.00000
     96      -5.4321      1.00000
     97      -5.3292      1.00000
     98      -5.2302      1.00000
     99      -5.2177      1.00000
    100      -5.1883      1.00000
    101      -4.6921      1.00000
    102      -4.4216      1.00000
    103      -4.2096      1.00000
    104      -3.8341      1.00000
    105      -3.5290      1.00000
    106      -3.2740      1.00000
    107      -2.5310      0.00000
    108      -1.4578      0.00000
    109      -1.2665      0.00000
    110      -1.2027      0.00000
    111      -1.1723      0.00000
    112      -0.7194      0.00000
    113      -0.5032      0.00000
    114      -0.4117      0.00000
    115      -0.3393      0.00000
    116      -0.1457      0.00000
    117      -0.0025      0.00000
    118       0.1937      0.00000
    119       0.5611      0.00000
    120       0.6126      0.00000
    121       0.7923      0.00000
    122       0.9020      0.00000
    123       1.1273      0.00000
    124       1.4862      0.00000
    125       1.6298      0.00000
    126       1.8412      0.00000
    127       1.9207      0.00000
    128       2.0990      0.00000
    129       2.1084      0.00000
    130       2.1678      0.00000
    131       2.1945      0.00000
    132       2.2798      0.00000
    133       2.3471      0.00000
    134       2.4743      0.00000
    135       2.5826      0.00000
    136       2.6529      0.00000
    137       2.8489      0.00000
    138       2.8709      0.00000
    139       2.8901      0.00000
    140       3.0158      0.00000
    141       3.0209      0.00000
    142       3.1340      0.00000
    143       3.1928      0.00000
    144       3.2332      0.00000
    145       3.2718      0.00000
    146       3.2795      0.00000
    147       3.2979      0.00000
    148       3.3428      0.00000
    149       3.4165      0.00000
    150       3.4376      0.00000
    151       3.5445      0.00000
    152       3.6196      0.00000
    153       3.7211      0.00000
    154       3.7396      0.00000
    155       3.7648      0.00000
    156       3.8901      0.00000
    157       3.9377      0.00000
    158       3.9997      0.00000
    159       4.1198      0.00000
    160       4.2143      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3185      1.00000
      2     -21.9654      1.00000
      3     -21.8933      1.00000
      4     -21.3856      1.00000
      5     -21.3492      1.00000
      6     -20.8404      1.00000
      7     -20.7740      1.00000
      8     -20.6259      1.00000
      9     -20.0904      1.00000
     10     -20.0617      1.00000
     11     -19.7193      1.00000
     12     -19.6905      1.00000
     13     -19.0105      1.00000
     14     -18.9794      1.00000
     15     -18.6504      1.00000
     16     -18.6176      1.00000
     17     -18.4613      1.00000
     18     -17.6610      1.00000
     19     -17.6473      1.00000
     20     -17.6111      1.00000
     21     -17.5786      1.00000
     22     -17.1377      1.00000
     23     -17.0977      1.00000
     24     -16.9660      1.00000
     25     -16.0084      1.00000
     26     -15.9235      1.00000
     27     -15.5995      1.00000
     28     -15.5759      1.00000
     29     -15.2800      1.00000
     30     -14.8771      1.00000
     31     -14.8301      1.00000
     32     -14.5750      1.00000
     33     -14.5372      1.00000
     34     -14.1640      1.00000
     35     -14.1599      1.00000
     36     -13.1623      1.00000
     37     -13.0966      1.00000
     38     -13.0235      1.00000
     39     -13.0186      1.00000
     40     -12.7181      1.00000
     41     -12.6949      1.00000
     42     -12.3411      1.00000
     43     -12.3139      1.00000
     44     -11.6314      1.00000
     45     -11.6222      1.00000
     46     -11.5703      1.00000
     47     -10.9408      1.00000
     48     -10.9229      1.00000
     49     -10.6692      1.00000
     50     -10.5898      1.00000
     51     -10.5733      1.00000
     52     -10.5006      1.00000
     53     -10.4894      1.00000
     54     -10.4390      1.00000
     55     -10.3565      1.00000
     56     -10.1044      1.00000
     57      -9.8984      1.00000
     58      -9.6089      1.00000
     59      -9.5516      1.00000
     60      -9.4547      1.00000
     61      -9.4176      1.00000
     62      -9.4096      1.00000
     63      -9.3796      1.00000
     64      -9.3724      1.00000
     65      -9.2680      1.00000
     66      -9.1647      1.00000
     67      -9.1408      1.00000
     68      -9.1154      1.00000
     69      -8.8659      1.00000
     70      -8.8598      1.00000
     71      -8.8028      1.00000
     72      -8.5968      1.00000
     73      -8.5271      1.00000
     74      -8.1927      1.00000
     75      -8.1702      1.00000
     76      -8.0761      1.00000
     77      -7.8577      1.00000
     78      -7.8368      1.00000
     79      -7.8240      1.00000
     80      -7.7102      1.00000
     81      -7.6957      1.00000
     82      -7.5978      1.00000
     83      -7.5302      1.00000
     84      -7.3506      1.00000
     85      -7.1681      1.00000
     86      -6.9046      1.00000
     87      -6.8955      1.00000
     88      -6.5927      1.00000
     89      -6.5515      1.00000
     90      -6.4058      1.00000
     91      -6.3023      1.00000
     92      -6.2476      1.00000
     93      -6.2004      1.00000
     94      -6.0040      1.00000
     95      -5.5318      1.00000
     96      -5.4653      1.00000
     97      -5.3141      1.00000
     98      -5.2095      1.00000
     99      -5.0469      1.00000
    100      -4.7235      1.00000
    101      -4.6715      1.00000
    102      -4.4240      1.00000
    103      -4.1948      1.00000
    104      -3.8428      1.00000
    105      -3.6344      1.00000
    106      -3.4162      1.00000
    107      -2.2923      0.00000
    108      -1.5091      0.00000
    109      -1.2697      0.00000
    110      -1.2621      0.00000
    111      -1.0341      0.00000
    112      -0.9777      0.00000
    113      -0.8679      0.00000
    114      -0.7996      0.00000
    115      -0.2617      0.00000
    116       0.2047      0.00000
    117       0.2398      0.00000
    118       0.3597      0.00000
    119       0.6862      0.00000
    120       0.8940      0.00000
    121       0.9235      0.00000
    122       1.0371      0.00000
    123       1.1625      0.00000
    124       1.5054      0.00000
    125       1.5507      0.00000
    126       1.7063      0.00000
    127       1.7781      0.00000
    128       1.8335      0.00000
    129       1.9628      0.00000
    130       1.9789      0.00000
    131       2.1884      0.00000
    132       2.2521      0.00000
    133       2.4066      0.00000
    134       2.4822      0.00000
    135       2.5399      0.00000
    136       2.5999      0.00000
    137       2.6189      0.00000
    138       2.6928      0.00000
    139       2.7553      0.00000
    140       2.8547      0.00000
    141       3.0295      0.00000
    142       3.0764      0.00000
    143       3.1892      0.00000
    144       3.2515      0.00000
    145       3.2671      0.00000
    146       3.2984      0.00000
    147       3.3538      0.00000
    148       3.4451      0.00000
    149       3.5119      0.00000
    150       3.6864      0.00000
    151       3.7163      0.00000
    152       3.7408      0.00000
    153       3.8260      0.00000
    154       3.8909      0.00000
    155       3.9270      0.00000
    156       3.9762      0.00000
    157       4.0061      0.00000
    158       4.0462      0.00000
    159       4.0551      0.00000
    160       4.0876      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3907      1.00000
      2     -21.8318      1.00000
      3     -21.6424      1.00000
      4     -21.6074      1.00000
      5     -21.2798      1.00000
      6     -21.2327      1.00000
      7     -21.0574      1.00000
      8     -20.1723      1.00000
      9     -20.1262      1.00000
     10     -19.6176      1.00000
     11     -19.5914      1.00000
     12     -19.4164      1.00000
     13     -19.0953      1.00000
     14     -19.0566      1.00000
     15     -19.0522      1.00000
     16     -19.0395      1.00000
     17     -18.3673      1.00000
     18     -18.3476      1.00000
     19     -18.0173      1.00000
     20     -17.0728      1.00000
     21     -17.0240      1.00000
     22     -16.9500      1.00000
     23     -16.9361      1.00000
     24     -16.4749      1.00000
     25     -16.4630      1.00000
     26     -15.6097      1.00000
     27     -15.6092      1.00000
     28     -15.2501      1.00000
     29     -15.2380      1.00000
     30     -15.1921      1.00000
     31     -15.1019      1.00000
     32     -15.0690      1.00000
     33     -14.6984      1.00000
     34     -14.6975      1.00000
     35     -13.7250      1.00000
     36     -13.7249      1.00000
     37     -13.2357      1.00000
     38     -12.6243      1.00000
     39     -12.5802      1.00000
     40     -12.4552      1.00000
     41     -12.4499      1.00000
     42     -12.1048      1.00000
     43     -12.0999      1.00000
     44     -11.7214      1.00000
     45     -11.6828      1.00000
     46     -11.2452      1.00000
     47     -11.2245      1.00000
     48     -11.0179      1.00000
     49     -11.0062      1.00000
     50     -10.9276      1.00000
     51     -10.8989      1.00000
     52     -10.6376      1.00000
     53     -10.1726      1.00000
     54     -10.1496      1.00000
     55     -10.0849      1.00000
     56      -9.9926      1.00000
     57      -9.6962      1.00000
     58      -9.6897      1.00000
     59      -9.6709      1.00000
     60      -9.5911      1.00000
     61      -9.5670      1.00000
     62      -9.5541      1.00000
     63      -9.3130      1.00000
     64      -9.3002      1.00000
     65      -9.2836      1.00000
     66      -9.2425      1.00000
     67      -9.1226      1.00000
     68      -9.1126      1.00000
     69      -9.1110      1.00000
     70      -8.9400      1.00000
     71      -8.8747      1.00000
     72      -8.6044      1.00000
     73      -8.5856      1.00000
     74      -8.2713      1.00000
     75      -8.1014      1.00000
     76      -7.8669      1.00000
     77      -7.8439      1.00000
     78      -7.7907      1.00000
     79      -7.7647      1.00000
     80      -7.7556      1.00000
     81      -7.4474      1.00000
     82      -7.3346      1.00000
     83      -7.3231      1.00000
     84      -7.2663      1.00000
     85      -7.1628      1.00000
     86      -7.0142      1.00000
     87      -6.9868      1.00000
     88      -6.7178      1.00000
     89      -6.6907      1.00000
     90      -6.6318      1.00000
     91      -6.5907      1.00000
     92      -6.1176      1.00000
     93      -6.0586      1.00000
     94      -6.0447      1.00000
     95      -6.0281      1.00000
     96      -5.7479      1.00000
     97      -4.9747      1.00000
     98      -4.8395      1.00000
     99      -4.7089      1.00000
    100      -4.6733      1.00000
    101      -4.4837      1.00000
    102      -4.3522      1.00000
    103      -4.1118      1.00000
    104      -4.0555      1.00000
    105      -3.7550      1.00000
    106      -3.4653      1.00000
    107      -1.9503      0.00000
    108      -1.7709      0.00000
    109      -1.4796      0.00000
    110      -1.3553      0.00000
    111      -1.3357      0.00000
    112      -1.2925      0.00000
    113      -0.6784      0.00000
    114      -0.4718      0.00000
    115      -0.2351      0.00000
    116       0.0515      0.00000
    117       0.5822      0.00000
    118       0.6927      0.00000
    119       0.7701      0.00000
    120       1.0222      0.00000
    121       1.0972      0.00000
    122       1.1751      0.00000
    123       1.2484      0.00000
    124       1.3312      0.00000
    125       1.4271      0.00000
    126       1.5893      0.00000
    127       1.7673      0.00000
    128       1.8401      0.00000
    129       1.8618      0.00000
    130       1.8852      0.00000
    131       2.0476      0.00000
    132       2.2120      0.00000
    133       2.2231      0.00000
    134       2.2772      0.00000
    135       2.4758      0.00000
    136       2.6109      0.00000
    137       2.6523      0.00000
    138       2.7408      0.00000
    139       2.7952      0.00000
    140       2.8361      0.00000
    141       2.8457      0.00000
    142       2.8864      0.00000
    143       2.9560      0.00000
    144       3.0726      0.00000
    145       3.3100      0.00000
    146       3.3572      0.00000
    147       3.4129      0.00000
    148       3.4233      0.00000
    149       3.4272      0.00000
    150       3.6007      0.00000
    151       3.6594      0.00000
    152       3.6734      0.00000
    153       3.7264      0.00000
    154       3.8921      0.00000
    155       3.9176      0.00000
    156       3.9548      0.00000
    157       4.1038      0.00000
    158       4.2011      0.00000
    159       4.2525      0.00000
    160       4.2797      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2107      1.00000
      2     -22.1200      1.00000
      3     -21.9576      1.00000
      4     -21.4055      1.00000
      5     -21.0470      1.00000
      6     -21.0187      1.00000
      7     -20.4968      1.00000
      8     -20.4669      1.00000
      9     -20.2870      1.00000
     10     -20.2851      1.00000
     11     -19.9573      1.00000
     12     -19.8942      1.00000
     13     -18.8838      1.00000
     14     -18.8163      1.00000
     15     -18.3383      1.00000
     16     -18.3193      1.00000
     17     -18.1495      1.00000
     18     -18.1421      1.00000
     19     -17.8163      1.00000
     20     -17.7983      1.00000
     21     -17.2583      1.00000
     22     -17.2388      1.00000
     23     -17.1605      1.00000
     24     -17.1357      1.00000
     25     -16.1173      1.00000
     26     -15.8808      1.00000
     27     -15.8698      1.00000
     28     -15.8406      1.00000
     29     -15.2310      1.00000
     30     -14.5509      1.00000
     31     -14.5325      1.00000
     32     -14.2757      1.00000
     33     -13.9753      1.00000
     34     -13.9517      1.00000
     35     -13.8250      1.00000
     36     -13.8027      1.00000
     37     -13.6040      1.00000
     38     -13.5788      1.00000
     39     -13.3709      1.00000
     40     -12.6394      1.00000
     41     -12.1687      1.00000
     42     -12.1424      1.00000
     43     -12.0681      1.00000
     44     -12.0213      1.00000
     45     -11.6652      1.00000
     46     -11.6605      1.00000
     47     -11.1364      1.00000
     48     -11.1253      1.00000
     49     -10.7900      1.00000
     50     -10.7339      1.00000
     51     -10.5360      1.00000
     52     -10.2086      1.00000
     53     -10.2024      1.00000
     54     -10.1710      1.00000
     55     -10.0230      1.00000
     56      -9.9947      1.00000
     57      -9.9904      1.00000
     58      -9.8052      1.00000
     59      -9.7962      1.00000
     60      -9.7645      1.00000
     61      -9.7565      1.00000
     62      -9.4539      1.00000
     63      -9.4178      1.00000
     64      -9.0849      1.00000
     65      -9.0460      1.00000
     66      -9.0259      1.00000
     67      -8.9692      1.00000
     68      -8.8980      1.00000
     69      -8.7083      1.00000
     70      -8.6990      1.00000
     71      -8.5594      1.00000
     72      -8.5487      1.00000
     73      -8.4780      1.00000
     74      -8.4594      1.00000
     75      -8.4568      1.00000
     76      -8.3086      1.00000
     77      -8.0954      1.00000
     78      -8.0895      1.00000
     79      -7.9266      1.00000
     80      -7.8322      1.00000
     81      -7.6011      1.00000
     82      -7.5363      1.00000
     83      -7.4440      1.00000
     84      -7.3145      1.00000
     85      -6.9939      1.00000
     86      -6.9191      1.00000
     87      -6.8822      1.00000
     88      -6.5270      1.00000
     89      -6.5147      1.00000
     90      -6.4804      1.00000
     91      -6.4206      1.00000
     92      -5.9272      1.00000
     93      -5.9053      1.00000
     94      -5.7888      1.00000
     95      -5.7749      1.00000
     96      -5.3693      1.00000
     97      -5.3631      1.00000
     98      -5.2203      1.00000
     99      -5.2153      1.00000
    100      -5.1988      1.00000
    101      -4.7203      1.00000
    102      -4.4425      1.00000
    103      -4.1909      1.00000
    104      -3.8204      1.00000
    105      -3.5653      1.00000
    106      -3.2214      1.00000
    107      -2.5623      0.00000
    108      -1.4629      0.00000
    109      -1.2672      0.00000
    110      -1.1849      0.00000
    111      -1.1834      0.00000
    112      -0.6446      0.00000
    113      -0.5512      0.00000
    114      -0.4145      0.00000
    115      -0.3471      0.00000
    116      -0.0775      0.00000
    117      -0.0632      0.00000
    118       0.1258      0.00000
    119       0.5934      0.00000
    120       0.6262      0.00000
    121       0.8504      0.00000
    122       0.9801      0.00000
    123       0.9996      0.00000
    124       1.4903      0.00000
    125       1.6787      0.00000
    126       1.7520      0.00000
    127       1.8516      0.00000
    128       2.1036      0.00000
    129       2.1615      0.00000
    130       2.1929      0.00000
    131       2.2103      0.00000
    132       2.2600      0.00000
    133       2.3604      0.00000
    134       2.4890      0.00000
    135       2.5221      0.00000
    136       2.6578      0.00000
    137       2.8527      0.00000
    138       2.8582      0.00000
    139       2.9487      0.00000
    140       3.0027      0.00000
    141       3.0341      0.00000
    142       3.1298      0.00000
    143       3.2072      0.00000
    144       3.2407      0.00000
    145       3.2497      0.00000
    146       3.2781      0.00000
    147       3.2998      0.00000
    148       3.3504      0.00000
    149       3.4117      0.00000
    150       3.5423      0.00000
    151       3.5601      0.00000
    152       3.6400      0.00000
    153       3.6593      0.00000
    154       3.7161      0.00000
    155       3.7365      0.00000
    156       3.8918      0.00000
    157       3.9591      0.00000
    158       4.0298      0.00000
    159       4.0652      0.00000
    160       4.1743      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2843      1.00000
      2     -22.0797      1.00000
      3     -21.7212      1.00000
      4     -21.6820      1.00000
      5     -20.9837      1.00000
      6     -20.9359      1.00000
      7     -20.6122      1.00000
      8     -20.5800      1.00000
      9     -20.5665      1.00000
     10     -20.0331      1.00000
     11     -19.5140      1.00000
     12     -19.4839      1.00000
     13     -19.3120      1.00000
     14     -19.2990      1.00000
     15     -18.4503      1.00000
     16     -18.4071      1.00000
     17     -17.9280      1.00000
     18     -17.9076      1.00000
     19     -17.7665      1.00000
     20     -17.7216      1.00000
     21     -17.4420      1.00000
     22     -17.4235      1.00000
     23     -17.3386      1.00000
     24     -16.4711      1.00000
     25     -16.4608      1.00000
     26     -15.9712      1.00000
     27     -15.4111      1.00000
     28     -15.4102      1.00000
     29     -15.0960      1.00000
     30     -15.0930      1.00000
     31     -14.8532      1.00000
     32     -14.8409      1.00000
     33     -14.2981      1.00000
     34     -14.2545      1.00000
     35     -13.4445      1.00000
     36     -13.4007      1.00000
     37     -13.1751      1.00000
     38     -13.1737      1.00000
     39     -12.9862      1.00000
     40     -12.9773      1.00000
     41     -12.6106      1.00000
     42     -12.6085      1.00000
     43     -12.1971      1.00000
     44     -11.5793      1.00000
     45     -11.5382      1.00000
     46     -11.3132      1.00000
     47     -11.2829      1.00000
     48     -11.1423      1.00000
     49     -10.6922      1.00000
     50     -10.6628      1.00000
     51     -10.5473      1.00000
     52     -10.3225      1.00000
     53     -10.3148      1.00000
     54     -10.1761      1.00000
     55     -10.1210      1.00000
     56     -10.1077      1.00000
     57      -9.8118      1.00000
     58      -9.7527      1.00000
     59      -9.7522      1.00000
     60      -9.7024      1.00000
     61      -9.6984      1.00000
     62      -9.6473      1.00000
     63      -9.3527      1.00000
     64      -9.3512      1.00000
     65      -9.3174      1.00000
     66      -9.0282      1.00000
     67      -8.9615      1.00000
     68      -8.9577      1.00000
     69      -8.7757      1.00000
     70      -8.5911      1.00000
     71      -8.5885      1.00000
     72      -8.4240      1.00000
     73      -8.3498      1.00000
     74      -8.3221      1.00000
     75      -8.3019      1.00000
     76      -8.2653      1.00000
     77      -8.2536      1.00000
     78      -8.2389      1.00000
     79      -7.9217      1.00000
     80      -7.7342      1.00000
     81      -7.3796      1.00000
     82      -7.3501      1.00000
     83      -7.3238      1.00000
     84      -7.2173      1.00000
     85      -7.1604      1.00000
     86      -7.0654      1.00000
     87      -6.9609      1.00000
     88      -6.9054      1.00000
     89      -6.6127      1.00000
     90      -6.5566      1.00000
     91      -6.2702      1.00000
     92      -5.9967      1.00000
     93      -5.9594      1.00000
     94      -5.6752      1.00000
     95      -5.6486      1.00000
     96      -5.3874      1.00000
     97      -5.3150      1.00000
     98      -5.2939      1.00000
     99      -5.2119      1.00000
    100      -5.2003      1.00000
    101      -4.5117      1.00000
    102      -4.3387      1.00000
    103      -3.9964      1.00000
    104      -3.8859      1.00000
    105      -3.7929      1.00000
    106      -3.4432      1.00000
    107      -2.0342      0.00000
    108      -1.8631      0.00000
    109      -1.2174      0.00000
    110      -1.1841      0.00000
    111      -1.0355      0.00000
    112      -0.7720      0.00000
    113      -0.6771      0.00000
    114      -0.6596      0.00000
    115      -0.6094      0.00000
    116      -0.1019      0.00000
    117       0.2228      0.00000
    118       0.2395      0.00000
    119       0.7642      0.00000
    120       0.9793      0.00000
    121       1.0731      0.00000
    122       1.2404      0.00000
    123       1.2502      0.00000
    124       1.3370      0.00000
    125       1.5752      0.00000
    126       1.5852      0.00000
    127       1.6926      0.00000
    128       1.7951      0.00000
    129       1.9386      0.00000
    130       1.9500      0.00000
    131       2.0983      0.00000
    132       2.3055      0.00000
    133       2.3427      0.00000
    134       2.4092      0.00000
    135       2.5346      0.00000
    136       2.6247      0.00000
    137       2.7817      0.00000
    138       2.8372      0.00000
    139       2.8425      0.00000
    140       2.8647      0.00000
    141       3.0448      0.00000
    142       3.0937      0.00000
    143       3.1427      0.00000
    144       3.2152      0.00000
    145       3.3710      0.00000
    146       3.4093      0.00000
    147       3.4985      0.00000
    148       3.5439      0.00000
    149       3.5884      0.00000
    150       3.6097      0.00000
    151       3.6410      0.00000
    152       3.7315      0.00000
    153       3.7383      0.00000
    154       3.7791      0.00000
    155       3.8312      0.00000
    156       3.8760      0.00000
    157       4.0168      0.00000
    158       4.0803      0.00000
    159       4.1618      0.00000
    160       4.2019      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4274      1.00000
      2     -21.6041      1.00000
      3     -21.4824      1.00000
      4     -21.4733      1.00000
      5     -21.4417      1.00000
      6     -21.4410      1.00000
      7     -21.4308      1.00000
      8     -19.7082      1.00000
      9     -19.6533      1.00000
     10     -19.6300      1.00000
     11     -19.6190      1.00000
     12     -19.6137      1.00000
     13     -19.6127      1.00000
     14     -18.7903      1.00000
     15     -18.7552      1.00000
     16     -18.7354      1.00000
     17     -18.7259      1.00000
     18     -18.7188      1.00000
     19     -18.7134      1.00000
     20     -16.6351      1.00000
     21     -16.6092      1.00000
     22     -16.5848      1.00000
     23     -16.5814      1.00000
     24     -16.5544      1.00000
     25     -16.5527      1.00000
     26     -15.6152      1.00000
     27     -15.6023      1.00000
     28     -15.5991      1.00000
     29     -15.5650      1.00000
     30     -15.5632      1.00000
     31     -15.5624      1.00000
     32     -14.2601      1.00000
     33     -14.2507      1.00000
     34     -14.2407      1.00000
     35     -14.2357      1.00000
     36     -14.2226      1.00000
     37     -14.2197      1.00000
     38     -11.9056      1.00000
     39     -11.8787      1.00000
     40     -11.8674      1.00000
     41     -11.8655      1.00000
     42     -11.8447      1.00000
     43     -11.8445      1.00000
     44     -11.7712      1.00000
     45     -11.7685      1.00000
     46     -11.7359      1.00000
     47     -11.7292      1.00000
     48     -11.7248      1.00000
     49     -11.7225      1.00000
     50     -10.6765      1.00000
     51     -10.3887      1.00000
     52     -10.3836      1.00000
     53     -10.3767      1.00000
     54     -10.3690      1.00000
     55     -10.3556      1.00000
     56     -10.3535      1.00000
     57      -9.9043      1.00000
     58      -9.4509      1.00000
     59      -9.4059      1.00000
     60      -9.3629      1.00000
     61      -9.3623      1.00000
     62      -9.3545      1.00000
     63      -9.1422      1.00000
     64      -9.1214      1.00000
     65      -9.1209      1.00000
     66      -9.0844      1.00000
     67      -9.0716      1.00000
     68      -9.0710      1.00000
     69      -9.0709      1.00000
     70      -9.0638      1.00000
     71      -9.0637      1.00000
     72      -9.0381      1.00000
     73      -9.0286      1.00000
     74      -9.0253      1.00000
     75      -8.1303      1.00000
     76      -7.7458      1.00000
     77      -7.4682      1.00000
     78      -7.4663      1.00000
     79      -7.4534      1.00000
     80      -7.4337      1.00000
     81      -7.4243      1.00000
     82      -7.4062      1.00000
     83      -7.3129      1.00000
     84      -7.2711      1.00000
     85      -7.2575      1.00000
     86      -7.2490      1.00000
     87      -7.1509      1.00000
     88      -7.0496      1.00000
     89      -6.4463      1.00000
     90      -6.4160      1.00000
     91      -6.4004      1.00000
     92      -6.3637      1.00000
     93      -6.3529      1.00000
     94      -6.3407      1.00000
     95      -5.9582      1.00000
     96      -5.9575      1.00000
     97      -4.8064      1.00000
     98      -4.5442      1.00000
     99      -4.4813      1.00000
    100      -4.4742      1.00000
    101      -4.3821      1.00000
    102      -4.3815      1.00000
    103      -4.2679      1.00000
    104      -4.1873      1.00000
    105      -3.7393      1.00000
    106      -3.4775      1.00000
    107      -1.8616      0.00000
    108      -1.6705      0.00000
    109      -1.6239      0.00000
    110      -1.5911      0.00000
    111      -1.5756      0.00000
    112      -1.5747      0.00000
    113      -0.4289      0.00000
    114       0.1458      0.00000
    115       0.1924      0.00000
    116       0.2560      0.00000
    117       0.2677      0.00000
    118       0.2717      0.00000
    119       0.4770      0.00000
    120       0.5423      0.00000
    121       1.2425      0.00000
    122       1.2887      0.00000
    123       1.5273      0.00000
    124       1.7662      0.00000
    125       1.7692      0.00000
    126       1.7692      0.00000
    127       1.8118      0.00000
    128       1.8280      0.00000
    129       1.9591      0.00000
    130       1.9673      0.00000
    131       1.9747      0.00000
    132       1.9896      0.00000
    133       1.9968      0.00000
    134       2.0734      0.00000
    135       2.2409      0.00000
    136       2.3463      0.00000
    137       2.5967      0.00000
    138       2.5996      0.00000
    139       2.6236      0.00000
    140       2.7059      0.00000
    141       2.9300      0.00000
    142       3.0558      0.00000
    143       3.0768      0.00000
    144       3.1036      0.00000
    145       3.1137      0.00000
    146       3.1181      0.00000
    147       3.1225      0.00000
    148       3.2703      0.00000
    149       3.4518      0.00000
    150       3.5021      0.00000
    151       3.8264      0.00000
    152       3.9558      0.00000
    153       3.9598      0.00000
    154       3.9604      0.00000
    155       3.9657      0.00000
    156       3.9952      0.00000
    157       4.1840      0.00000
    158       4.2591      0.00000
    159       4.2721      0.00000
    160       4.2805      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3907      1.00000
      2     -21.8315      1.00000
      3     -21.6392      1.00000
      4     -21.6114      1.00000
      5     -21.2756      1.00000
      6     -21.2362      1.00000
      7     -21.0578      1.00000
      8     -20.1685      1.00000
      9     -20.1303      1.00000
     10     -19.6094      1.00000
     11     -19.5983      1.00000
     12     -19.4179      1.00000
     13     -19.0903      1.00000
     14     -19.0606      1.00000
     15     -19.0495      1.00000
     16     -19.0421      1.00000
     17     -18.3612      1.00000
     18     -18.3528      1.00000
     19     -18.0195      1.00000
     20     -17.0695      1.00000
     21     -17.0307      1.00000
     22     -16.9441      1.00000
     23     -16.9403      1.00000
     24     -16.4682      1.00000
     25     -16.4635      1.00000
     26     -15.6147      1.00000
     27     -15.6077      1.00000
     28     -15.2530      1.00000
     29     -15.2438      1.00000
     30     -15.1850      1.00000
     31     -15.0981      1.00000
     32     -15.0713      1.00000
     33     -14.6989      1.00000
     34     -14.6969      1.00000
     35     -13.7267      1.00000
     36     -13.7242      1.00000
     37     -13.2358      1.00000
     38     -12.6141      1.00000
     39     -12.5839      1.00000
     40     -12.4545      1.00000
     41     -12.4509      1.00000
     42     -12.1093      1.00000
     43     -12.1047      1.00000
     44     -11.7176      1.00000
     45     -11.6867      1.00000
     46     -11.2351      1.00000
     47     -11.2258      1.00000
     48     -11.0177      1.00000
     49     -11.0098      1.00000
     50     -10.9269      1.00000
     51     -10.9054      1.00000
     52     -10.6316      1.00000
     53     -10.1549      1.00000
     54     -10.1509      1.00000
     55     -10.0916      1.00000
     56      -9.9989      1.00000
     57      -9.7031      1.00000
     58      -9.6948      1.00000
     59      -9.6564      1.00000
     60      -9.5919      1.00000
     61      -9.5768      1.00000
     62      -9.5588      1.00000
     63      -9.3069      1.00000
     64      -9.3031      1.00000
     65      -9.2745      1.00000
     66      -9.2367      1.00000
     67      -9.1372      1.00000
     68      -9.1148      1.00000
     69      -9.1113      1.00000
     70      -8.9401      1.00000
     71      -8.8722      1.00000
     72      -8.6042      1.00000
     73      -8.5906      1.00000
     74      -8.2368      1.00000
     75      -8.1001      1.00000
     76      -7.9134      1.00000
     77      -7.8637      1.00000
     78      -7.7713      1.00000
     79      -7.7566      1.00000
     80      -7.6924      1.00000
     81      -7.5607      1.00000
     82      -7.3384      1.00000
     83      -7.3224      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0121      1.00000
     88      -6.7046      1.00000
     89      -6.6783      1.00000
     90      -6.6412      1.00000
     91      -6.5978      1.00000
     92      -6.1153      1.00000
     93      -6.0622      1.00000
     94      -6.0310      1.00000
     95      -6.0115      1.00000
     96      -5.7833      1.00000
     97      -4.9744      1.00000
     98      -4.8320      1.00000
     99      -4.7469      1.00000
    100      -4.6793      1.00000
    101      -4.4689      1.00000
    102      -4.2036      1.00000
    103      -4.1718      1.00000
    104      -4.1279      1.00000
    105      -3.7296      1.00000
    106      -3.4877      1.00000
    107      -1.8701      0.00000
    108      -1.8087      0.00000
    109      -1.5241      0.00000
    110      -1.3774      0.00000
    111      -1.3211      0.00000
    112      -1.2878      0.00000
    113      -0.7197      0.00000
    114      -0.3758      0.00000
    115      -0.2498      0.00000
    116       0.0368      0.00000
    117       0.5514      0.00000
    118       0.6977      0.00000
    119       0.7462      0.00000
    120       1.0473      0.00000
    121       1.1002      0.00000
    122       1.1474      0.00000
    123       1.2267      0.00000
    124       1.3732      0.00000
    125       1.5186      0.00000
    126       1.5737      0.00000
    127       1.7119      0.00000
    128       1.8194      0.00000
    129       1.8592      0.00000
    130       1.8810      0.00000
    131       2.0941      0.00000
    132       2.1789      0.00000
    133       2.2368      0.00000
    134       2.2993      0.00000
    135       2.5065      0.00000
    136       2.5792      0.00000
    137       2.6531      0.00000
    138       2.7756      0.00000
    139       2.7959      0.00000
    140       2.8272      0.00000
    141       2.8725      0.00000
    142       2.8961      0.00000
    143       2.9505      0.00000
    144       3.0692      0.00000
    145       3.1464      0.00000
    146       3.3135      0.00000
    147       3.3967      0.00000
    148       3.4419      0.00000
    149       3.4649      0.00000
    150       3.6169      0.00000
    151       3.6469      0.00000
    152       3.6735      0.00000
    153       3.7147      0.00000
    154       3.9052      0.00000
    155       3.9563      0.00000
    156       4.0109      0.00000
    157       4.0636      0.00000
    158       4.2346      0.00000
    159       4.2483      0.00000
    160       4.2713      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2847      1.00000
      2     -22.0790      1.00000
      3     -21.7177      1.00000
      4     -21.6858      1.00000
      5     -20.9804      1.00000
      6     -20.9398      1.00000
      7     -20.6127      1.00000
      8     -20.5761      1.00000
      9     -20.5698      1.00000
     10     -20.0334      1.00000
     11     -19.5042      1.00000
     12     -19.4924      1.00000
     13     -19.3075      1.00000
     14     -19.3024      1.00000
     15     -18.4482      1.00000
     16     -18.4115      1.00000
     17     -17.9227      1.00000
     18     -17.9134      1.00000
     19     -17.7620      1.00000
     20     -17.7263      1.00000
     21     -17.4362      1.00000
     22     -17.4289      1.00000
     23     -17.3412      1.00000
     24     -16.4632      1.00000
     25     -16.4620      1.00000
     26     -15.9674      1.00000
     27     -15.4148      1.00000
     28     -15.4093      1.00000
     29     -15.0970      1.00000
     30     -15.0935      1.00000
     31     -14.8552      1.00000
     32     -14.8475      1.00000
     33     -14.2904      1.00000
     34     -14.2576      1.00000
     35     -13.4366      1.00000
     36     -13.4042      1.00000
     37     -13.1776      1.00000
     38     -13.1743      1.00000
     39     -12.9822      1.00000
     40     -12.9773      1.00000
     41     -12.6130      1.00000
     42     -12.6100      1.00000
     43     -12.1976      1.00000
     44     -11.5768      1.00000
     45     -11.5431      1.00000
     46     -11.3109      1.00000
     47     -11.2881      1.00000
     48     -11.1418      1.00000
     49     -10.6764      1.00000
     50     -10.6602      1.00000
     51     -10.5535      1.00000
     52     -10.3232      1.00000
     53     -10.3178      1.00000
     54     -10.1699      1.00000
     55     -10.1152      1.00000
     56     -10.1126      1.00000
     57      -9.7986      1.00000
     58      -9.7646      1.00000
     59      -9.7521      1.00000
     60      -9.7000      1.00000
     61      -9.6967      1.00000
     62      -9.6626      1.00000
     63      -9.3540      1.00000
     64      -9.3515      1.00000
     65      -9.3155      1.00000
     66      -9.0414      1.00000
     67      -8.9618      1.00000
     68      -8.9496      1.00000
     69      -8.7999      1.00000
     70      -8.5949      1.00000
     71      -8.5580      1.00000
     72      -8.3987      1.00000
     73      -8.3652      1.00000
     74      -8.3243      1.00000
     75      -8.3068      1.00000
     76      -8.2587      1.00000
     77      -8.2569      1.00000
     78      -8.2362      1.00000
     79      -7.9051      1.00000
     80      -7.6514      1.00000
     81      -7.5495      1.00000
     82      -7.3860      1.00000
     83      -7.3490      1.00000
     84      -7.2304      1.00000
     85      -7.0967      1.00000
     86      -7.0390      1.00000
     87      -6.9341      1.00000
     88      -6.8483      1.00000
     89      -6.6123      1.00000
     90      -6.5582      1.00000
     91      -6.2694      1.00000
     92      -6.0439      1.00000
     93      -5.9516      1.00000
     94      -5.6627      1.00000
     95      -5.6226      1.00000
     96      -5.4632      1.00000
     97      -5.3200      1.00000
     98      -5.2788      1.00000
     99      -5.2138      1.00000
    100      -5.1938      1.00000
    101      -4.5086      1.00000
    102      -4.2077      1.00000
    103      -4.0592      1.00000
    104      -3.9890      1.00000
    105      -3.6943      1.00000
    106      -3.4979      1.00000
    107      -1.9460      0.00000
    108      -1.8961      0.00000
    109      -1.3388      0.00000
    110      -1.0846      0.00000
    111      -1.0581      0.00000
    112      -0.8000      0.00000
    113      -0.6774      0.00000
    114      -0.6465      0.00000
    115      -0.6070      0.00000
    116      -0.1080      0.00000
    117       0.2158      0.00000
    118       0.3291      0.00000
    119       0.6896      0.00000
    120       0.8836      0.00000
    121       1.1262      0.00000
    122       1.1989      0.00000
    123       1.3221      0.00000
    124       1.4152      0.00000
    125       1.5524      0.00000
    126       1.5755      0.00000
    127       1.6715      0.00000
    128       1.8056      0.00000
    129       1.8768      0.00000
    130       2.0487      0.00000
    131       2.1347      0.00000
    132       2.3327      0.00000
    133       2.3651      0.00000
    134       2.3879      0.00000
    135       2.5365      0.00000
    136       2.6269      0.00000
    137       2.7240      0.00000
    138       2.7719      0.00000
    139       2.8399      0.00000
    140       2.8791      0.00000
    141       3.0440      0.00000
    142       3.0537      0.00000
    143       3.1549      0.00000
    144       3.2584      0.00000
    145       3.3554      0.00000
    146       3.4101      0.00000
    147       3.4258      0.00000
    148       3.5659      0.00000
    149       3.5819      0.00000
    150       3.5959      0.00000
    151       3.6577      0.00000
    152       3.6694      0.00000
    153       3.7766      0.00000
    154       3.8000      0.00000
    155       3.8204      0.00000
    156       3.8934      0.00000
    157       3.9140      0.00000
    158       3.9903      0.00000
    159       4.2074      0.00000
    160       4.2234      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3187      1.00000
      2     -21.9639      1.00000
      3     -21.8947      1.00000
      4     -21.3819      1.00000
      5     -21.3527      1.00000
      6     -20.8406      1.00000
      7     -20.7753      1.00000
      8     -20.6250      1.00000
      9     -20.0785      1.00000
     10     -20.0728      1.00000
     11     -19.7176      1.00000
     12     -19.6931      1.00000
     13     -18.9972      1.00000
     14     -18.9913      1.00000
     15     -18.6414      1.00000
     16     -18.6254      1.00000
     17     -18.4627      1.00000
     18     -17.6757      1.00000
     19     -17.6253      1.00000
     20     -17.6225      1.00000
     21     -17.5806      1.00000
     22     -17.1270      1.00000
     23     -17.1055      1.00000
     24     -16.9624      1.00000
     25     -16.0020      1.00000
     26     -15.9303      1.00000
     27     -15.5861      1.00000
     28     -15.5858      1.00000
     29     -15.2873      1.00000
     30     -14.8644      1.00000
     31     -14.8372      1.00000
     32     -14.5791      1.00000
     33     -14.5372      1.00000
     34     -14.1691      1.00000
     35     -14.1555      1.00000
     36     -13.1480      1.00000
     37     -13.1008      1.00000
     38     -13.0297      1.00000
     39     -13.0196      1.00000
     40     -12.7090      1.00000
     41     -12.7049      1.00000
     42     -12.3419      1.00000
     43     -12.3107      1.00000
     44     -11.6362      1.00000
     45     -11.6226      1.00000
     46     -11.5725      1.00000
     47     -10.9498      1.00000
     48     -10.9167      1.00000
     49     -10.6326      1.00000
     50     -10.6243      1.00000
     51     -10.5476      1.00000
     52     -10.4999      1.00000
     53     -10.4996      1.00000
     54     -10.4394      1.00000
     55     -10.3602      1.00000
     56     -10.1000      1.00000
     57      -9.9042      1.00000
     58      -9.6082      1.00000
     59      -9.5559      1.00000
     60      -9.4528      1.00000
     61      -9.4122      1.00000
     62      -9.4053      1.00000
     63      -9.3771      1.00000
     64      -9.3767      1.00000
     65      -9.2879      1.00000
     66      -9.1688      1.00000
     67      -9.1432      1.00000
     68      -9.1149      1.00000
     69      -8.8649      1.00000
     70      -8.8573      1.00000
     71      -8.8156      1.00000
     72      -8.5974      1.00000
     73      -8.4804      1.00000
     74      -8.1988      1.00000
     75      -8.1633      1.00000
     76      -8.0093      1.00000
     77      -7.9639      1.00000
     78      -7.8501      1.00000
     79      -7.8400      1.00000
     80      -7.7039      1.00000
     81      -7.6965      1.00000
     82      -7.6224      1.00000
     83      -7.4490      1.00000
     84      -7.3010      1.00000
     85      -7.2533      1.00000
     86      -6.9061      1.00000
     87      -6.8924      1.00000
     88      -6.5889      1.00000
     89      -6.5514      1.00000
     90      -6.4056      1.00000
     91      -6.2536      1.00000
     92      -6.2329      1.00000
     93      -6.2053      1.00000
     94      -6.0231      1.00000
     95      -5.5500      1.00000
     96      -5.4889      1.00000
     97      -5.3503      1.00000
     98      -5.2196      1.00000
     99      -4.9793      1.00000
    100      -4.7326      1.00000
    101      -4.6779      1.00000
    102      -4.3876      1.00000
    103      -4.2031      1.00000
    104      -3.8709      1.00000
    105      -3.5462      1.00000
    106      -3.5099      1.00000
    107      -2.2562      0.00000
    108      -1.4563      0.00000
    109      -1.3712      0.00000
    110      -1.2416      0.00000
    111      -1.0976      0.00000
    112      -0.9447      0.00000
    113      -0.8634      0.00000
    114      -0.8030      0.00000
    115      -0.1394      0.00000
    116       0.1112      0.00000
    117       0.2409      0.00000
    118       0.3777      0.00000
    119       0.6467      0.00000
    120       0.8355      0.00000
    121       0.9367      0.00000
    122       1.0603      0.00000
    123       1.2279      0.00000
    124       1.4445      0.00000
    125       1.5409      0.00000
    126       1.7663      0.00000
    127       1.7925      0.00000
    128       1.8746      0.00000
    129       1.9589      0.00000
    130       2.0448      0.00000
    131       2.1670      0.00000
    132       2.1969      0.00000
    133       2.4041      0.00000
    134       2.4754      0.00000
    135       2.5403      0.00000
    136       2.6042      0.00000
    137       2.6405      0.00000
    138       2.6898      0.00000
    139       2.7749      0.00000
    140       2.8258      0.00000
    141       2.9407      0.00000
    142       3.0785      0.00000
    143       3.1936      0.00000
    144       3.2205      0.00000
    145       3.2640      0.00000
    146       3.3263      0.00000
    147       3.3296      0.00000
    148       3.4610      0.00000
    149       3.4898      0.00000
    150       3.6961      0.00000
    151       3.7040      0.00000
    152       3.7224      0.00000
    153       3.8524      0.00000
    154       3.9127      0.00000
    155       3.9410      0.00000
    156       3.9787      0.00000
    157       4.0207      0.00000
    158       4.0319      0.00000
    159       4.0451      0.00000
    160       4.0747      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2116      1.00000
      2     -22.1187      1.00000
      3     -21.9579      1.00000
      4     -21.4055      1.00000
      5     -21.0508      1.00000
      6     -21.0149      1.00000
      7     -20.5016      1.00000
      8     -20.4622      1.00000
      9     -20.2958      1.00000
     10     -20.2765      1.00000
     11     -19.9584      1.00000
     12     -19.8927      1.00000
     13     -18.8833      1.00000
     14     -18.8146      1.00000
     15     -18.3535      1.00000
     16     -18.3073      1.00000
     17     -18.1537      1.00000
     18     -18.1365      1.00000
     19     -17.8273      1.00000
     20     -17.7897      1.00000
     21     -17.2522      1.00000
     22     -17.2422      1.00000
     23     -17.1652      1.00000
     24     -17.1334      1.00000
     25     -16.1106      1.00000
     26     -15.8862      1.00000
     27     -15.8708      1.00000
     28     -15.8346      1.00000
     29     -15.2368      1.00000
     30     -14.5556      1.00000
     31     -14.5277      1.00000
     32     -14.2805      1.00000
     33     -13.9640      1.00000
     34     -13.9565      1.00000
     35     -13.8205      1.00000
     36     -13.8047      1.00000
     37     -13.6150      1.00000
     38     -13.5712      1.00000
     39     -13.3707      1.00000
     40     -12.6350      1.00000
     41     -12.1813      1.00000
     42     -12.1332      1.00000
     43     -12.0727      1.00000
     44     -12.0204      1.00000
     45     -11.6697      1.00000
     46     -11.6561      1.00000
     47     -11.1391      1.00000
     48     -11.1185      1.00000
     49     -10.7951      1.00000
     50     -10.7315      1.00000
     51     -10.5293      1.00000
     52     -10.2086      1.00000
     53     -10.2060      1.00000
     54     -10.1653      1.00000
     55     -10.0179      1.00000
     56     -10.0047      1.00000
     57      -9.9909      1.00000
     58      -9.8014      1.00000
     59      -9.7975      1.00000
     60      -9.7623      1.00000
     61      -9.7575      1.00000
     62      -9.4549      1.00000
     63      -9.4179      1.00000
     64      -9.0809      1.00000
     65      -9.0724      1.00000
     66      -9.0409      1.00000
     67      -8.9554      1.00000
     68      -8.8778      1.00000
     69      -8.7121      1.00000
     70      -8.6998      1.00000
     71      -8.5660      1.00000
     72      -8.5432      1.00000
     73      -8.4996      1.00000
     74      -8.4625      1.00000
     75      -8.4536      1.00000
     76      -8.2607      1.00000
     77      -8.1259      1.00000
     78      -8.0437      1.00000
     79      -7.9155      1.00000
     80      -7.8635      1.00000
     81      -7.6151      1.00000
     82      -7.5487      1.00000
     83      -7.4902      1.00000
     84      -7.2683      1.00000
     85      -6.9949      1.00000
     86      -6.9228      1.00000
     87      -6.8817      1.00000
     88      -6.5323      1.00000
     89      -6.4870      1.00000
     90      -6.4614      1.00000
     91      -6.4103      1.00000
     92      -5.9840      1.00000
     93      -5.8975      1.00000
     94      -5.7846      1.00000
     95      -5.7596      1.00000
     96      -5.4321      1.00000
     97      -5.3292      1.00000
     98      -5.2302      1.00000
     99      -5.2177      1.00000
    100      -5.1883      1.00000
    101      -4.6921      1.00000
    102      -4.4216      1.00000
    103      -4.2096      1.00000
    104      -3.8341      1.00000
    105      -3.5290      1.00000
    106      -3.2740      1.00000
    107      -2.5310      0.00000
    108      -1.4578      0.00000
    109      -1.2665      0.00000
    110      -1.2027      0.00000
    111      -1.1723      0.00000
    112      -0.7194      0.00000
    113      -0.5032      0.00000
    114      -0.4117      0.00000
    115      -0.3393      0.00000
    116      -0.1457      0.00000
    117      -0.0025      0.00000
    118       0.1937      0.00000
    119       0.5611      0.00000
    120       0.6126      0.00000
    121       0.7923      0.00000
    122       0.9020      0.00000
    123       1.1273      0.00000
    124       1.4862      0.00000
    125       1.6298      0.00000
    126       1.8412      0.00000
    127       1.9207      0.00000
    128       2.0990      0.00000
    129       2.1084      0.00000
    130       2.1678      0.00000
    131       2.1946      0.00000
    132       2.2798      0.00000
    133       2.3472      0.00000
    134       2.4744      0.00000
    135       2.5827      0.00000
    136       2.6529      0.00000
    137       2.8489      0.00000
    138       2.8709      0.00000
    139       2.8901      0.00000
    140       3.0158      0.00000
    141       3.0209      0.00000
    142       3.1340      0.00000
    143       3.1929      0.00000
    144       3.2332      0.00000
    145       3.2718      0.00000
    146       3.2795      0.00000
    147       3.2979      0.00000
    148       3.3428      0.00000
    149       3.4165      0.00000
    150       3.4377      0.00000
    151       3.5445      0.00000
    152       3.6196      0.00000
    153       3.7213      0.00000
    154       3.7398      0.00000
    155       3.7648      0.00000
    156       3.8901      0.00000
    157       3.9377      0.00000
    158       3.9997      0.00000
    159       4.1198      0.00000
    160       4.2143      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3185      1.00000
      2     -21.9654      1.00000
      3     -21.8933      1.00000
      4     -21.3856      1.00000
      5     -21.3492      1.00000
      6     -20.8404      1.00000
      7     -20.7740      1.00000
      8     -20.6259      1.00000
      9     -20.0904      1.00000
     10     -20.0617      1.00000
     11     -19.7193      1.00000
     12     -19.6905      1.00000
     13     -19.0105      1.00000
     14     -18.9794      1.00000
     15     -18.6504      1.00000
     16     -18.6176      1.00000
     17     -18.4613      1.00000
     18     -17.6610      1.00000
     19     -17.6473      1.00000
     20     -17.6111      1.00000
     21     -17.5786      1.00000
     22     -17.1377      1.00000
     23     -17.0977      1.00000
     24     -16.9660      1.00000
     25     -16.0084      1.00000
     26     -15.9235      1.00000
     27     -15.5995      1.00000
     28     -15.5759      1.00000
     29     -15.2800      1.00000
     30     -14.8771      1.00000
     31     -14.8301      1.00000
     32     -14.5750      1.00000
     33     -14.5372      1.00000
     34     -14.1640      1.00000
     35     -14.1599      1.00000
     36     -13.1623      1.00000
     37     -13.0966      1.00000
     38     -13.0235      1.00000
     39     -13.0186      1.00000
     40     -12.7181      1.00000
     41     -12.6949      1.00000
     42     -12.3411      1.00000
     43     -12.3139      1.00000
     44     -11.6314      1.00000
     45     -11.6222      1.00000
     46     -11.5703      1.00000
     47     -10.9408      1.00000
     48     -10.9229      1.00000
     49     -10.6692      1.00000
     50     -10.5898      1.00000
     51     -10.5733      1.00000
     52     -10.5006      1.00000
     53     -10.4894      1.00000
     54     -10.4390      1.00000
     55     -10.3565      1.00000
     56     -10.1044      1.00000
     57      -9.8984      1.00000
     58      -9.6089      1.00000
     59      -9.5516      1.00000
     60      -9.4547      1.00000
     61      -9.4176      1.00000
     62      -9.4096      1.00000
     63      -9.3796      1.00000
     64      -9.3724      1.00000
     65      -9.2680      1.00000
     66      -9.1647      1.00000
     67      -9.1408      1.00000
     68      -9.1154      1.00000
     69      -8.8659      1.00000
     70      -8.8598      1.00000
     71      -8.8028      1.00000
     72      -8.5968      1.00000
     73      -8.5271      1.00000
     74      -8.1927      1.00000
     75      -8.1702      1.00000
     76      -8.0761      1.00000
     77      -7.8577      1.00000
     78      -7.8368      1.00000
     79      -7.8240      1.00000
     80      -7.7102      1.00000
     81      -7.6957      1.00000
     82      -7.5978      1.00000
     83      -7.5301      1.00000
     84      -7.3506      1.00000
     85      -7.1681      1.00000
     86      -6.9046      1.00000
     87      -6.8955      1.00000
     88      -6.5927      1.00000
     89      -6.5515      1.00000
     90      -6.4058      1.00000
     91      -6.3023      1.00000
     92      -6.2476      1.00000
     93      -6.2004      1.00000
     94      -6.0040      1.00000
     95      -5.5318      1.00000
     96      -5.4653      1.00000
     97      -5.3141      1.00000
     98      -5.2095      1.00000
     99      -5.0469      1.00000
    100      -4.7235      1.00000
    101      -4.6715      1.00000
    102      -4.4240      1.00000
    103      -4.1948      1.00000
    104      -3.8428      1.00000
    105      -3.6344      1.00000
    106      -3.4162      1.00000
    107      -2.2923      0.00000
    108      -1.5091      0.00000
    109      -1.2697      0.00000
    110      -1.2621      0.00000
    111      -1.0341      0.00000
    112      -0.9777      0.00000
    113      -0.8679      0.00000
    114      -0.7996      0.00000
    115      -0.2617      0.00000
    116       0.2047      0.00000
    117       0.2398      0.00000
    118       0.3597      0.00000
    119       0.6862      0.00000
    120       0.8940      0.00000
    121       0.9235      0.00000
    122       1.0371      0.00000
    123       1.1625      0.00000
    124       1.5054      0.00000
    125       1.5507      0.00000
    126       1.7063      0.00000
    127       1.7781      0.00000
    128       1.8336      0.00000
    129       1.9628      0.00000
    130       1.9789      0.00000
    131       2.1885      0.00000
    132       2.2521      0.00000
    133       2.4066      0.00000
    134       2.4822      0.00000
    135       2.5401      0.00000
    136       2.5999      0.00000
    137       2.6189      0.00000
    138       2.6928      0.00000
    139       2.7553      0.00000
    140       2.8548      0.00000
    141       3.0295      0.00000
    142       3.0764      0.00000
    143       3.1892      0.00000
    144       3.2516      0.00000
    145       3.2672      0.00000
    146       3.2985      0.00000
    147       3.3538      0.00000
    148       3.4451      0.00000
    149       3.5119      0.00000
    150       3.6865      0.00000
    151       3.7163      0.00000
    152       3.7409      0.00000
    153       3.8260      0.00000
    154       3.8909      0.00000
    155       3.9270      0.00000
    156       3.9762      0.00000
    157       4.0061      0.00000
    158       4.0462      0.00000
    159       4.0551      0.00000
    160       4.0877      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3907      1.00000
      2     -21.8318      1.00000
      3     -21.6424      1.00000
      4     -21.6074      1.00000
      5     -21.2798      1.00000
      6     -21.2327      1.00000
      7     -21.0574      1.00000
      8     -20.1723      1.00000
      9     -20.1262      1.00000
     10     -19.6176      1.00000
     11     -19.5914      1.00000
     12     -19.4164      1.00000
     13     -19.0953      1.00000
     14     -19.0566      1.00000
     15     -19.0522      1.00000
     16     -19.0395      1.00000
     17     -18.3673      1.00000
     18     -18.3476      1.00000
     19     -18.0173      1.00000
     20     -17.0728      1.00000
     21     -17.0240      1.00000
     22     -16.9500      1.00000
     23     -16.9361      1.00000
     24     -16.4749      1.00000
     25     -16.4630      1.00000
     26     -15.6097      1.00000
     27     -15.6092      1.00000
     28     -15.2501      1.00000
     29     -15.2380      1.00000
     30     -15.1921      1.00000
     31     -15.1019      1.00000
     32     -15.0690      1.00000
     33     -14.6984      1.00000
     34     -14.6975      1.00000
     35     -13.7250      1.00000
     36     -13.7249      1.00000
     37     -13.2357      1.00000
     38     -12.6243      1.00000
     39     -12.5802      1.00000
     40     -12.4552      1.00000
     41     -12.4499      1.00000
     42     -12.1048      1.00000
     43     -12.0999      1.00000
     44     -11.7214      1.00000
     45     -11.6828      1.00000
     46     -11.2452      1.00000
     47     -11.2245      1.00000
     48     -11.0179      1.00000
     49     -11.0062      1.00000
     50     -10.9276      1.00000
     51     -10.8989      1.00000
     52     -10.6376      1.00000
     53     -10.1726      1.00000
     54     -10.1496      1.00000
     55     -10.0849      1.00000
     56      -9.9926      1.00000
     57      -9.6962      1.00000
     58      -9.6897      1.00000
     59      -9.6709      1.00000
     60      -9.5911      1.00000
     61      -9.5670      1.00000
     62      -9.5541      1.00000
     63      -9.3130      1.00000
     64      -9.3002      1.00000
     65      -9.2836      1.00000
     66      -9.2425      1.00000
     67      -9.1226      1.00000
     68      -9.1126      1.00000
     69      -9.1110      1.00000
     70      -8.9400      1.00000
     71      -8.8747      1.00000
     72      -8.6044      1.00000
     73      -8.5856      1.00000
     74      -8.2713      1.00000
     75      -8.1014      1.00000
     76      -7.8669      1.00000
     77      -7.8439      1.00000
     78      -7.7907      1.00000
     79      -7.7647      1.00000
     80      -7.7556      1.00000
     81      -7.4474      1.00000
     82      -7.3346      1.00000
     83      -7.3231      1.00000
     84      -7.2663      1.00000
     85      -7.1628      1.00000
     86      -7.0142      1.00000
     87      -6.9868      1.00000
     88      -6.7178      1.00000
     89      -6.6907      1.00000
     90      -6.6318      1.00000
     91      -6.5907      1.00000
     92      -6.1176      1.00000
     93      -6.0586      1.00000
     94      -6.0447      1.00000
     95      -6.0281      1.00000
     96      -5.7479      1.00000
     97      -4.9747      1.00000
     98      -4.8395      1.00000
     99      -4.7089      1.00000
    100      -4.6733      1.00000
    101      -4.4837      1.00000
    102      -4.3522      1.00000
    103      -4.1118      1.00000
    104      -4.0555      1.00000
    105      -3.7550      1.00000
    106      -3.4653      1.00000
    107      -1.9503      0.00000
    108      -1.7709      0.00000
    109      -1.4796      0.00000
    110      -1.3553      0.00000
    111      -1.3357      0.00000
    112      -1.2925      0.00000
    113      -0.6784      0.00000
    114      -0.4718      0.00000
    115      -0.2351      0.00000
    116       0.0515      0.00000
    117       0.5822      0.00000
    118       0.6927      0.00000
    119       0.7701      0.00000
    120       1.0222      0.00000
    121       1.0972      0.00000
    122       1.1751      0.00000
    123       1.2484      0.00000
    124       1.3312      0.00000
    125       1.4271      0.00000
    126       1.5894      0.00000
    127       1.7674      0.00000
    128       1.8401      0.00000
    129       1.8618      0.00000
    130       1.8852      0.00000
    131       2.0476      0.00000
    132       2.2120      0.00000
    133       2.2231      0.00000
    134       2.2772      0.00000
    135       2.4758      0.00000
    136       2.6109      0.00000
    137       2.6524      0.00000
    138       2.7408      0.00000
    139       2.7952      0.00000
    140       2.8361      0.00000
    141       2.8457      0.00000
    142       2.8865      0.00000
    143       2.9563      0.00000
    144       3.0726      0.00000
    145       3.3102      0.00000
    146       3.3572      0.00000
    147       3.4129      0.00000
    148       3.4234      0.00000
    149       3.4273      0.00000
    150       3.6007      0.00000
    151       3.6595      0.00000
    152       3.6735      0.00000
    153       3.7265      0.00000
    154       3.8921      0.00000
    155       3.9177      0.00000
    156       3.9549      0.00000
    157       4.1039      0.00000
    158       4.2012      0.00000
    159       4.2525      0.00000
    160       4.2797      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2107      1.00000
      2     -22.1200      1.00000
      3     -21.9576      1.00000
      4     -21.4055      1.00000
      5     -21.0470      1.00000
      6     -21.0187      1.00000
      7     -20.4968      1.00000
      8     -20.4669      1.00000
      9     -20.2870      1.00000
     10     -20.2851      1.00000
     11     -19.9573      1.00000
     12     -19.8942      1.00000
     13     -18.8838      1.00000
     14     -18.8163      1.00000
     15     -18.3383      1.00000
     16     -18.3193      1.00000
     17     -18.1495      1.00000
     18     -18.1421      1.00000
     19     -17.8163      1.00000
     20     -17.7983      1.00000
     21     -17.2583      1.00000
     22     -17.2388      1.00000
     23     -17.1605      1.00000
     24     -17.1357      1.00000
     25     -16.1173      1.00000
     26     -15.8808      1.00000
     27     -15.8698      1.00000
     28     -15.8406      1.00000
     29     -15.2310      1.00000
     30     -14.5509      1.00000
     31     -14.5325      1.00000
     32     -14.2757      1.00000
     33     -13.9753      1.00000
     34     -13.9517      1.00000
     35     -13.8250      1.00000
     36     -13.8027      1.00000
     37     -13.6040      1.00000
     38     -13.5788      1.00000
     39     -13.3709      1.00000
     40     -12.6394      1.00000
     41     -12.1687      1.00000
     42     -12.1424      1.00000
     43     -12.0681      1.00000
     44     -12.0213      1.00000
     45     -11.6652      1.00000
     46     -11.6605      1.00000
     47     -11.1364      1.00000
     48     -11.1253      1.00000
     49     -10.7900      1.00000
     50     -10.7339      1.00000
     51     -10.5360      1.00000
     52     -10.2086      1.00000
     53     -10.2024      1.00000
     54     -10.1710      1.00000
     55     -10.0230      1.00000
     56      -9.9947      1.00000
     57      -9.9904      1.00000
     58      -9.8052      1.00000
     59      -9.7962      1.00000
     60      -9.7645      1.00000
     61      -9.7565      1.00000
     62      -9.4539      1.00000
     63      -9.4178      1.00000
     64      -9.0849      1.00000
     65      -9.0460      1.00000
     66      -9.0259      1.00000
     67      -8.9692      1.00000
     68      -8.8980      1.00000
     69      -8.7083      1.00000
     70      -8.6990      1.00000
     71      -8.5594      1.00000
     72      -8.5487      1.00000
     73      -8.4780      1.00000
     74      -8.4594      1.00000
     75      -8.4568      1.00000
     76      -8.3086      1.00000
     77      -8.0954      1.00000
     78      -8.0895      1.00000
     79      -7.9266      1.00000
     80      -7.8322      1.00000
     81      -7.6011      1.00000
     82      -7.5363      1.00000
     83      -7.4440      1.00000
     84      -7.3145      1.00000
     85      -6.9939      1.00000
     86      -6.9191      1.00000
     87      -6.8822      1.00000
     88      -6.5270      1.00000
     89      -6.5147      1.00000
     90      -6.4804      1.00000
     91      -6.4206      1.00000
     92      -5.9272      1.00000
     93      -5.9053      1.00000
     94      -5.7888      1.00000
     95      -5.7749      1.00000
     96      -5.3693      1.00000
     97      -5.3631      1.00000
     98      -5.2203      1.00000
     99      -5.2153      1.00000
    100      -5.1988      1.00000
    101      -4.7203      1.00000
    102      -4.4425      1.00000
    103      -4.1909      1.00000
    104      -3.8204      1.00000
    105      -3.5653      1.00000
    106      -3.2214      1.00000
    107      -2.5623      0.00000
    108      -1.4629      0.00000
    109      -1.2672      0.00000
    110      -1.1849      0.00000
    111      -1.1834      0.00000
    112      -0.6446      0.00000
    113      -0.5512      0.00000
    114      -0.4145      0.00000
    115      -0.3471      0.00000
    116      -0.0775      0.00000
    117      -0.0632      0.00000
    118       0.1258      0.00000
    119       0.5934      0.00000
    120       0.6262      0.00000
    121       0.8504      0.00000
    122       0.9801      0.00000
    123       0.9996      0.00000
    124       1.4903      0.00000
    125       1.6787      0.00000
    126       1.7520      0.00000
    127       1.8516      0.00000
    128       2.1036      0.00000
    129       2.1617      0.00000
    130       2.1930      0.00000
    131       2.2103      0.00000
    132       2.2600      0.00000
    133       2.3604      0.00000
    134       2.4890      0.00000
    135       2.5222      0.00000
    136       2.6578      0.00000
    137       2.8527      0.00000
    138       2.8582      0.00000
    139       2.9487      0.00000
    140       3.0027      0.00000
    141       3.0342      0.00000
    142       3.1298      0.00000
    143       3.2073      0.00000
    144       3.2407      0.00000
    145       3.2497      0.00000
    146       3.2781      0.00000
    147       3.2998      0.00000
    148       3.3504      0.00000
    149       3.4117      0.00000
    150       3.5423      0.00000
    151       3.5602      0.00000
    152       3.6400      0.00000
    153       3.6593      0.00000
    154       3.7164      0.00000
    155       3.7366      0.00000
    156       3.8918      0.00000
    157       3.9591      0.00000
    158       4.0298      0.00000
    159       4.0652      0.00000
    160       4.1743      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2843      1.00000
      2     -22.0797      1.00000
      3     -21.7212      1.00000
      4     -21.6820      1.00000
      5     -20.9837      1.00000
      6     -20.9359      1.00000
      7     -20.6122      1.00000
      8     -20.5800      1.00000
      9     -20.5665      1.00000
     10     -20.0331      1.00000
     11     -19.5140      1.00000
     12     -19.4839      1.00000
     13     -19.3120      1.00000
     14     -19.2990      1.00000
     15     -18.4503      1.00000
     16     -18.4071      1.00000
     17     -17.9280      1.00000
     18     -17.9076      1.00000
     19     -17.7665      1.00000
     20     -17.7216      1.00000
     21     -17.4420      1.00000
     22     -17.4235      1.00000
     23     -17.3386      1.00000
     24     -16.4711      1.00000
     25     -16.4608      1.00000
     26     -15.9712      1.00000
     27     -15.4111      1.00000
     28     -15.4102      1.00000
     29     -15.0960      1.00000
     30     -15.0930      1.00000
     31     -14.8532      1.00000
     32     -14.8409      1.00000
     33     -14.2981      1.00000
     34     -14.2545      1.00000
     35     -13.4445      1.00000
     36     -13.4007      1.00000
     37     -13.1751      1.00000
     38     -13.1737      1.00000
     39     -12.9862      1.00000
     40     -12.9773      1.00000
     41     -12.6106      1.00000
     42     -12.6085      1.00000
     43     -12.1971      1.00000
     44     -11.5793      1.00000
     45     -11.5382      1.00000
     46     -11.3132      1.00000
     47     -11.2829      1.00000
     48     -11.1423      1.00000
     49     -10.6922      1.00000
     50     -10.6628      1.00000
     51     -10.5473      1.00000
     52     -10.3225      1.00000
     53     -10.3148      1.00000
     54     -10.1761      1.00000
     55     -10.1210      1.00000
     56     -10.1077      1.00000
     57      -9.8118      1.00000
     58      -9.7527      1.00000
     59      -9.7522      1.00000
     60      -9.7024      1.00000
     61      -9.6984      1.00000
     62      -9.6473      1.00000
     63      -9.3527      1.00000
     64      -9.3512      1.00000
     65      -9.3174      1.00000
     66      -9.0282      1.00000
     67      -8.9615      1.00000
     68      -8.9577      1.00000
     69      -8.7757      1.00000
     70      -8.5911      1.00000
     71      -8.5885      1.00000
     72      -8.4240      1.00000
     73      -8.3498      1.00000
     74      -8.3221      1.00000
     75      -8.3019      1.00000
     76      -8.2653      1.00000
     77      -8.2536      1.00000
     78      -8.2389      1.00000
     79      -7.9217      1.00000
     80      -7.7342      1.00000
     81      -7.3796      1.00000
     82      -7.3501      1.00000
     83      -7.3238      1.00000
     84      -7.2173      1.00000
     85      -7.1604      1.00000
     86      -7.0654      1.00000
     87      -6.9609      1.00000
     88      -6.9054      1.00000
     89      -6.6127      1.00000
     90      -6.5566      1.00000
     91      -6.2702      1.00000
     92      -5.9967      1.00000
     93      -5.9594      1.00000
     94      -5.6752      1.00000
     95      -5.6486      1.00000
     96      -5.3874      1.00000
     97      -5.3150      1.00000
     98      -5.2939      1.00000
     99      -5.2119      1.00000
    100      -5.2003      1.00000
    101      -4.5117      1.00000
    102      -4.3387      1.00000
    103      -3.9964      1.00000
    104      -3.8859      1.00000
    105      -3.7929      1.00000
    106      -3.4432      1.00000
    107      -2.0342      0.00000
    108      -1.8631      0.00000
    109      -1.2174      0.00000
    110      -1.1841      0.00000
    111      -1.0355      0.00000
    112      -0.7720      0.00000
    113      -0.6771      0.00000
    114      -0.6596      0.00000
    115      -0.6094      0.00000
    116      -0.1019      0.00000
    117       0.2228      0.00000
    118       0.2396      0.00000
    119       0.7642      0.00000
    120       0.9793      0.00000
    121       1.0731      0.00000
    122       1.2404      0.00000
    123       1.2502      0.00000
    124       1.3370      0.00000
    125       1.5752      0.00000
    126       1.5852      0.00000
    127       1.6926      0.00000
    128       1.7951      0.00000
    129       1.9386      0.00000
    130       1.9500      0.00000
    131       2.0984      0.00000
    132       2.3055      0.00000
    133       2.3427      0.00000
    134       2.4092      0.00000
    135       2.5346      0.00000
    136       2.6247      0.00000
    137       2.7818      0.00000
    138       2.8372      0.00000
    139       2.8427      0.00000
    140       2.8647      0.00000
    141       3.0448      0.00000
    142       3.0937      0.00000
    143       3.1427      0.00000
    144       3.2153      0.00000
    145       3.3710      0.00000
    146       3.4093      0.00000
    147       3.4985      0.00000
    148       3.5439      0.00000
    149       3.5884      0.00000
    150       3.6097      0.00000
    151       3.6411      0.00000
    152       3.7315      0.00000
    153       3.7383      0.00000
    154       3.7792      0.00000
    155       3.8313      0.00000
    156       3.8761      0.00000
    157       4.0169      0.00000
    158       4.0803      0.00000
    159       4.1618      0.00000
    160       4.2019      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0416   -7.3903    4.1983   -1.2759   -0.2386   17.5938    0.1472   -0.5324    0.6337   -0.4648
x    -3.0927   -0.0374   -0.0631    0.0616   -0.0091   -2.9773   -0.0109   -0.0070    0.0049    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0416    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0939   -0.0087    0.0374    0.0378
y    -0.0458   -3.2479   -0.5381   -0.1636   -1.1812   -0.6054
z   204.0416    1.1262   -0.2805    0.0408    0.0089    0.0616    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0777    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1659
z    -0.2831    0.1874   -0.0390    0.0470   -0.1050    0.0013
 total charge-density along one line
x   212.0000  -10.2204    6.1462   -2.0858   -0.4744   19.5109   -0.9960    0.4742   -0.0449   -0.1261
x    -2.6458   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2204    6.1462   -2.0858   -0.4744   19.5109   -0.9960    0.4742   -0.0449   -0.1261
y    -2.6458   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4923  189.2919 -170.3684  153.6530 -139.4412  125.4385 -110.1252   93.9783  -78.3640
z    64.1542  -51.5014   40.4358  -31.2302   24.1340  -18.9515   15.0379  -11.7243    8.7191   -6.1238
z     4.1333   -2.7613    1.8239   -1.1130    0.5414   -0.1283   -0.1101    0.2270   -0.3089    0.3999
z    -0.4767    0.4932   -0.4398    0.3546   -0.2860    0.2512   -0.2335    0.2088   -0.1709    0.1317
z    -0.1037    0.0880   -0.0768    0.0636   -0.0490    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0074    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.024   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.269   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.030   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.269   0.000  -0.311   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.585  -0.238   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.024   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.368  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.263   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.261   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.649
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.781   0.000   2.640
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.783   0.000   2.647
 28        0.864   1.785   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.785   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.646
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.860   1.781   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.649
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.870  89.435   8.029 142.334
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time   89.71: CPU time   45.20
    FORLOC:  VPU time    1.10: CPU time    1.09
    FORNL :  VPU time  361.53: CPU time  181.06
    STRESS:  VPU time 1087.33: CPU time  546.29
    FORCOR:  VPU time    7.42: CPU time    7.42
    FORHAR:  VPU time    1.98: CPU time    1.97
    MIXING:  VPU time    0.14: CPU time    0.14
 d Force =-0.2914799E-05[-0.406E-05,-0.176E-05]  d Energy = 0.8343668E-05-0.113E-04
 d Force =-0.2181519E+00[-0.218E+00,-0.218E+00]  d Ewald  = 0.1937611E+01-0.216E+01


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726413 eV

  energy  without entropy=     -471.726413  energy(sigma->0) =     -471.726413
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40851.22  40805.67 -47550.06    -39.45      0.00      0.00
  Hartree  40275.08  40255.99 -39533.83    -16.54      0.00      0.00
  E(xc)     -779.46   -779.76   -807.40     -0.25      0.00      0.00
  Local   -83410.27 -83354.65  84398.59     48.17      0.00      0.00
  n-local   -216.85   -215.73   -203.40      0.70      0.00      0.00
  augment     20.05     22.04     17.81      1.73      0.00      0.00
  Kinetic   3162.58   3176.32   3584.06      3.54      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.03      0.08     -0.30      0.04      0.00      0.00
  in kB        0.02      0.05     -0.18      0.03      0.00      0.00
  external pressure =       -0.04 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345074776  0.000650549  0.000000000     0.081001500  0.046760614  0.000000000
    -6.171980638 10.691469721  0.000000000    -0.000004929  0.093529665  0.000000000
     0.000000000  0.000000000 19.986678231     0.000000000  0.000000000  0.050033327

  length of vectors
    12.345074793 12.345074717 19.986678231     0.093529664  0.093529665  0.050033327


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.477E-05 -.490E-04 -.951E+03   0.448E-05 -.278E-04 0.960E+03   0.853E-21 -.169E-20 -.868E+01   0.118E-09 0.163E-08 -.829E-02
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   -.446E-03 0.257E-03 0.350E-03
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   0.446E-03 -.257E-03 0.350E-03
   -.206E+01 0.119E+01 0.163E+02   0.206E+01 -.119E+01 -.162E+02   -.337E-02 0.194E-02 -.242E-01   0.328E-03 -.193E-03 0.620E-04
   0.616E+01 0.685E+01 0.194E+02   -.616E+01 -.687E+01 -.193E+02   0.991E-03 0.212E-01 -.271E-01   -.548E-03 0.810E-03 -.193E-04
   0.112E+02 0.509E+01 0.162E+02   -.112E+02 -.510E+01 -.161E+02   0.203E-01 0.872E-02 -.479E-01   0.187E-04 -.325E-03 -.182E-03
   0.471E+01 -.883E+00 0.126E+02   -.473E+01 0.892E+00 -.126E+02   0.146E-01 -.726E-02 -.176E-01   -.215E-03 -.884E-05 -.360E-03
   -.308E+01 -.253E+01 0.126E+02   0.308E+01 0.253E+01 -.126E+02   -.181E-02 0.259E-02 -.130E-01   0.967E-04 -.123E-03 -.775E-04
   0.647E+00 0.393E+01 0.126E+02   -.648E+00 -.393E+01 -.126E+02   -.315E-02 0.274E-03 -.130E-01   0.149E-03 -.286E-04 -.808E-04
   0.242E+01 0.188E+02 0.240E+02   -.242E+01 -.189E+02 -.240E+02   -.237E-02 0.104E+00 -.487E-01   -.418E-03 -.916E-03 -.216E-03
   0.227E+02 0.214E+02 0.423E+02   -.227E+02 -.216E+02 -.422E+02   0.766E-01 0.262E+00 -.609E-01   0.116E-02 -.204E-03 -.468E-03
   0.268E+02 -.343E+01 0.256E+02   -.271E+02 0.354E+01 -.256E+02   0.269E+00 -.109E+00 -.339E-01   -.566E-03 0.138E-03 -.334E-03
   0.913E+01 -.527E+01 0.136E+02   -.918E+01 0.530E+01 -.136E+02   0.420E-01 -.243E-01 -.120E-01   -.508E-03 0.287E-03 0.109E-04
   0.312E+01 -.364E+01 0.126E+02   -.314E+01 0.365E+01 -.126E+02   0.136E-01 -.900E-02 -.176E-01   -.102E-03 0.187E-03 -.368E-03
   -.593E+01 0.136E+02 0.161E+02   0.592E+01 -.137E+02 -.161E+02   -.119E-02 0.714E-01 -.521E-01   0.929E-04 0.345E-03 -.264E-03
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.315E-01 0.613E+00 0.294E+00   -.324E-03 0.429E-03 -.704E-03
   0.236E+02 -.136E+02 0.940E+02   -.243E+02 0.140E+02 -.961E+02   0.636E+00 -.367E+00 0.205E+01   0.258E-04 -.176E-04 -.709E-03
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.229E+00 -.179E+00 -.339E-01   -.405E-03 0.414E-03 -.338E-03
   0.119E+01 -.122E+02 0.162E+02   -.120E+01 0.123E+02 -.161E+02   0.259E-02 -.219E-01 -.479E-01   0.294E-03 0.145E-03 -.187E-03
   -.414E+01 0.192E+01 0.116E+02   0.414E+01 -.193E+01 -.116E+02   -.307E-03 0.991E-02 -.439E-01   0.274E-03 -.597E-04 -.149E-03
   -.193E+02 0.111E+02 0.217E+02   0.193E+02 -.112E+02 -.217E+02   -.502E-01 0.290E-01 -.433E-01   -.267E-03 0.158E-03 -.481E-04
   -.373E+02 -.785E+01 0.478E+02   0.378E+02 0.813E+01 -.481E+02   -.546E+00 -.279E+00 0.294E+00   -.531E-03 0.653E-04 -.701E-03
   -.717E+01 -.303E+02 0.423E+02   0.736E+01 0.305E+02 -.422E+02   -.189E+00 -.198E+00 -.609E-01   0.761E-03 -.909E-03 -.470E-03
   -.285E+01 -.876E+01 0.194E+02   0.287E+01 0.877E+01 -.193E+02   -.179E-01 -.115E-01 -.271E-01   -.974E-03 0.680E-04 -.200E-04
   0.139E+01 -.802E+00 0.134E+02   -.139E+01 0.805E+00 -.134E+02   -.184E-03 0.106E-03 -.179E-01   0.261E-03 -.149E-03 0.214E-04
   -.373E+01 0.262E+01 0.116E+02   0.374E+01 -.262E+01 -.116E+02   -.873E-02 -.469E-02 -.439E-01   0.191E-03 -.203E-03 -.145E-03
   -.148E+02 -.169E+01 0.161E+02   0.148E+02 0.173E+01 -.161E+02   -.625E-01 -.347E-01 -.521E-01   -.250E-03 -.254E-03 -.258E-03
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.909E-01 -.498E-01 -.487E-01   0.586E-03 0.815E-03 -.213E-03
   0.285E+01 0.876E+01 0.194E+02   -.287E+01 -.877E+01 -.193E+02   0.179E-01 0.115E-01 -.271E-01   0.974E-03 -.680E-04 -.200E-04
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.909E-01 0.498E-01 -.487E-01   -.586E-03 -.815E-03 -.213E-03
   0.148E+02 0.169E+01 0.161E+02   -.148E+02 -.173E+01 -.161E+02   0.625E-01 0.347E-01 -.521E-01   0.250E-03 0.254E-03 -.258E-03
   0.373E+01 -.262E+01 0.116E+02   -.374E+01 0.262E+01 -.116E+02   0.873E-02 0.469E-02 -.439E-01   -.191E-03 0.203E-03 -.145E-03
   -.139E+01 0.802E+00 0.134E+02   0.139E+01 -.805E+00 -.134E+02   0.184E-03 -.106E-03 -.179E-01   -.261E-03 0.148E-03 0.214E-04
   -.119E+01 0.122E+02 0.162E+02   0.119E+01 -.123E+02 -.161E+02   -.259E-02 0.219E-01 -.479E-01   -.294E-03 -.145E-03 -.187E-03
   0.717E+01 0.303E+02 0.423E+02   -.736E+01 -.305E+02 -.422E+02   0.189E+00 0.198E+00 -.609E-01   -.761E-03 0.909E-03 -.470E-03
   0.373E+02 0.785E+01 0.478E+02   -.378E+02 -.813E+01 -.481E+02   0.546E+00 0.279E+00 0.294E+00   0.531E-03 -.653E-04 -.701E-03
   0.193E+02 -.111E+02 0.217E+02   -.193E+02 0.112E+02 -.217E+02   0.502E-01 -.290E-01 -.433E-01   0.267E-03 -.158E-03 -.481E-04
   0.414E+01 -.192E+01 0.116E+02   -.414E+01 0.193E+01 -.116E+02   0.307E-03 -.991E-02 -.439E-01   -.274E-03 0.597E-04 -.149E-03
   -.312E+01 0.364E+01 0.126E+02   0.314E+01 -.365E+01 -.126E+02   -.136E-01 0.900E-02 -.176E-01   0.102E-03 -.187E-03 -.368E-03
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.229E+00 0.179E+00 -.339E-01   0.405E-03 -.414E-03 -.338E-03
   -.236E+02 0.136E+02 0.940E+02   0.243E+02 -.140E+02 -.961E+02   -.636E+00 0.367E+00 0.205E+01   -.258E-04 0.176E-04 -.709E-03
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.315E-01 -.613E+00 0.294E+00   0.324E-03 -.429E-03 -.704E-03
   0.593E+01 -.136E+02 0.161E+02   -.592E+01 0.137E+02 -.161E+02   0.119E-02 -.714E-01 -.521E-01   -.929E-04 -.345E-03 -.264E-03
   -.647E+00 -.393E+01 0.126E+02   0.648E+00 0.393E+01 -.126E+02   0.315E-02 -.274E-03 -.130E-01   -.149E-03 0.286E-04 -.808E-04
   -.913E+01 0.527E+01 0.136E+02   0.918E+01 -.530E+01 -.136E+02   -.420E-01 0.243E-01 -.120E-01   0.508E-03 -.287E-03 0.109E-04
   -.268E+02 0.343E+01 0.256E+02   0.271E+02 -.354E+01 -.256E+02   -.269E+00 0.109E+00 -.339E-01   0.566E-03 -.138E-03 -.334E-03
   -.227E+02 -.214E+02 0.423E+02   0.227E+02 0.216E+02 -.422E+02   -.766E-01 -.262E+00 -.609E-01   -.116E-02 0.204E-03 -.468E-03
   -.242E+01 -.188E+02 0.240E+02   0.242E+01 0.189E+02 -.240E+02   0.237E-02 -.104E+00 -.487E-01   0.418E-03 0.916E-03 -.216E-03
   0.206E+01 -.119E+01 0.163E+02   -.206E+01 0.119E+01 -.162E+02   0.337E-02 -.194E-02 -.242E-01   -.328E-03 0.193E-03 0.620E-04
   0.308E+01 0.253E+01 0.126E+02   -.308E+01 -.253E+01 -.126E+02   0.181E-02 -.259E-02 -.130E-01   -.967E-04 0.123E-03 -.775E-04
   -.471E+01 0.883E+00 0.126E+02   0.473E+01 -.892E+00 -.126E+02   -.146E-01 0.726E-02 -.176E-01   0.215E-03 0.884E-05 -.360E-03
   -.112E+02 -.509E+01 0.162E+02   0.112E+02 0.510E+01 -.161E+02   -.203E-01 -.872E-02 -.479E-01   -.187E-04 0.325E-03 -.182E-03
   -.616E+01 -.685E+01 0.194E+02   0.616E+01 0.687E+01 -.193E+02   -.991E-03 -.212E-01 -.271E-01   0.548E-03 -.810E-03 -.193E-04
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.289E-03 0.101E+02   -.195E-12 -.515E-13 -.252E-12   0.155E-15 0.416E-16 -.100E+02   0.135E-07 -.914E-08 -.200E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85208      6.05878     12.26498         0.000000      0.000000      0.024161
      1.07495      6.50746     13.52447         0.001527     -0.000882      0.008727
      2.62920      5.61011     13.52447        -0.001527      0.000882      0.008727
      0.00016     -0.00009      9.91097        -0.002614      0.001509      0.000139
     -1.23474      2.13682      9.90962        -0.000150      0.001137      0.000045
     -2.46993      4.27631      9.92960        -0.002839      0.002754     -0.000432
     -3.70363      6.41496      9.93730        -0.002228      0.001651     -0.001005
     -4.93734      8.55315      9.92788        -0.004860      0.002209     -0.000514
      2.46916     -0.00007      9.92788        -0.004343      0.003104     -0.000514
      1.23391      2.13659      9.91915        -0.003551      0.002207     -0.001333
     -0.00264      4.27066      9.93165        -0.004761      0.004200     -0.002654
     -1.23834      6.41557      9.95375         0.000095      0.001480     -0.001220
     -2.46891      8.55351      9.93919        -0.001246      0.000719      0.000685
      4.93774      0.00060      9.93730        -0.002544      0.001104     -0.001005
      3.70407      2.13667      9.94061        -0.001784     -0.000761     -0.001399
      2.46983      4.26837      9.96819        -0.003790      0.001042     -0.002653
      1.22907      6.41847      9.97443        -0.004994      0.002883      0.001534
     -0.00212      8.55677      9.95375        -0.001234     -0.000822     -0.001220
      7.40672      0.00152      9.92960        -0.003804      0.001082     -0.000432
      6.17240      2.13873      9.93593        -0.003297      0.001850     -0.000577
      4.93886      4.27663      9.94867         0.001017     -0.000587     -0.000014
      3.71150      6.41900      9.96819        -0.002797      0.002761     -0.002653
      2.47328      8.55907      9.93165        -0.006018      0.002023     -0.002654
      9.87716      0.00156      9.90962        -0.001060     -0.000439      0.000045
      8.64156      2.13887      9.92081        -0.003768      0.002175      0.000334
      7.40711      4.27730      9.93593        -0.003250      0.001931     -0.000577
      6.17473      6.41597      9.94061        -0.000233      0.001926     -0.001399
      4.93971      8.55523      9.91915        -0.003687      0.001972     -0.001333
     -0.00103      1.42454      9.90962         0.001060      0.000439      0.000045
     -1.23556      3.56234      9.91915         0.003687     -0.001972     -0.001333
     -2.47057      5.70160      9.94061         0.000233     -0.001926     -0.001399
     -3.70296      7.84026      9.93593         0.003250     -0.001931     -0.000577
     -4.93741      9.97869      9.92081         0.003768     -0.002175      0.000334
      2.46942      1.42457      9.92960         0.003804     -0.001082     -0.000432
      1.23088      3.55849      9.93165         0.006018     -0.002023     -0.002654
     -0.00734      5.69856      9.96819         0.002797     -0.002761     -0.002653
     -1.23471      7.84094      9.94867        -0.001017      0.000587     -0.000014
     -2.46825      9.97884      9.93593         0.003297     -0.001850     -0.000577
      4.93839      1.42549      9.93730         0.002544     -0.001104     -0.001005
      3.70627      3.56080      9.95375         0.001234      0.000822     -0.001220
      2.47508      5.69909      9.97443         0.004994     -0.002883      0.001534
      1.23433      7.84919      9.96819         0.003790     -0.001042     -0.002653
      0.00008      9.98090      9.94061         0.001784      0.000761     -0.001399
      7.40697      1.42616      9.92788         0.004343     -0.003104     -0.000514
      6.17307      3.56406      9.93919         0.001246     -0.000719      0.000685
      4.94249      5.70199      9.95375        -0.000095     -0.001480     -0.001220
      3.70679      7.84690      9.93165         0.004761     -0.004200     -0.002654
      2.47024      9.98097      9.91915         0.003551     -0.002207     -0.001333
      9.87598      1.42618      9.91097         0.002614     -0.001509      0.000139
      8.64149      3.56441      9.92788         0.004860     -0.002209     -0.000514
      7.40778      5.70260      9.93730         0.002228     -0.001651     -0.001005
      6.17409      7.84126      9.92960         0.002839     -0.002754     -0.000432
      4.93889      9.98074      9.90962         0.000150     -0.001137      0.000045
 -----------------------------------------------------------------------------------
    total drift:                               -0.001801      0.000289      0.015742


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.68: CPU time    1.68
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.18: CPU time    1.18
    ORTHCH:  VPU time  150.48: CPU time   83.86
     LOOP+:  VPU time 4163.16: CPU time 2133.18


----------------------------------------- Iteration   26(   1)  ---------------------------------------


    POTLOK:  VPU time    7.82: CPU time    7.72
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1117.75: CPU time  575.44
 BZINTS: Fermi energy: -3.186879;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   89.67: CPU time   45.17
    MIXING:  VPU time    0.12: CPU time    0.13
    ------------------------------------------
      LOOP:  VPU time 1215.70: CPU time  628.77

 eigenvalue-minimisations  :  4112
 total energy-change (2. order) :-0.4717264E+03  (-0.3152371E-05)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583365 magnetization    0.0000002

 Broyden mixing:
  rms(total) = 0.23598E-03    rms(broyden)= 0.23593E-03
  rms(prec ) = 0.26297E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34106.28755028
  -1/2 Hartree   DENC   =    -40996.81928789
  -V(xc)+E(xc)   XCENC  =       726.60812857
  PAW double counting   =      4094.33733538    -4132.68483907
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.89515618
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641532 eV

  energy without entropy =     -471.72641532  energy(sigma->0) =     -471.72641532


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   26(   2)  ---------------------------------------


    POTLOK:  VPU time    7.75: CPU time    7.74
    SETDIJ:  VPU time    0.28: CPU time    0.29
    EDDAV :  VPU time 1122.72: CPU time  572.50
 BZINTS: Fermi energy: -3.186543;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1130.81: CPU time  580.56

 eigenvalue-minimisations  :  4120
 total energy-change (2. order) :-0.1601602E-06  (-0.4409330E-06)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583365 magnetization    0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34106.28755028
  -1/2 Hartree   DENC   =    -40996.79503405
  -V(xc)+E(xc)   XCENC  =       726.60732056
  PAW double counting   =      4094.31599388    -4132.66356894
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.91853080
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641548 eV

  energy without entropy =     -471.72641548  energy(sigma->0) =     -471.72641548


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2179       2 -39.5363       3 -39.5364       4 -58.3137       5 -58.3176
       6 -58.3201       7 -58.3147       8 -58.3150       9 -58.3150      10 -58.3215
      11 -58.3876      12 -58.3516      13 -58.3230      14 -58.3147      15 -58.3245
      16 -58.5426      17 -58.7296      18 -58.3516      19 -58.3201      20 -58.3198
      21 -58.3577      22 -58.5426      23 -58.3876      24 -58.3177      25 -58.3229
      26 -58.3198      27 -58.3245      28 -58.3215      29 -58.3175      30 -58.3214
      31 -58.3244      32 -58.3197      33 -58.3228      34 -58.3200      35 -58.3875
      36 -58.5425      37 -58.3576      38 -58.3197      39 -58.3146      40 -58.3514
      41 -58.7295      42 -58.5425      43 -58.3244      44 -58.3149      45 -58.3229
      46 -58.3515      47 -58.3876      48 -58.3214      49 -58.3136      50 -58.3149
      51 -58.3146      52 -58.3201      53 -58.3175
 
 
 
 E-fermi :  -3.1865     XC(G=0):  -2.3446     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4275      1.00000
      2     -21.6043      1.00000
      3     -21.4826      1.00000
      4     -21.4735      1.00000
      5     -21.4419      1.00000
      6     -21.4411      1.00000
      7     -21.4310      1.00000
      8     -19.7084      1.00000
      9     -19.6535      1.00000
     10     -19.6302      1.00000
     11     -19.6191      1.00000
     12     -19.6139      1.00000
     13     -19.6129      1.00000
     14     -18.7905      1.00000
     15     -18.7554      1.00000
     16     -18.7356      1.00000
     17     -18.7260      1.00000
     18     -18.7189      1.00000
     19     -18.7136      1.00000
     20     -16.6353      1.00000
     21     -16.6094      1.00000
     22     -16.5851      1.00000
     23     -16.5816      1.00000
     24     -16.5547      1.00000
     25     -16.5529      1.00000
     26     -15.6153      1.00000
     27     -15.6025      1.00000
     28     -15.5993      1.00000
     29     -15.5652      1.00000
     30     -15.5634      1.00000
     31     -15.5626      1.00000
     32     -14.2602      1.00000
     33     -14.2509      1.00000
     34     -14.2409      1.00000
     35     -14.2359      1.00000
     36     -14.2228      1.00000
     37     -14.2199      1.00000
     38     -11.9059      1.00000
     39     -11.8789      1.00000
     40     -11.8677      1.00000
     41     -11.8657      1.00000
     42     -11.8449      1.00000
     43     -11.8448      1.00000
     44     -11.7715      1.00000
     45     -11.7687      1.00000
     46     -11.7361      1.00000
     47     -11.7294      1.00000
     48     -11.7251      1.00000
     49     -11.7227      1.00000
     50     -10.6766      1.00000
     51     -10.3889      1.00000
     52     -10.3838      1.00000
     53     -10.3769      1.00000
     54     -10.3692      1.00000
     55     -10.3558      1.00000
     56     -10.3537      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4060      1.00000
     60      -9.3629      1.00000
     61      -9.3623      1.00000
     62      -9.3545      1.00000
     63      -9.1424      1.00000
     64      -9.1217      1.00000
     65      -9.1211      1.00000
     66      -9.0847      1.00000
     67      -9.0718      1.00000
     68      -9.0712      1.00000
     69      -9.0711      1.00000
     70      -9.0640      1.00000
     71      -9.0640      1.00000
     72      -9.0384      1.00000
     73      -9.0288      1.00000
     74      -9.0256      1.00000
     75      -8.1302      1.00000
     76      -7.7457      1.00000
     77      -7.4686      1.00000
     78      -7.4665      1.00000
     79      -7.4537      1.00000
     80      -7.4340      1.00000
     81      -7.4246      1.00000
     82      -7.4065      1.00000
     83      -7.3130      1.00000
     84      -7.2712      1.00000
     85      -7.2575      1.00000
     86      -7.2490      1.00000
     87      -7.1508      1.00000
     88      -7.0494      1.00000
     89      -6.4463      1.00000
     90      -6.4161      1.00000
     91      -6.4004      1.00000
     92      -6.3637      1.00000
     93      -6.3530      1.00000
     94      -6.3407      1.00000
     95      -5.9584      1.00000
     96      -5.9579      1.00000
     97      -4.8064      1.00000
     98      -4.5443      1.00000
     99      -4.4814      1.00000
    100      -4.4743      1.00000
    101      -4.3822      1.00000
    102      -4.3816      1.00000
    103      -4.2678      1.00000
    104      -4.1872      1.00000
    105      -3.7392      1.00000
    106      -3.4775      1.00000
    107      -1.8617      0.00000
    108      -1.6705      0.00000
    109      -1.6240      0.00000
    110      -1.5912      0.00000
    111      -1.5757      0.00000
    112      -1.5748      0.00000
    113      -0.4288      0.00000
    114       0.1458      0.00000
    115       0.1922      0.00000
    116       0.2558      0.00000
    117       0.2676      0.00000
    118       0.2715      0.00000
    119       0.4770      0.00000
    120       0.5445      0.00000
    121       1.2442      0.00000
    122       1.2894      0.00000
    123       1.5297      0.00000
    124       1.7683      0.00000
    125       1.7712      0.00000
    126       1.7714      0.00000
    127       1.8085      0.00000
    128       1.8287      0.00000
    129       1.9589      0.00000
    130       1.9678      0.00000
    131       1.9746      0.00000
    132       1.9894      0.00000
    133       1.9966      0.00000
    134       2.0753      0.00000
    135       2.2440      0.00000
    136       2.3466      0.00000
    137       2.6006      0.00000
    138       2.6029      0.00000
    139       2.6279      0.00000
    140       2.7029      0.00000
    141       2.9317      0.00000
    142       3.0531      0.00000
    143       3.0729      0.00000
    144       3.1031      0.00000
    145       3.1086      0.00000
    146       3.1137      0.00000
    147       3.1170      0.00000
    148       3.2707      0.00000
    149       3.4520      0.00000
    150       3.5021      0.00000
    151       3.8240      0.00000
    152       3.9487      0.00000
    153       3.9536      0.00000
    154       3.9572      0.00000
    155       3.9576      0.00000
    156       3.9944      0.00000
    157       4.1856      0.00000
    158       4.2608      0.00000
    159       4.2751      0.00000
    160       4.2823      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3908      1.00000
      2     -21.8317      1.00000
      3     -21.6394      1.00000
      4     -21.6115      1.00000
      5     -21.2758      1.00000
      6     -21.2364      1.00000
      7     -21.0580      1.00000
      8     -20.1687      1.00000
      9     -20.1304      1.00000
     10     -19.6095      1.00000
     11     -19.5985      1.00000
     12     -19.4180      1.00000
     13     -19.0905      1.00000
     14     -19.0608      1.00000
     15     -19.0497      1.00000
     16     -19.0423      1.00000
     17     -18.3614      1.00000
     18     -18.3530      1.00000
     19     -18.0197      1.00000
     20     -17.0697      1.00000
     21     -17.0309      1.00000
     22     -16.9443      1.00000
     23     -16.9405      1.00000
     24     -16.4684      1.00000
     25     -16.4637      1.00000
     26     -15.6148      1.00000
     27     -15.6080      1.00000
     28     -15.2532      1.00000
     29     -15.2440      1.00000
     30     -15.1852      1.00000
     31     -15.0984      1.00000
     32     -15.0715      1.00000
     33     -14.6991      1.00000
     34     -14.6971      1.00000
     35     -13.7269      1.00000
     36     -13.7244      1.00000
     37     -13.2360      1.00000
     38     -12.6144      1.00000
     39     -12.5842      1.00000
     40     -12.4547      1.00000
     41     -12.4511      1.00000
     42     -12.1095      1.00000
     43     -12.1049      1.00000
     44     -11.7178      1.00000
     45     -11.6869      1.00000
     46     -11.2353      1.00000
     47     -11.2260      1.00000
     48     -11.0180      1.00000
     49     -11.0101      1.00000
     50     -10.9271      1.00000
     51     -10.9056      1.00000
     52     -10.6316      1.00000
     53     -10.1552      1.00000
     54     -10.1511      1.00000
     55     -10.0919      1.00000
     56      -9.9990      1.00000
     57      -9.7032      1.00000
     58      -9.6951      1.00000
     59      -9.6565      1.00000
     60      -9.5921      1.00000
     61      -9.5770      1.00000
     62      -9.5589      1.00000
     63      -9.3072      1.00000
     64      -9.3034      1.00000
     65      -9.2746      1.00000
     66      -9.2369      1.00000
     67      -9.1372      1.00000
     68      -9.1151      1.00000
     69      -9.1115      1.00000
     70      -8.9402      1.00000
     71      -8.8724      1.00000
     72      -8.6045      1.00000
     73      -8.5909      1.00000
     74      -8.2367      1.00000
     75      -8.1004      1.00000
     76      -7.9135      1.00000
     77      -7.8639      1.00000
     78      -7.7716      1.00000
     79      -7.7569      1.00000
     80      -7.6923      1.00000
     81      -7.5606      1.00000
     82      -7.3387      1.00000
     83      -7.3227      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0124      1.00000
     88      -6.7046      1.00000
     89      -6.6783      1.00000
     90      -6.6413      1.00000
     91      -6.5978      1.00000
     92      -6.1157      1.00000
     93      -6.0623      1.00000
     94      -6.0312      1.00000
     95      -6.0115      1.00000
     96      -5.7834      1.00000
     97      -4.9744      1.00000
     98      -4.8321      1.00000
     99      -4.7470      1.00000
    100      -4.6794      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1718      1.00000
    104      -4.1279      1.00000
    105      -3.7296      1.00000
    106      -3.4877      1.00000
    107      -1.8702      0.00000
    108      -1.8088      0.00000
    109      -1.5242      0.00000
    110      -1.3775      0.00000
    111      -1.3213      0.00000
    112      -1.2879      0.00000
    113      -0.7198      0.00000
    114      -0.3759      0.00000
    115      -0.2498      0.00000
    116       0.0369      0.00000
    117       0.5532      0.00000
    118       0.6980      0.00000
    119       0.7462      0.00000
    120       1.0476      0.00000
    121       1.1001      0.00000
    122       1.1483      0.00000
    123       1.2269      0.00000
    124       1.3748      0.00000
    125       1.5203      0.00000
    126       1.5763      0.00000
    127       1.7133      0.00000
    128       1.8182      0.00000
    129       1.8587      0.00000
    130       1.8813      0.00000
    131       2.0954      0.00000
    132       2.1817      0.00000
    133       2.2388      0.00000
    134       2.3016      0.00000
    135       2.5081      0.00000
    136       2.5817      0.00000
    137       2.6483      0.00000
    138       2.7759      0.00000
    139       2.7943      0.00000
    140       2.8263      0.00000
    141       2.8691      0.00000
    142       2.8964      0.00000
    143       2.9490      0.00000
    144       3.0722      0.00000
    145       3.1479      0.00000
    146       3.3152      0.00000
    147       3.3928      0.00000
    148       3.4384      0.00000
    149       3.4630      0.00000
    150       3.6137      0.00000
    151       3.6459      0.00000
    152       3.6692      0.00000
    153       3.7114      0.00000
    154       3.9043      0.00000
    155       3.9583      0.00000
    156       4.0128      0.00000
    157       4.0666      0.00000
    158       4.2313      0.00000
    159       4.2466      0.00000
    160       4.2737      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2848      1.00000
      2     -22.0792      1.00000
      3     -21.7178      1.00000
      4     -21.6860      1.00000
      5     -20.9805      1.00000
      6     -20.9399      1.00000
      7     -20.6129      1.00000
      8     -20.5762      1.00000
      9     -20.5699      1.00000
     10     -20.0336      1.00000
     11     -19.5043      1.00000
     12     -19.4926      1.00000
     13     -19.3077      1.00000
     14     -19.3025      1.00000
     15     -18.4484      1.00000
     16     -18.4117      1.00000
     17     -17.9229      1.00000
     18     -17.9136      1.00000
     19     -17.7622      1.00000
     20     -17.7265      1.00000
     21     -17.4364      1.00000
     22     -17.4291      1.00000
     23     -17.3414      1.00000
     24     -16.4634      1.00000
     25     -16.4622      1.00000
     26     -15.9676      1.00000
     27     -15.4150      1.00000
     28     -15.4095      1.00000
     29     -15.0972      1.00000
     30     -15.0937      1.00000
     31     -14.8554      1.00000
     32     -14.8477      1.00000
     33     -14.2906      1.00000
     34     -14.2578      1.00000
     35     -13.4369      1.00000
     36     -13.4044      1.00000
     37     -13.1778      1.00000
     38     -13.1745      1.00000
     39     -12.9825      1.00000
     40     -12.9776      1.00000
     41     -12.6133      1.00000
     42     -12.6102      1.00000
     43     -12.1979      1.00000
     44     -11.5770      1.00000
     45     -11.5433      1.00000
     46     -11.3111      1.00000
     47     -11.2883      1.00000
     48     -11.1421      1.00000
     49     -10.6766      1.00000
     50     -10.6605      1.00000
     51     -10.5536      1.00000
     52     -10.3235      1.00000
     53     -10.3180      1.00000
     54     -10.1699      1.00000
     55     -10.1155      1.00000
     56     -10.1128      1.00000
     57      -9.7987      1.00000
     58      -9.7649      1.00000
     59      -9.7523      1.00000
     60      -9.7003      1.00000
     61      -9.6970      1.00000
     62      -9.6626      1.00000
     63      -9.3544      1.00000
     64      -9.3517      1.00000
     65      -9.3157      1.00000
     66      -9.0414      1.00000
     67      -8.9621      1.00000
     68      -8.9498      1.00000
     69      -8.7999      1.00000
     70      -8.5951      1.00000
     71      -8.5580      1.00000
     72      -8.3988      1.00000
     73      -8.3652      1.00000
     74      -8.3246      1.00000
     75      -8.3071      1.00000
     76      -8.2589      1.00000
     77      -8.2572      1.00000
     78      -8.2364      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3864      1.00000
     83      -7.3493      1.00000
     84      -7.2307      1.00000
     85      -7.0967      1.00000
     86      -7.0390      1.00000
     87      -6.9341      1.00000
     88      -6.8483      1.00000
     89      -6.6126      1.00000
     90      -6.5585      1.00000
     91      -6.2697      1.00000
     92      -6.0439      1.00000
     93      -5.9517      1.00000
     94      -5.6628      1.00000
     95      -5.6227      1.00000
     96      -5.4632      1.00000
     97      -5.3200      1.00000
     98      -5.2789      1.00000
     99      -5.2139      1.00000
    100      -5.1939      1.00000
    101      -4.5085      1.00000
    102      -4.2076      1.00000
    103      -4.0592      1.00000
    104      -3.9891      1.00000
    105      -3.6943      1.00000
    106      -3.4979      1.00000
    107      -1.9461      0.00000
    108      -1.8962      0.00000
    109      -1.3389      0.00000
    110      -1.0847      0.00000
    111      -1.0581      0.00000
    112      -0.8002      0.00000
    113      -0.6775      0.00000
    114      -0.6467      0.00000
    115      -0.6071      0.00000
    116      -0.1080      0.00000
    117       0.2157      0.00000
    118       0.3291      0.00000
    119       0.6915      0.00000
    120       0.8853      0.00000
    121       1.1266      0.00000
    122       1.1990      0.00000
    123       1.3237      0.00000
    124       1.4172      0.00000
    125       1.5530      0.00000
    126       1.5757      0.00000
    127       1.6740      0.00000
    128       1.8066      0.00000
    129       1.8782      0.00000
    130       2.0507      0.00000
    131       2.1315      0.00000
    132       2.3316      0.00000
    133       2.3635      0.00000
    134       2.3905      0.00000
    135       2.5390      0.00000
    136       2.6280      0.00000
    137       2.7257      0.00000
    138       2.7679      0.00000
    139       2.8347      0.00000
    140       2.8776      0.00000
    141       3.0437      0.00000
    142       3.0525      0.00000
    143       3.1567      0.00000
    144       3.2599      0.00000
    145       3.3576      0.00000
    146       3.4119      0.00000
    147       3.4278      0.00000
    148       3.5639      0.00000
    149       3.5798      0.00000
    150       3.5946      0.00000
    151       3.6582      0.00000
    152       3.6715      0.00000
    153       3.7781      0.00000
    154       3.7990      0.00000
    155       3.8164      0.00000
    156       3.8943      0.00000
    157       3.9160      0.00000
    158       3.9935      0.00000
    159       4.2087      0.00000
    160       4.2249      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3188      1.00000
      2     -21.9641      1.00000
      3     -21.8949      1.00000
      4     -21.3821      1.00000
      5     -21.3529      1.00000
      6     -20.8408      1.00000
      7     -20.7755      1.00000
      8     -20.6252      1.00000
      9     -20.0787      1.00000
     10     -20.0730      1.00000
     11     -19.7177      1.00000
     12     -19.6933      1.00000
     13     -18.9974      1.00000
     14     -18.9915      1.00000
     15     -18.6415      1.00000
     16     -18.6256      1.00000
     17     -18.4629      1.00000
     18     -17.6759      1.00000
     19     -17.6255      1.00000
     20     -17.6227      1.00000
     21     -17.5808      1.00000
     22     -17.1272      1.00000
     23     -17.1057      1.00000
     24     -16.9626      1.00000
     25     -16.0022      1.00000
     26     -15.9304      1.00000
     27     -15.5864      1.00000
     28     -15.5860      1.00000
     29     -15.2875      1.00000
     30     -14.8646      1.00000
     31     -14.8374      1.00000
     32     -14.5793      1.00000
     33     -14.5374      1.00000
     34     -14.1693      1.00000
     35     -14.1557      1.00000
     36     -13.1483      1.00000
     37     -13.1011      1.00000
     38     -13.0300      1.00000
     39     -13.0198      1.00000
     40     -12.7093      1.00000
     41     -12.7052      1.00000
     42     -12.3421      1.00000
     43     -12.3109      1.00000
     44     -11.6364      1.00000
     45     -11.6228      1.00000
     46     -11.5726      1.00000
     47     -10.9500      1.00000
     48     -10.9169      1.00000
     49     -10.6328      1.00000
     50     -10.6246      1.00000
     51     -10.5478      1.00000
     52     -10.5001      1.00000
     53     -10.4998      1.00000
     54     -10.4397      1.00000
     55     -10.3605      1.00000
     56     -10.1000      1.00000
     57      -9.9042      1.00000
     58      -9.6085      1.00000
     59      -9.5563      1.00000
     60      -9.4529      1.00000
     61      -9.4125      1.00000
     62      -9.4055      1.00000
     63      -9.3774      1.00000
     64      -9.3770      1.00000
     65      -9.2879      1.00000
     66      -9.1690      1.00000
     67      -9.1434      1.00000
     68      -9.1151      1.00000
     69      -8.8651      1.00000
     70      -8.8575      1.00000
     71      -8.8157      1.00000
     72      -8.5974      1.00000
     73      -8.4805      1.00000
     74      -8.1990      1.00000
     75      -8.1635      1.00000
     76      -8.0093      1.00000
     77      -7.9639      1.00000
     78      -7.8504      1.00000
     79      -7.8404      1.00000
     80      -7.7042      1.00000
     81      -7.6968      1.00000
     82      -7.6224      1.00000
     83      -7.4490      1.00000
     84      -7.3009      1.00000
     85      -7.2532      1.00000
     86      -6.9064      1.00000
     87      -6.8926      1.00000
     88      -6.5889      1.00000
     89      -6.5514      1.00000
     90      -6.4060      1.00000
     91      -6.2536      1.00000
     92      -6.2329      1.00000
     93      -6.2055      1.00000
     94      -6.0232      1.00000
     95      -5.5501      1.00000
     96      -5.4890      1.00000
     97      -5.3504      1.00000
     98      -5.2197      1.00000
     99      -4.9794      1.00000
    100      -4.7326      1.00000
    101      -4.6780      1.00000
    102      -4.3875      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5463      1.00000
    106      -3.5099      1.00000
    107      -2.2562      0.00000
    108      -1.4564      0.00000
    109      -1.3712      0.00000
    110      -1.2417      0.00000
    111      -1.0978      0.00000
    112      -0.9449      0.00000
    113      -0.8635      0.00000
    114      -0.8031      0.00000
    115      -0.1393      0.00000
    116       0.1111      0.00000
    117       0.2408      0.00000
    118       0.3777      0.00000
    119       0.6487      0.00000
    120       0.8357      0.00000
    121       0.9366      0.00000
    122       1.0616      0.00000
    123       1.2301      0.00000
    124       1.4457      0.00000
    125       1.5438      0.00000
    126       1.7663      0.00000
    127       1.7926      0.00000
    128       1.8743      0.00000
    129       1.9623      0.00000
    130       2.0451      0.00000
    131       2.1698      0.00000
    132       2.1964      0.00000
    133       2.4058      0.00000
    134       2.4705      0.00000
    135       2.5378      0.00000
    136       2.6042      0.00000
    137       2.6401      0.00000
    138       2.6921      0.00000
    139       2.7720      0.00000
    140       2.8280      0.00000
    141       2.9431      0.00000
    142       3.0774      0.00000
    143       3.1959      0.00000
    144       3.2173      0.00000
    145       3.2620      0.00000
    146       3.3227      0.00000
    147       3.3256      0.00000
    148       3.4626      0.00000
    149       3.4928      0.00000
    150       3.6976      0.00000
    151       3.7067      0.00000
    152       3.7254      0.00000
    153       3.8543      0.00000
    154       3.9138      0.00000
    155       3.9391      0.00000
    156       3.9788      0.00000
    157       4.0175      0.00000
    158       4.0326      0.00000
    159       4.0453      0.00000
    160       4.0691      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2118      1.00000
      2     -22.1188      1.00000
      3     -21.9581      1.00000
      4     -21.4056      1.00000
      5     -21.0510      1.00000
      6     -21.0150      1.00000
      7     -20.5018      1.00000
      8     -20.4624      1.00000
      9     -20.2960      1.00000
     10     -20.2767      1.00000
     11     -19.9586      1.00000
     12     -19.8929      1.00000
     13     -18.8834      1.00000
     14     -18.8147      1.00000
     15     -18.3537      1.00000
     16     -18.3075      1.00000
     17     -18.1539      1.00000
     18     -18.1367      1.00000
     19     -17.8275      1.00000
     20     -17.7899      1.00000
     21     -17.2524      1.00000
     22     -17.2424      1.00000
     23     -17.1654      1.00000
     24     -17.1336      1.00000
     25     -16.1108      1.00000
     26     -15.8864      1.00000
     27     -15.8710      1.00000
     28     -15.8348      1.00000
     29     -15.2370      1.00000
     30     -14.5558      1.00000
     31     -14.5279      1.00000
     32     -14.2807      1.00000
     33     -13.9643      1.00000
     34     -13.9568      1.00000
     35     -13.8207      1.00000
     36     -13.8049      1.00000
     37     -13.6152      1.00000
     38     -13.5714      1.00000
     39     -13.3709      1.00000
     40     -12.6353      1.00000
     41     -12.1815      1.00000
     42     -12.1334      1.00000
     43     -12.0729      1.00000
     44     -12.0206      1.00000
     45     -11.6699      1.00000
     46     -11.6564      1.00000
     47     -11.1393      1.00000
     48     -11.1188      1.00000
     49     -10.7953      1.00000
     50     -10.7317      1.00000
     51     -10.5294      1.00000
     52     -10.2089      1.00000
     53     -10.2063      1.00000
     54     -10.1654      1.00000
     55     -10.0182      1.00000
     56     -10.0048      1.00000
     57      -9.9911      1.00000
     58      -9.8017      1.00000
     59      -9.7978      1.00000
     60      -9.7626      1.00000
     61      -9.7578      1.00000
     62      -9.4551      1.00000
     63      -9.4179      1.00000
     64      -9.0810      1.00000
     65      -9.0727      1.00000
     66      -9.0411      1.00000
     67      -8.9557      1.00000
     68      -8.8778      1.00000
     69      -8.7124      1.00000
     70      -8.7001      1.00000
     71      -8.5663      1.00000
     72      -8.5434      1.00000
     73      -8.4997      1.00000
     74      -8.4628      1.00000
     75      -8.4537      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0437      1.00000
     79      -7.9158      1.00000
     80      -7.8635      1.00000
     81      -7.6151      1.00000
     82      -7.5488      1.00000
     83      -7.4902      1.00000
     84      -7.2681      1.00000
     85      -6.9952      1.00000
     86      -6.9231      1.00000
     87      -6.8820      1.00000
     88      -6.5326      1.00000
     89      -6.4872      1.00000
     90      -6.4614      1.00000
     91      -6.4104      1.00000
     92      -5.9840      1.00000
     93      -5.8976      1.00000
     94      -5.7846      1.00000
     95      -5.7597      1.00000
     96      -5.4322      1.00000
     97      -5.3293      1.00000
     98      -5.2303      1.00000
     99      -5.2178      1.00000
    100      -5.1884      1.00000
    101      -4.6922      1.00000
    102      -4.4215      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5291      1.00000
    106      -3.2741      1.00000
    107      -2.5311      0.00000
    108      -1.4579      0.00000
    109      -1.2666      0.00000
    110      -1.2028      0.00000
    111      -1.1724      0.00000
    112      -0.7195      0.00000
    113      -0.5033      0.00000
    114      -0.4118      0.00000
    115      -0.3394      0.00000
    116      -0.1458      0.00000
    117      -0.0026      0.00000
    118       0.1938      0.00000
    119       0.5612      0.00000
    120       0.6126      0.00000
    121       0.7939      0.00000
    122       0.9039      0.00000
    123       1.1294      0.00000
    124       1.4886      0.00000
    125       1.6315      0.00000
    126       1.8445      0.00000
    127       1.9226      0.00000
    128       2.1009      0.00000
    129       2.1106      0.00000
    130       2.1629      0.00000
    131       2.1929      0.00000
    132       2.2798      0.00000
    133       2.3449      0.00000
    134       2.4737      0.00000
    135       2.5829      0.00000
    136       2.6543      0.00000
    137       2.8506      0.00000
    138       2.8710      0.00000
    139       2.8910      0.00000
    140       3.0100      0.00000
    141       3.0181      0.00000
    142       3.1361      0.00000
    143       3.1892      0.00000
    144       3.2304      0.00000
    145       3.2709      0.00000
    146       3.2812      0.00000
    147       3.2987      0.00000
    148       3.3441      0.00000
    149       3.4192      0.00000
    150       3.4419      0.00000
    151       3.5481      0.00000
    152       3.6210      0.00000
    153       3.7171      0.00000
    154       3.7373      0.00000
    155       3.7675      0.00000
    156       3.8920      0.00000
    157       3.9361      0.00000
    158       4.0004      0.00000
    159       4.1232      0.00000
    160       4.2165      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3186      1.00000
      2     -21.9656      1.00000
      3     -21.8934      1.00000
      4     -21.3858      1.00000
      5     -21.3494      1.00000
      6     -20.8406      1.00000
      7     -20.7742      1.00000
      8     -20.6261      1.00000
      9     -20.0906      1.00000
     10     -20.0618      1.00000
     11     -19.7194      1.00000
     12     -19.6906      1.00000
     13     -19.0107      1.00000
     14     -18.9796      1.00000
     15     -18.6506      1.00000
     16     -18.6178      1.00000
     17     -18.4615      1.00000
     18     -17.6611      1.00000
     19     -17.6475      1.00000
     20     -17.6113      1.00000
     21     -17.5787      1.00000
     22     -17.1379      1.00000
     23     -17.0979      1.00000
     24     -16.9662      1.00000
     25     -16.0086      1.00000
     26     -15.9238      1.00000
     27     -15.5997      1.00000
     28     -15.5761      1.00000
     29     -15.2802      1.00000
     30     -14.8773      1.00000
     31     -14.8303      1.00000
     32     -14.5752      1.00000
     33     -14.5374      1.00000
     34     -14.1642      1.00000
     35     -14.1602      1.00000
     36     -13.1625      1.00000
     37     -13.0968      1.00000
     38     -13.0237      1.00000
     39     -13.0188      1.00000
     40     -12.7183      1.00000
     41     -12.6951      1.00000
     42     -12.3413      1.00000
     43     -12.3141      1.00000
     44     -11.6317      1.00000
     45     -11.6225      1.00000
     46     -11.5705      1.00000
     47     -10.9410      1.00000
     48     -10.9232      1.00000
     49     -10.6694      1.00000
     50     -10.5900      1.00000
     51     -10.5735      1.00000
     52     -10.5009      1.00000
     53     -10.4896      1.00000
     54     -10.4393      1.00000
     55     -10.3567      1.00000
     56     -10.1044      1.00000
     57      -9.8984      1.00000
     58      -9.6091      1.00000
     59      -9.5519      1.00000
     60      -9.4548      1.00000
     61      -9.4179      1.00000
     62      -9.4098      1.00000
     63      -9.3798      1.00000
     64      -9.3726      1.00000
     65      -9.2680      1.00000
     66      -9.1650      1.00000
     67      -9.1411      1.00000
     68      -9.1157      1.00000
     69      -8.8661      1.00000
     70      -8.8601      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1930      1.00000
     75      -8.1705      1.00000
     76      -8.0761      1.00000
     77      -7.8579      1.00000
     78      -7.8370      1.00000
     79      -7.8241      1.00000
     80      -7.7104      1.00000
     81      -7.6960      1.00000
     82      -7.5977      1.00000
     83      -7.5301      1.00000
     84      -7.3506      1.00000
     85      -7.1680      1.00000
     86      -6.9050      1.00000
     87      -6.8957      1.00000
     88      -6.5927      1.00000
     89      -6.5515      1.00000
     90      -6.4061      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2007      1.00000
     94      -6.0041      1.00000
     95      -5.5319      1.00000
     96      -5.4653      1.00000
     97      -5.3142      1.00000
     98      -5.2096      1.00000
     99      -5.0469      1.00000
    100      -4.7235      1.00000
    101      -4.6716      1.00000
    102      -4.4239      1.00000
    103      -4.1947      1.00000
    104      -3.8428      1.00000
    105      -3.6344      1.00000
    106      -3.4162      1.00000
    107      -2.2924      0.00000
    108      -1.5092      0.00000
    109      -1.2699      0.00000
    110      -1.2622      0.00000
    111      -1.0342      0.00000
    112      -0.9778      0.00000
    113      -0.8680      0.00000
    114      -0.7997      0.00000
    115      -0.2616      0.00000
    116       0.2045      0.00000
    117       0.2397      0.00000
    118       0.3599      0.00000
    119       0.6881      0.00000
    120       0.8940      0.00000
    121       0.9237      0.00000
    122       1.0385      0.00000
    123       1.1643      0.00000
    124       1.5070      0.00000
    125       1.5534      0.00000
    126       1.7074      0.00000
    127       1.7783      0.00000
    128       1.8335      0.00000
    129       1.9640      0.00000
    130       1.9802      0.00000
    131       2.1877      0.00000
    132       2.2547      0.00000
    133       2.4093      0.00000
    134       2.4773      0.00000
    135       2.5372      0.00000
    136       2.6000      0.00000
    137       2.6188      0.00000
    138       2.6952      0.00000
    139       2.7525      0.00000
    140       2.8569      0.00000
    141       3.0317      0.00000
    142       3.0756      0.00000
    143       3.1886      0.00000
    144       3.2492      0.00000
    145       3.2653      0.00000
    146       3.2969      0.00000
    147       3.3487      0.00000
    148       3.4472      0.00000
    149       3.5145      0.00000
    150       3.6886      0.00000
    151       3.7165      0.00000
    152       3.7455      0.00000
    153       3.8280      0.00000
    154       3.8902      0.00000
    155       3.9264      0.00000
    156       3.9759      0.00000
    157       4.0063      0.00000
    158       4.0449      0.00000
    159       4.0511      0.00000
    160       4.0863      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3908      1.00000
      2     -21.8320      1.00000
      3     -21.6426      1.00000
      4     -21.6076      1.00000
      5     -21.2799      1.00000
      6     -21.2329      1.00000
      7     -21.0576      1.00000
      8     -20.1725      1.00000
      9     -20.1263      1.00000
     10     -19.6178      1.00000
     11     -19.5916      1.00000
     12     -19.4166      1.00000
     13     -19.0955      1.00000
     14     -19.0568      1.00000
     15     -19.0524      1.00000
     16     -19.0396      1.00000
     17     -18.3675      1.00000
     18     -18.3477      1.00000
     19     -18.0174      1.00000
     20     -17.0729      1.00000
     21     -17.0242      1.00000
     22     -16.9502      1.00000
     23     -16.9363      1.00000
     24     -16.4752      1.00000
     25     -16.4632      1.00000
     26     -15.6099      1.00000
     27     -15.6095      1.00000
     28     -15.2503      1.00000
     29     -15.2382      1.00000
     30     -15.1922      1.00000
     31     -15.1021      1.00000
     32     -15.0691      1.00000
     33     -14.6987      1.00000
     34     -14.6977      1.00000
     35     -13.7252      1.00000
     36     -13.7252      1.00000
     37     -13.2358      1.00000
     38     -12.6245      1.00000
     39     -12.5804      1.00000
     40     -12.4554      1.00000
     41     -12.4500      1.00000
     42     -12.1051      1.00000
     43     -12.1002      1.00000
     44     -11.7217      1.00000
     45     -11.6831      1.00000
     46     -11.2454      1.00000
     47     -11.2248      1.00000
     48     -11.0181      1.00000
     49     -11.0064      1.00000
     50     -10.9279      1.00000
     51     -10.8992      1.00000
     52     -10.6376      1.00000
     53     -10.1728      1.00000
     54     -10.1498      1.00000
     55     -10.0851      1.00000
     56      -9.9926      1.00000
     57      -9.6965      1.00000
     58      -9.6899      1.00000
     59      -9.6709      1.00000
     60      -9.5913      1.00000
     61      -9.5673      1.00000
     62      -9.5542      1.00000
     63      -9.3131      1.00000
     64      -9.3004      1.00000
     65      -9.2837      1.00000
     66      -9.2428      1.00000
     67      -9.1227      1.00000
     68      -9.1128      1.00000
     69      -9.1112      1.00000
     70      -8.9400      1.00000
     71      -8.8750      1.00000
     72      -8.6047      1.00000
     73      -8.5860      1.00000
     74      -8.2712      1.00000
     75      -8.1015      1.00000
     76      -7.8673      1.00000
     77      -7.8439      1.00000
     78      -7.7907      1.00000
     79      -7.7649      1.00000
     80      -7.7559      1.00000
     81      -7.4473      1.00000
     82      -7.3349      1.00000
     83      -7.3234      1.00000
     84      -7.2663      1.00000
     85      -7.1628      1.00000
     86      -7.0146      1.00000
     87      -6.9867      1.00000
     88      -6.7179      1.00000
     89      -6.6908      1.00000
     90      -6.6318      1.00000
     91      -6.5907      1.00000
     92      -6.1178      1.00000
     93      -6.0588      1.00000
     94      -6.0448      1.00000
     95      -6.0284      1.00000
     96      -5.7480      1.00000
     97      -4.9747      1.00000
     98      -4.8396      1.00000
     99      -4.7090      1.00000
    100      -4.6734      1.00000
    101      -4.4836      1.00000
    102      -4.3522      1.00000
    103      -4.1119      1.00000
    104      -4.0555      1.00000
    105      -3.7550      1.00000
    106      -3.4654      1.00000
    107      -1.9504      0.00000
    108      -1.7710      0.00000
    109      -1.4797      0.00000
    110      -1.3554      0.00000
    111      -1.3358      0.00000
    112      -1.2925      0.00000
    113      -0.6785      0.00000
    114      -0.4719      0.00000
    115      -0.2353      0.00000
    116       0.0516      0.00000
    117       0.5843      0.00000
    118       0.6926      0.00000
    119       0.7701      0.00000
    120       1.0224      0.00000
    121       1.0971      0.00000
    122       1.1757      0.00000
    123       1.2492      0.00000
    124       1.3324      0.00000
    125       1.4294      0.00000
    126       1.5921      0.00000
    127       1.7663      0.00000
    128       1.8412      0.00000
    129       1.8612      0.00000
    130       1.8861      0.00000
    131       2.0478      0.00000
    132       2.2142      0.00000
    133       2.2263      0.00000
    134       2.2797      0.00000
    135       2.4769      0.00000
    136       2.6119      0.00000
    137       2.6487      0.00000
    138       2.7442      0.00000
    139       2.7918      0.00000
    140       2.8361      0.00000
    141       2.8460      0.00000
    142       2.8820      0.00000
    143       2.9543      0.00000
    144       3.0760      0.00000
    145       3.3124      0.00000
    146       3.3566      0.00000
    147       3.4096      0.00000
    148       3.4217      0.00000
    149       3.4242      0.00000
    150       3.5965      0.00000
    151       3.6558      0.00000
    152       3.6705      0.00000
    153       3.7259      0.00000
    154       3.8917      0.00000
    155       3.9195      0.00000
    156       3.9555      0.00000
    157       4.1072      0.00000
    158       4.2025      0.00000
    159       4.2480      0.00000
    160       4.2800      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2109      1.00000
      2     -22.1202      1.00000
      3     -21.9578      1.00000
      4     -21.4057      1.00000
      5     -21.0471      1.00000
      6     -21.0188      1.00000
      7     -20.4970      1.00000
      8     -20.4671      1.00000
      9     -20.2872      1.00000
     10     -20.2852      1.00000
     11     -19.9575      1.00000
     12     -19.8944      1.00000
     13     -18.8840      1.00000
     14     -18.8165      1.00000
     15     -18.3384      1.00000
     16     -18.3194      1.00000
     17     -18.1497      1.00000
     18     -18.1423      1.00000
     19     -17.8164      1.00000
     20     -17.7984      1.00000
     21     -17.2585      1.00000
     22     -17.2390      1.00000
     23     -17.1607      1.00000
     24     -17.1359      1.00000
     25     -16.1174      1.00000
     26     -15.8810      1.00000
     27     -15.8700      1.00000
     28     -15.8408      1.00000
     29     -15.2312      1.00000
     30     -14.5512      1.00000
     31     -14.5328      1.00000
     32     -14.2759      1.00000
     33     -13.9754      1.00000
     34     -13.9518      1.00000
     35     -13.8252      1.00000
     36     -13.8029      1.00000
     37     -13.6043      1.00000
     38     -13.5790      1.00000
     39     -13.3711      1.00000
     40     -12.6395      1.00000
     41     -12.1689      1.00000
     42     -12.1426      1.00000
     43     -12.0683      1.00000
     44     -12.0215      1.00000
     45     -11.6654      1.00000
     46     -11.6607      1.00000
     47     -11.1367      1.00000
     48     -11.1256      1.00000
     49     -10.7903      1.00000
     50     -10.7342      1.00000
     51     -10.5361      1.00000
     52     -10.2088      1.00000
     53     -10.2027      1.00000
     54     -10.1711      1.00000
     55     -10.0232      1.00000
     56      -9.9948      1.00000
     57      -9.9906      1.00000
     58      -9.8054      1.00000
     59      -9.7964      1.00000
     60      -9.7647      1.00000
     61      -9.7568      1.00000
     62      -9.4542      1.00000
     63      -9.4178      1.00000
     64      -9.0851      1.00000
     65      -9.0462      1.00000
     66      -9.0259      1.00000
     67      -8.9696      1.00000
     68      -8.8981      1.00000
     69      -8.7085      1.00000
     70      -8.6992      1.00000
     71      -8.5598      1.00000
     72      -8.5490      1.00000
     73      -8.4781      1.00000
     74      -8.4597      1.00000
     75      -8.4570      1.00000
     76      -8.3087      1.00000
     77      -8.0954      1.00000
     78      -8.0896      1.00000
     79      -7.9268      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5366      1.00000
     83      -7.4438      1.00000
     84      -7.3142      1.00000
     85      -6.9941      1.00000
     86      -6.9193      1.00000
     87      -6.8824      1.00000
     88      -6.5274      1.00000
     89      -6.5148      1.00000
     90      -6.4807      1.00000
     91      -6.4207      1.00000
     92      -5.9272      1.00000
     93      -5.9053      1.00000
     94      -5.7889      1.00000
     95      -5.7750      1.00000
     96      -5.3694      1.00000
     97      -5.3632      1.00000
     98      -5.2204      1.00000
     99      -5.2154      1.00000
    100      -5.1988      1.00000
    101      -4.7203      1.00000
    102      -4.4424      1.00000
    103      -4.1909      1.00000
    104      -3.8204      1.00000
    105      -3.5654      1.00000
    106      -3.2214      1.00000
    107      -2.5624      0.00000
    108      -1.4630      0.00000
    109      -1.2673      0.00000
    110      -1.1850      0.00000
    111      -1.1836      0.00000
    112      -0.6446      0.00000
    113      -0.5513      0.00000
    114      -0.4146      0.00000
    115      -0.3472      0.00000
    116      -0.0776      0.00000
    117      -0.0632      0.00000
    118       0.1259      0.00000
    119       0.5933      0.00000
    120       0.6263      0.00000
    121       0.8523      0.00000
    122       0.9823      0.00000
    123       1.0012      0.00000
    124       1.4917      0.00000
    125       1.6804      0.00000
    126       1.7558      0.00000
    127       1.8542      0.00000
    128       2.1061      0.00000
    129       2.1567      0.00000
    130       2.1927      0.00000
    131       2.2102      0.00000
    132       2.2591      0.00000
    133       2.3586      0.00000
    134       2.4910      0.00000
    135       2.5202      0.00000
    136       2.6597      0.00000
    137       2.8526      0.00000
    138       2.8586      0.00000
    139       2.9501      0.00000
    140       2.9965      0.00000
    141       3.0321      0.00000
    142       3.1318      0.00000
    143       3.2032      0.00000
    144       3.2421      0.00000
    145       3.2458      0.00000
    146       3.2782      0.00000
    147       3.3011      0.00000
    148       3.3520      0.00000
    149       3.4166      0.00000
    150       3.5450      0.00000
    151       3.5621      0.00000
    152       3.6424      0.00000
    153       3.6611      0.00000
    154       3.7126      0.00000
    155       3.7339      0.00000
    156       3.8938      0.00000
    157       3.9570      0.00000
    158       4.0310      0.00000
    159       4.0685      0.00000
    160       4.1771      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2844      1.00000
      2     -22.0798      1.00000
      3     -21.7214      1.00000
      4     -21.6822      1.00000
      5     -20.9838      1.00000
      6     -20.9361      1.00000
      7     -20.6124      1.00000
      8     -20.5802      1.00000
      9     -20.5666      1.00000
     10     -20.0332      1.00000
     11     -19.5142      1.00000
     12     -19.4841      1.00000
     13     -19.3122      1.00000
     14     -19.2991      1.00000
     15     -18.4504      1.00000
     16     -18.4073      1.00000
     17     -17.9282      1.00000
     18     -17.9078      1.00000
     19     -17.7667      1.00000
     20     -17.7217      1.00000
     21     -17.4422      1.00000
     22     -17.4237      1.00000
     23     -17.3388      1.00000
     24     -16.4713      1.00000
     25     -16.4610      1.00000
     26     -15.9713      1.00000
     27     -15.4114      1.00000
     28     -15.4104      1.00000
     29     -15.0963      1.00000
     30     -15.0933      1.00000
     31     -14.8534      1.00000
     32     -14.8411      1.00000
     33     -14.2983      1.00000
     34     -14.2546      1.00000
     35     -13.4447      1.00000
     36     -13.4009      1.00000
     37     -13.1753      1.00000
     38     -13.1739      1.00000
     39     -12.9863      1.00000
     40     -12.9774      1.00000
     41     -12.6108      1.00000
     42     -12.6088      1.00000
     43     -12.1973      1.00000
     44     -11.5796      1.00000
     45     -11.5385      1.00000
     46     -11.3135      1.00000
     47     -11.2832      1.00000
     48     -11.1424      1.00000
     49     -10.6925      1.00000
     50     -10.6631      1.00000
     51     -10.5474      1.00000
     52     -10.3227      1.00000
     53     -10.3150      1.00000
     54     -10.1762      1.00000
     55     -10.1213      1.00000
     56     -10.1080      1.00000
     57      -9.8119      1.00000
     58      -9.7529      1.00000
     59      -9.7524      1.00000
     60      -9.7026      1.00000
     61      -9.6986      1.00000
     62      -9.6473      1.00000
     63      -9.3529      1.00000
     64      -9.3515      1.00000
     65      -9.3177      1.00000
     66      -9.0282      1.00000
     67      -8.9617      1.00000
     68      -8.9579      1.00000
     69      -8.7758      1.00000
     70      -8.5914      1.00000
     71      -8.5885      1.00000
     72      -8.4240      1.00000
     73      -8.3499      1.00000
     74      -8.3224      1.00000
     75      -8.3022      1.00000
     76      -8.2656      1.00000
     77      -8.2540      1.00000
     78      -8.2392      1.00000
     79      -7.9216      1.00000
     80      -7.7341      1.00000
     81      -7.3798      1.00000
     82      -7.3502      1.00000
     83      -7.3237      1.00000
     84      -7.2175      1.00000
     85      -7.1604      1.00000
     86      -7.0654      1.00000
     87      -6.9609      1.00000
     88      -6.9054      1.00000
     89      -6.6131      1.00000
     90      -6.5568      1.00000
     91      -6.2707      1.00000
     92      -5.9967      1.00000
     93      -5.9595      1.00000
     94      -5.6753      1.00000
     95      -5.6487      1.00000
     96      -5.3875      1.00000
     97      -5.3151      1.00000
     98      -5.2940      1.00000
     99      -5.2120      1.00000
    100      -5.2004      1.00000
    101      -4.5115      1.00000
    102      -4.3387      1.00000
    103      -3.9965      1.00000
    104      -3.8859      1.00000
    105      -3.7929      1.00000
    106      -3.4433      1.00000
    107      -2.0343      0.00000
    108      -1.8633      0.00000
    109      -1.2175      0.00000
    110      -1.1841      0.00000
    111      -1.0357      0.00000
    112      -0.7721      0.00000
    113      -0.6772      0.00000
    114      -0.6598      0.00000
    115      -0.6095      0.00000
    116      -0.1018      0.00000
    117       0.2227      0.00000
    118       0.2396      0.00000
    119       0.7664      0.00000
    120       0.9812      0.00000
    121       1.0735      0.00000
    122       1.2408      0.00000
    123       1.2506      0.00000
    124       1.3386      0.00000
    125       1.5761      0.00000
    126       1.5851      0.00000
    127       1.6951      0.00000
    128       1.7959      0.00000
    129       1.9412      0.00000
    130       1.9531      0.00000
    131       2.0946      0.00000
    132       2.3028      0.00000
    133       2.3426      0.00000
    134       2.4116      0.00000
    135       2.5371      0.00000
    136       2.6257      0.00000
    137       2.7773      0.00000
    138       2.8376      0.00000
    139       2.8392      0.00000
    140       2.8630      0.00000
    141       3.0415      0.00000
    142       3.0957      0.00000
    143       3.1456      0.00000
    144       3.2160      0.00000
    145       3.3731      0.00000
    146       3.4115      0.00000
    147       3.4983      0.00000
    148       3.5417      0.00000
    149       3.5895      0.00000
    150       3.6073      0.00000
    151       3.6419      0.00000
    152       3.7323      0.00000
    153       3.7405      0.00000
    154       3.7778      0.00000
    155       3.8267      0.00000
    156       3.8772      0.00000
    157       4.0205      0.00000
    158       4.0816      0.00000
    159       4.1630      0.00000
    160       4.2044      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4275      1.00000
      2     -21.6043      1.00000
      3     -21.4826      1.00000
      4     -21.4735      1.00000
      5     -21.4419      1.00000
      6     -21.4411      1.00000
      7     -21.4310      1.00000
      8     -19.7084      1.00000
      9     -19.6535      1.00000
     10     -19.6302      1.00000
     11     -19.6191      1.00000
     12     -19.6139      1.00000
     13     -19.6129      1.00000
     14     -18.7905      1.00000
     15     -18.7554      1.00000
     16     -18.7356      1.00000
     17     -18.7260      1.00000
     18     -18.7189      1.00000
     19     -18.7136      1.00000
     20     -16.6353      1.00000
     21     -16.6094      1.00000
     22     -16.5851      1.00000
     23     -16.5816      1.00000
     24     -16.5547      1.00000
     25     -16.5529      1.00000
     26     -15.6153      1.00000
     27     -15.6025      1.00000
     28     -15.5993      1.00000
     29     -15.5652      1.00000
     30     -15.5634      1.00000
     31     -15.5626      1.00000
     32     -14.2602      1.00000
     33     -14.2509      1.00000
     34     -14.2409      1.00000
     35     -14.2359      1.00000
     36     -14.2228      1.00000
     37     -14.2199      1.00000
     38     -11.9059      1.00000
     39     -11.8789      1.00000
     40     -11.8677      1.00000
     41     -11.8657      1.00000
     42     -11.8449      1.00000
     43     -11.8448      1.00000
     44     -11.7715      1.00000
     45     -11.7687      1.00000
     46     -11.7361      1.00000
     47     -11.7294      1.00000
     48     -11.7251      1.00000
     49     -11.7227      1.00000
     50     -10.6766      1.00000
     51     -10.3889      1.00000
     52     -10.3838      1.00000
     53     -10.3769      1.00000
     54     -10.3692      1.00000
     55     -10.3558      1.00000
     56     -10.3537      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4060      1.00000
     60      -9.3629      1.00000
     61      -9.3623      1.00000
     62      -9.3545      1.00000
     63      -9.1424      1.00000
     64      -9.1217      1.00000
     65      -9.1211      1.00000
     66      -9.0847      1.00000
     67      -9.0718      1.00000
     68      -9.0712      1.00000
     69      -9.0711      1.00000
     70      -9.0640      1.00000
     71      -9.0640      1.00000
     72      -9.0384      1.00000
     73      -9.0288      1.00000
     74      -9.0256      1.00000
     75      -8.1302      1.00000
     76      -7.7457      1.00000
     77      -7.4686      1.00000
     78      -7.4665      1.00000
     79      -7.4537      1.00000
     80      -7.4340      1.00000
     81      -7.4246      1.00000
     82      -7.4065      1.00000
     83      -7.3130      1.00000
     84      -7.2712      1.00000
     85      -7.2575      1.00000
     86      -7.2490      1.00000
     87      -7.1508      1.00000
     88      -7.0494      1.00000
     89      -6.4463      1.00000
     90      -6.4161      1.00000
     91      -6.4004      1.00000
     92      -6.3637      1.00000
     93      -6.3530      1.00000
     94      -6.3407      1.00000
     95      -5.9584      1.00000
     96      -5.9579      1.00000
     97      -4.8064      1.00000
     98      -4.5443      1.00000
     99      -4.4814      1.00000
    100      -4.4743      1.00000
    101      -4.3822      1.00000
    102      -4.3816      1.00000
    103      -4.2678      1.00000
    104      -4.1872      1.00000
    105      -3.7392      1.00000
    106      -3.4775      1.00000
    107      -1.8617      0.00000
    108      -1.6705      0.00000
    109      -1.6240      0.00000
    110      -1.5912      0.00000
    111      -1.5757      0.00000
    112      -1.5748      0.00000
    113      -0.4288      0.00000
    114       0.1458      0.00000
    115       0.1922      0.00000
    116       0.2558      0.00000
    117       0.2676      0.00000
    118       0.2715      0.00000
    119       0.4771      0.00000
    120       0.5445      0.00000
    121       1.2442      0.00000
    122       1.2894      0.00000
    123       1.5297      0.00000
    124       1.7683      0.00000
    125       1.7712      0.00000
    126       1.7714      0.00000
    127       1.8085      0.00000
    128       1.8287      0.00000
    129       1.9589      0.00000
    130       1.9678      0.00000
    131       1.9746      0.00000
    132       1.9894      0.00000
    133       1.9966      0.00000
    134       2.0753      0.00000
    135       2.2440      0.00000
    136       2.3466      0.00000
    137       2.6006      0.00000
    138       2.6029      0.00000
    139       2.6279      0.00000
    140       2.7028      0.00000
    141       2.9317      0.00000
    142       3.0531      0.00000
    143       3.0728      0.00000
    144       3.1032      0.00000
    145       3.1085      0.00000
    146       3.1138      0.00000
    147       3.1170      0.00000
    148       3.2708      0.00000
    149       3.4520      0.00000
    150       3.5021      0.00000
    151       3.8239      0.00000
    152       3.9486      0.00000
    153       3.9536      0.00000
    154       3.9571      0.00000
    155       3.9576      0.00000
    156       3.9944      0.00000
    157       4.1856      0.00000
    158       4.2608      0.00000
    159       4.2751      0.00000
    160       4.2823      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3908      1.00000
      2     -21.8317      1.00000
      3     -21.6394      1.00000
      4     -21.6115      1.00000
      5     -21.2758      1.00000
      6     -21.2364      1.00000
      7     -21.0580      1.00000
      8     -20.1687      1.00000
      9     -20.1304      1.00000
     10     -19.6095      1.00000
     11     -19.5985      1.00000
     12     -19.4180      1.00000
     13     -19.0905      1.00000
     14     -19.0608      1.00000
     15     -19.0497      1.00000
     16     -19.0423      1.00000
     17     -18.3614      1.00000
     18     -18.3530      1.00000
     19     -18.0197      1.00000
     20     -17.0697      1.00000
     21     -17.0309      1.00000
     22     -16.9443      1.00000
     23     -16.9405      1.00000
     24     -16.4684      1.00000
     25     -16.4637      1.00000
     26     -15.6148      1.00000
     27     -15.6080      1.00000
     28     -15.2532      1.00000
     29     -15.2440      1.00000
     30     -15.1852      1.00000
     31     -15.0984      1.00000
     32     -15.0715      1.00000
     33     -14.6991      1.00000
     34     -14.6971      1.00000
     35     -13.7269      1.00000
     36     -13.7244      1.00000
     37     -13.2360      1.00000
     38     -12.6144      1.00000
     39     -12.5842      1.00000
     40     -12.4547      1.00000
     41     -12.4511      1.00000
     42     -12.1095      1.00000
     43     -12.1049      1.00000
     44     -11.7178      1.00000
     45     -11.6869      1.00000
     46     -11.2353      1.00000
     47     -11.2260      1.00000
     48     -11.0180      1.00000
     49     -11.0101      1.00000
     50     -10.9271      1.00000
     51     -10.9056      1.00000
     52     -10.6316      1.00000
     53     -10.1552      1.00000
     54     -10.1511      1.00000
     55     -10.0919      1.00000
     56      -9.9990      1.00000
     57      -9.7032      1.00000
     58      -9.6951      1.00000
     59      -9.6565      1.00000
     60      -9.5921      1.00000
     61      -9.5770      1.00000
     62      -9.5589      1.00000
     63      -9.3072      1.00000
     64      -9.3034      1.00000
     65      -9.2746      1.00000
     66      -9.2369      1.00000
     67      -9.1372      1.00000
     68      -9.1151      1.00000
     69      -9.1115      1.00000
     70      -8.9402      1.00000
     71      -8.8724      1.00000
     72      -8.6045      1.00000
     73      -8.5909      1.00000
     74      -8.2367      1.00000
     75      -8.1004      1.00000
     76      -7.9135      1.00000
     77      -7.8639      1.00000
     78      -7.7716      1.00000
     79      -7.7569      1.00000
     80      -7.6923      1.00000
     81      -7.5606      1.00000
     82      -7.3387      1.00000
     83      -7.3227      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0124      1.00000
     88      -6.7046      1.00000
     89      -6.6783      1.00000
     90      -6.6413      1.00000
     91      -6.5978      1.00000
     92      -6.1157      1.00000
     93      -6.0623      1.00000
     94      -6.0312      1.00000
     95      -6.0115      1.00000
     96      -5.7834      1.00000
     97      -4.9744      1.00000
     98      -4.8321      1.00000
     99      -4.7470      1.00000
    100      -4.6794      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1718      1.00000
    104      -4.1279      1.00000
    105      -3.7296      1.00000
    106      -3.4877      1.00000
    107      -1.8702      0.00000
    108      -1.8088      0.00000
    109      -1.5242      0.00000
    110      -1.3775      0.00000
    111      -1.3213      0.00000
    112      -1.2879      0.00000
    113      -0.7198      0.00000
    114      -0.3759      0.00000
    115      -0.2498      0.00000
    116       0.0369      0.00000
    117       0.5532      0.00000
    118       0.6980      0.00000
    119       0.7462      0.00000
    120       1.0476      0.00000
    121       1.1001      0.00000
    122       1.1483      0.00000
    123       1.2269      0.00000
    124       1.3748      0.00000
    125       1.5203      0.00000
    126       1.5763      0.00000
    127       1.7133      0.00000
    128       1.8182      0.00000
    129       1.8587      0.00000
    130       1.8813      0.00000
    131       2.0954      0.00000
    132       2.1817      0.00000
    133       2.2388      0.00000
    134       2.3015      0.00000
    135       2.5081      0.00000
    136       2.5817      0.00000
    137       2.6483      0.00000
    138       2.7759      0.00000
    139       2.7943      0.00000
    140       2.8263      0.00000
    141       2.8691      0.00000
    142       2.8964      0.00000
    143       2.9490      0.00000
    144       3.0722      0.00000
    145       3.1479      0.00000
    146       3.3152      0.00000
    147       3.3928      0.00000
    148       3.4384      0.00000
    149       3.4630      0.00000
    150       3.6137      0.00000
    151       3.6459      0.00000
    152       3.6692      0.00000
    153       3.7114      0.00000
    154       3.9043      0.00000
    155       3.9583      0.00000
    156       4.0128      0.00000
    157       4.0666      0.00000
    158       4.2313      0.00000
    159       4.2465      0.00000
    160       4.2738      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2848      1.00000
      2     -22.0792      1.00000
      3     -21.7178      1.00000
      4     -21.6860      1.00000
      5     -20.9805      1.00000
      6     -20.9399      1.00000
      7     -20.6129      1.00000
      8     -20.5762      1.00000
      9     -20.5699      1.00000
     10     -20.0336      1.00000
     11     -19.5043      1.00000
     12     -19.4926      1.00000
     13     -19.3077      1.00000
     14     -19.3025      1.00000
     15     -18.4484      1.00000
     16     -18.4117      1.00000
     17     -17.9229      1.00000
     18     -17.9136      1.00000
     19     -17.7622      1.00000
     20     -17.7265      1.00000
     21     -17.4364      1.00000
     22     -17.4291      1.00000
     23     -17.3414      1.00000
     24     -16.4634      1.00000
     25     -16.4622      1.00000
     26     -15.9676      1.00000
     27     -15.4150      1.00000
     28     -15.4095      1.00000
     29     -15.0972      1.00000
     30     -15.0937      1.00000
     31     -14.8554      1.00000
     32     -14.8477      1.00000
     33     -14.2906      1.00000
     34     -14.2578      1.00000
     35     -13.4369      1.00000
     36     -13.4044      1.00000
     37     -13.1778      1.00000
     38     -13.1745      1.00000
     39     -12.9825      1.00000
     40     -12.9776      1.00000
     41     -12.6133      1.00000
     42     -12.6102      1.00000
     43     -12.1979      1.00000
     44     -11.5770      1.00000
     45     -11.5433      1.00000
     46     -11.3111      1.00000
     47     -11.2883      1.00000
     48     -11.1421      1.00000
     49     -10.6766      1.00000
     50     -10.6605      1.00000
     51     -10.5536      1.00000
     52     -10.3235      1.00000
     53     -10.3180      1.00000
     54     -10.1699      1.00000
     55     -10.1155      1.00000
     56     -10.1128      1.00000
     57      -9.7987      1.00000
     58      -9.7649      1.00000
     59      -9.7523      1.00000
     60      -9.7003      1.00000
     61      -9.6970      1.00000
     62      -9.6626      1.00000
     63      -9.3544      1.00000
     64      -9.3517      1.00000
     65      -9.3157      1.00000
     66      -9.0414      1.00000
     67      -8.9621      1.00000
     68      -8.9498      1.00000
     69      -8.7999      1.00000
     70      -8.5951      1.00000
     71      -8.5580      1.00000
     72      -8.3988      1.00000
     73      -8.3652      1.00000
     74      -8.3246      1.00000
     75      -8.3071      1.00000
     76      -8.2589      1.00000
     77      -8.2572      1.00000
     78      -8.2364      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3864      1.00000
     83      -7.3493      1.00000
     84      -7.2307      1.00000
     85      -7.0967      1.00000
     86      -7.0390      1.00000
     87      -6.9341      1.00000
     88      -6.8483      1.00000
     89      -6.6126      1.00000
     90      -6.5585      1.00000
     91      -6.2697      1.00000
     92      -6.0439      1.00000
     93      -5.9517      1.00000
     94      -5.6628      1.00000
     95      -5.6227      1.00000
     96      -5.4632      1.00000
     97      -5.3200      1.00000
     98      -5.2789      1.00000
     99      -5.2139      1.00000
    100      -5.1939      1.00000
    101      -4.5085      1.00000
    102      -4.2076      1.00000
    103      -4.0592      1.00000
    104      -3.9891      1.00000
    105      -3.6943      1.00000
    106      -3.4979      1.00000
    107      -1.9461      0.00000
    108      -1.8962      0.00000
    109      -1.3389      0.00000
    110      -1.0847      0.00000
    111      -1.0581      0.00000
    112      -0.8002      0.00000
    113      -0.6775      0.00000
    114      -0.6467      0.00000
    115      -0.6071      0.00000
    116      -0.1080      0.00000
    117       0.2157      0.00000
    118       0.3291      0.00000
    119       0.6915      0.00000
    120       0.8853      0.00000
    121       1.1266      0.00000
    122       1.1990      0.00000
    123       1.3237      0.00000
    124       1.4172      0.00000
    125       1.5530      0.00000
    126       1.5757      0.00000
    127       1.6740      0.00000
    128       1.8066      0.00000
    129       1.8782      0.00000
    130       2.0507      0.00000
    131       2.1315      0.00000
    132       2.3315      0.00000
    133       2.3635      0.00000
    134       2.3905      0.00000
    135       2.5390      0.00000
    136       2.6280      0.00000
    137       2.7257      0.00000
    138       2.7679      0.00000
    139       2.8347      0.00000
    140       2.8776      0.00000
    141       3.0437      0.00000
    142       3.0524      0.00000
    143       3.1567      0.00000
    144       3.2599      0.00000
    145       3.3576      0.00000
    146       3.4119      0.00000
    147       3.4278      0.00000
    148       3.5638      0.00000
    149       3.5797      0.00000
    150       3.5946      0.00000
    151       3.6582      0.00000
    152       3.6715      0.00000
    153       3.7781      0.00000
    154       3.7990      0.00000
    155       3.8164      0.00000
    156       3.8943      0.00000
    157       3.9160      0.00000
    158       3.9935      0.00000
    159       4.2087      0.00000
    160       4.2249      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3188      1.00000
      2     -21.9641      1.00000
      3     -21.8949      1.00000
      4     -21.3821      1.00000
      5     -21.3529      1.00000
      6     -20.8408      1.00000
      7     -20.7755      1.00000
      8     -20.6252      1.00000
      9     -20.0787      1.00000
     10     -20.0730      1.00000
     11     -19.7177      1.00000
     12     -19.6933      1.00000
     13     -18.9974      1.00000
     14     -18.9915      1.00000
     15     -18.6415      1.00000
     16     -18.6256      1.00000
     17     -18.4629      1.00000
     18     -17.6759      1.00000
     19     -17.6255      1.00000
     20     -17.6227      1.00000
     21     -17.5808      1.00000
     22     -17.1272      1.00000
     23     -17.1057      1.00000
     24     -16.9626      1.00000
     25     -16.0022      1.00000
     26     -15.9304      1.00000
     27     -15.5864      1.00000
     28     -15.5860      1.00000
     29     -15.2875      1.00000
     30     -14.8646      1.00000
     31     -14.8374      1.00000
     32     -14.5793      1.00000
     33     -14.5374      1.00000
     34     -14.1693      1.00000
     35     -14.1557      1.00000
     36     -13.1483      1.00000
     37     -13.1011      1.00000
     38     -13.0300      1.00000
     39     -13.0198      1.00000
     40     -12.7093      1.00000
     41     -12.7052      1.00000
     42     -12.3421      1.00000
     43     -12.3109      1.00000
     44     -11.6364      1.00000
     45     -11.6228      1.00000
     46     -11.5726      1.00000
     47     -10.9500      1.00000
     48     -10.9169      1.00000
     49     -10.6328      1.00000
     50     -10.6246      1.00000
     51     -10.5478      1.00000
     52     -10.5001      1.00000
     53     -10.4998      1.00000
     54     -10.4397      1.00000
     55     -10.3605      1.00000
     56     -10.1000      1.00000
     57      -9.9042      1.00000
     58      -9.6085      1.00000
     59      -9.5563      1.00000
     60      -9.4529      1.00000
     61      -9.4125      1.00000
     62      -9.4055      1.00000
     63      -9.3774      1.00000
     64      -9.3770      1.00000
     65      -9.2879      1.00000
     66      -9.1690      1.00000
     67      -9.1434      1.00000
     68      -9.1151      1.00000
     69      -8.8651      1.00000
     70      -8.8575      1.00000
     71      -8.8157      1.00000
     72      -8.5974      1.00000
     73      -8.4805      1.00000
     74      -8.1990      1.00000
     75      -8.1635      1.00000
     76      -8.0093      1.00000
     77      -7.9639      1.00000
     78      -7.8504      1.00000
     79      -7.8404      1.00000
     80      -7.7042      1.00000
     81      -7.6968      1.00000
     82      -7.6224      1.00000
     83      -7.4490      1.00000
     84      -7.3009      1.00000
     85      -7.2532      1.00000
     86      -6.9064      1.00000
     87      -6.8926      1.00000
     88      -6.5889      1.00000
     89      -6.5514      1.00000
     90      -6.4060      1.00000
     91      -6.2536      1.00000
     92      -6.2329      1.00000
     93      -6.2055      1.00000
     94      -6.0232      1.00000
     95      -5.5501      1.00000
     96      -5.4890      1.00000
     97      -5.3504      1.00000
     98      -5.2197      1.00000
     99      -4.9794      1.00000
    100      -4.7326      1.00000
    101      -4.6780      1.00000
    102      -4.3875      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5463      1.00000
    106      -3.5099      1.00000
    107      -2.2562      0.00000
    108      -1.4564      0.00000
    109      -1.3712      0.00000
    110      -1.2417      0.00000
    111      -1.0978      0.00000
    112      -0.9449      0.00000
    113      -0.8635      0.00000
    114      -0.8031      0.00000
    115      -0.1393      0.00000
    116       0.1111      0.00000
    117       0.2408      0.00000
    118       0.3777      0.00000
    119       0.6487      0.00000
    120       0.8357      0.00000
    121       0.9366      0.00000
    122       1.0616      0.00000
    123       1.2301      0.00000
    124       1.4457      0.00000
    125       1.5438      0.00000
    126       1.7663      0.00000
    127       1.7926      0.00000
    128       1.8743      0.00000
    129       1.9623      0.00000
    130       2.0451      0.00000
    131       2.1698      0.00000
    132       2.1964      0.00000
    133       2.4058      0.00000
    134       2.4705      0.00000
    135       2.5377      0.00000
    136       2.6042      0.00000
    137       2.6401      0.00000
    138       2.6921      0.00000
    139       2.7720      0.00000
    140       2.8280      0.00000
    141       2.9431      0.00000
    142       3.0774      0.00000
    143       3.1959      0.00000
    144       3.2172      0.00000
    145       3.2620      0.00000
    146       3.3227      0.00000
    147       3.3256      0.00000
    148       3.4626      0.00000
    149       3.4928      0.00000
    150       3.6976      0.00000
    151       3.7067      0.00000
    152       3.7254      0.00000
    153       3.8543      0.00000
    154       3.9138      0.00000
    155       3.9391      0.00000
    156       3.9788      0.00000
    157       4.0175      0.00000
    158       4.0326      0.00000
    159       4.0453      0.00000
    160       4.0691      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2118      1.00000
      2     -22.1188      1.00000
      3     -21.9581      1.00000
      4     -21.4056      1.00000
      5     -21.0510      1.00000
      6     -21.0150      1.00000
      7     -20.5018      1.00000
      8     -20.4624      1.00000
      9     -20.2960      1.00000
     10     -20.2767      1.00000
     11     -19.9586      1.00000
     12     -19.8929      1.00000
     13     -18.8834      1.00000
     14     -18.8147      1.00000
     15     -18.3537      1.00000
     16     -18.3075      1.00000
     17     -18.1539      1.00000
     18     -18.1367      1.00000
     19     -17.8275      1.00000
     20     -17.7899      1.00000
     21     -17.2524      1.00000
     22     -17.2424      1.00000
     23     -17.1654      1.00000
     24     -17.1336      1.00000
     25     -16.1108      1.00000
     26     -15.8864      1.00000
     27     -15.8710      1.00000
     28     -15.8348      1.00000
     29     -15.2370      1.00000
     30     -14.5558      1.00000
     31     -14.5279      1.00000
     32     -14.2807      1.00000
     33     -13.9643      1.00000
     34     -13.9568      1.00000
     35     -13.8207      1.00000
     36     -13.8049      1.00000
     37     -13.6152      1.00000
     38     -13.5714      1.00000
     39     -13.3709      1.00000
     40     -12.6353      1.00000
     41     -12.1815      1.00000
     42     -12.1334      1.00000
     43     -12.0729      1.00000
     44     -12.0206      1.00000
     45     -11.6699      1.00000
     46     -11.6564      1.00000
     47     -11.1393      1.00000
     48     -11.1188      1.00000
     49     -10.7953      1.00000
     50     -10.7317      1.00000
     51     -10.5294      1.00000
     52     -10.2089      1.00000
     53     -10.2063      1.00000
     54     -10.1654      1.00000
     55     -10.0182      1.00000
     56     -10.0048      1.00000
     57      -9.9911      1.00000
     58      -9.8017      1.00000
     59      -9.7978      1.00000
     60      -9.7626      1.00000
     61      -9.7578      1.00000
     62      -9.4551      1.00000
     63      -9.4179      1.00000
     64      -9.0810      1.00000
     65      -9.0727      1.00000
     66      -9.0411      1.00000
     67      -8.9557      1.00000
     68      -8.8778      1.00000
     69      -8.7124      1.00000
     70      -8.7001      1.00000
     71      -8.5663      1.00000
     72      -8.5434      1.00000
     73      -8.4997      1.00000
     74      -8.4628      1.00000
     75      -8.4537      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0437      1.00000
     79      -7.9158      1.00000
     80      -7.8635      1.00000
     81      -7.6151      1.00000
     82      -7.5488      1.00000
     83      -7.4902      1.00000
     84      -7.2681      1.00000
     85      -6.9952      1.00000
     86      -6.9231      1.00000
     87      -6.8820      1.00000
     88      -6.5326      1.00000
     89      -6.4872      1.00000
     90      -6.4614      1.00000
     91      -6.4104      1.00000
     92      -5.9840      1.00000
     93      -5.8976      1.00000
     94      -5.7846      1.00000
     95      -5.7597      1.00000
     96      -5.4322      1.00000
     97      -5.3293      1.00000
     98      -5.2303      1.00000
     99      -5.2178      1.00000
    100      -5.1884      1.00000
    101      -4.6922      1.00000
    102      -4.4215      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5291      1.00000
    106      -3.2741      1.00000
    107      -2.5311      0.00000
    108      -1.4579      0.00000
    109      -1.2666      0.00000
    110      -1.2028      0.00000
    111      -1.1724      0.00000
    112      -0.7195      0.00000
    113      -0.5033      0.00000
    114      -0.4118      0.00000
    115      -0.3394      0.00000
    116      -0.1458      0.00000
    117      -0.0026      0.00000
    118       0.1938      0.00000
    119       0.5612      0.00000
    120       0.6126      0.00000
    121       0.7939      0.00000
    122       0.9039      0.00000
    123       1.1294      0.00000
    124       1.4886      0.00000
    125       1.6315      0.00000
    126       1.8445      0.00000
    127       1.9226      0.00000
    128       2.1009      0.00000
    129       2.1106      0.00000
    130       2.1629      0.00000
    131       2.1929      0.00000
    132       2.2798      0.00000
    133       2.3449      0.00000
    134       2.4737      0.00000
    135       2.5829      0.00000
    136       2.6542      0.00000
    137       2.8506      0.00000
    138       2.8710      0.00000
    139       2.8910      0.00000
    140       3.0100      0.00000
    141       3.0180      0.00000
    142       3.1361      0.00000
    143       3.1892      0.00000
    144       3.2303      0.00000
    145       3.2709      0.00000
    146       3.2812      0.00000
    147       3.2987      0.00000
    148       3.3441      0.00000
    149       3.4192      0.00000
    150       3.4419      0.00000
    151       3.5481      0.00000
    152       3.6210      0.00000
    153       3.7171      0.00000
    154       3.7373      0.00000
    155       3.7675      0.00000
    156       3.8920      0.00000
    157       3.9361      0.00000
    158       4.0004      0.00000
    159       4.1232      0.00000
    160       4.2165      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3186      1.00000
      2     -21.9656      1.00000
      3     -21.8934      1.00000
      4     -21.3858      1.00000
      5     -21.3494      1.00000
      6     -20.8406      1.00000
      7     -20.7742      1.00000
      8     -20.6261      1.00000
      9     -20.0906      1.00000
     10     -20.0618      1.00000
     11     -19.7194      1.00000
     12     -19.6906      1.00000
     13     -19.0107      1.00000
     14     -18.9796      1.00000
     15     -18.6506      1.00000
     16     -18.6178      1.00000
     17     -18.4615      1.00000
     18     -17.6611      1.00000
     19     -17.6475      1.00000
     20     -17.6113      1.00000
     21     -17.5787      1.00000
     22     -17.1379      1.00000
     23     -17.0979      1.00000
     24     -16.9662      1.00000
     25     -16.0086      1.00000
     26     -15.9238      1.00000
     27     -15.5997      1.00000
     28     -15.5761      1.00000
     29     -15.2802      1.00000
     30     -14.8773      1.00000
     31     -14.8303      1.00000
     32     -14.5752      1.00000
     33     -14.5374      1.00000
     34     -14.1642      1.00000
     35     -14.1602      1.00000
     36     -13.1625      1.00000
     37     -13.0968      1.00000
     38     -13.0237      1.00000
     39     -13.0188      1.00000
     40     -12.7183      1.00000
     41     -12.6951      1.00000
     42     -12.3413      1.00000
     43     -12.3141      1.00000
     44     -11.6317      1.00000
     45     -11.6225      1.00000
     46     -11.5705      1.00000
     47     -10.9410      1.00000
     48     -10.9232      1.00000
     49     -10.6694      1.00000
     50     -10.5900      1.00000
     51     -10.5735      1.00000
     52     -10.5009      1.00000
     53     -10.4896      1.00000
     54     -10.4393      1.00000
     55     -10.3567      1.00000
     56     -10.1044      1.00000
     57      -9.8984      1.00000
     58      -9.6091      1.00000
     59      -9.5519      1.00000
     60      -9.4548      1.00000
     61      -9.4179      1.00000
     62      -9.4098      1.00000
     63      -9.3798      1.00000
     64      -9.3726      1.00000
     65      -9.2680      1.00000
     66      -9.1650      1.00000
     67      -9.1411      1.00000
     68      -9.1157      1.00000
     69      -8.8661      1.00000
     70      -8.8601      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1930      1.00000
     75      -8.1705      1.00000
     76      -8.0761      1.00000
     77      -7.8579      1.00000
     78      -7.8370      1.00000
     79      -7.8241      1.00000
     80      -7.7104      1.00000
     81      -7.6960      1.00000
     82      -7.5977      1.00000
     83      -7.5301      1.00000
     84      -7.3506      1.00000
     85      -7.1680      1.00000
     86      -6.9050      1.00000
     87      -6.8957      1.00000
     88      -6.5927      1.00000
     89      -6.5515      1.00000
     90      -6.4061      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2007      1.00000
     94      -6.0041      1.00000
     95      -5.5319      1.00000
     96      -5.4653      1.00000
     97      -5.3142      1.00000
     98      -5.2096      1.00000
     99      -5.0470      1.00000
    100      -4.7235      1.00000
    101      -4.6716      1.00000
    102      -4.4239      1.00000
    103      -4.1947      1.00000
    104      -3.8428      1.00000
    105      -3.6344      1.00000
    106      -3.4162      1.00000
    107      -2.2924      0.00000
    108      -1.5092      0.00000
    109      -1.2699      0.00000
    110      -1.2622      0.00000
    111      -1.0342      0.00000
    112      -0.9778      0.00000
    113      -0.8680      0.00000
    114      -0.7997      0.00000
    115      -0.2616      0.00000
    116       0.2045      0.00000
    117       0.2397      0.00000
    118       0.3599      0.00000
    119       0.6881      0.00000
    120       0.8940      0.00000
    121       0.9237      0.00000
    122       1.0385      0.00000
    123       1.1643      0.00000
    124       1.5070      0.00000
    125       1.5534      0.00000
    126       1.7074      0.00000
    127       1.7783      0.00000
    128       1.8335      0.00000
    129       1.9640      0.00000
    130       1.9801      0.00000
    131       2.1877      0.00000
    132       2.2547      0.00000
    133       2.4093      0.00000
    134       2.4773      0.00000
    135       2.5372      0.00000
    136       2.6000      0.00000
    137       2.6188      0.00000
    138       2.6952      0.00000
    139       2.7524      0.00000
    140       2.8569      0.00000
    141       3.0317      0.00000
    142       3.0755      0.00000
    143       3.1886      0.00000
    144       3.2491      0.00000
    145       3.2653      0.00000
    146       3.2969      0.00000
    147       3.3487      0.00000
    148       3.4471      0.00000
    149       3.5145      0.00000
    150       3.6886      0.00000
    151       3.7165      0.00000
    152       3.7456      0.00000
    153       3.8280      0.00000
    154       3.8902      0.00000
    155       3.9264      0.00000
    156       3.9759      0.00000
    157       4.0063      0.00000
    158       4.0448      0.00000
    159       4.0511      0.00000
    160       4.0862      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3908      1.00000
      2     -21.8320      1.00000
      3     -21.6426      1.00000
      4     -21.6076      1.00000
      5     -21.2799      1.00000
      6     -21.2329      1.00000
      7     -21.0576      1.00000
      8     -20.1725      1.00000
      9     -20.1263      1.00000
     10     -19.6178      1.00000
     11     -19.5916      1.00000
     12     -19.4166      1.00000
     13     -19.0955      1.00000
     14     -19.0568      1.00000
     15     -19.0524      1.00000
     16     -19.0396      1.00000
     17     -18.3675      1.00000
     18     -18.3477      1.00000
     19     -18.0174      1.00000
     20     -17.0729      1.00000
     21     -17.0242      1.00000
     22     -16.9502      1.00000
     23     -16.9363      1.00000
     24     -16.4752      1.00000
     25     -16.4632      1.00000
     26     -15.6099      1.00000
     27     -15.6095      1.00000
     28     -15.2503      1.00000
     29     -15.2382      1.00000
     30     -15.1922      1.00000
     31     -15.1021      1.00000
     32     -15.0691      1.00000
     33     -14.6987      1.00000
     34     -14.6977      1.00000
     35     -13.7252      1.00000
     36     -13.7252      1.00000
     37     -13.2358      1.00000
     38     -12.6245      1.00000
     39     -12.5804      1.00000
     40     -12.4554      1.00000
     41     -12.4500      1.00000
     42     -12.1051      1.00000
     43     -12.1002      1.00000
     44     -11.7217      1.00000
     45     -11.6831      1.00000
     46     -11.2454      1.00000
     47     -11.2248      1.00000
     48     -11.0181      1.00000
     49     -11.0064      1.00000
     50     -10.9279      1.00000
     51     -10.8992      1.00000
     52     -10.6376      1.00000
     53     -10.1728      1.00000
     54     -10.1498      1.00000
     55     -10.0851      1.00000
     56      -9.9926      1.00000
     57      -9.6965      1.00000
     58      -9.6899      1.00000
     59      -9.6709      1.00000
     60      -9.5913      1.00000
     61      -9.5673      1.00000
     62      -9.5542      1.00000
     63      -9.3131      1.00000
     64      -9.3004      1.00000
     65      -9.2837      1.00000
     66      -9.2428      1.00000
     67      -9.1227      1.00000
     68      -9.1128      1.00000
     69      -9.1112      1.00000
     70      -8.9400      1.00000
     71      -8.8750      1.00000
     72      -8.6047      1.00000
     73      -8.5860      1.00000
     74      -8.2712      1.00000
     75      -8.1015      1.00000
     76      -7.8673      1.00000
     77      -7.8439      1.00000
     78      -7.7907      1.00000
     79      -7.7649      1.00000
     80      -7.7559      1.00000
     81      -7.4473      1.00000
     82      -7.3349      1.00000
     83      -7.3234      1.00000
     84      -7.2663      1.00000
     85      -7.1628      1.00000
     86      -7.0146      1.00000
     87      -6.9867      1.00000
     88      -6.7179      1.00000
     89      -6.6908      1.00000
     90      -6.6318      1.00000
     91      -6.5907      1.00000
     92      -6.1178      1.00000
     93      -6.0588      1.00000
     94      -6.0448      1.00000
     95      -6.0284      1.00000
     96      -5.7480      1.00000
     97      -4.9747      1.00000
     98      -4.8396      1.00000
     99      -4.7090      1.00000
    100      -4.6734      1.00000
    101      -4.4836      1.00000
    102      -4.3522      1.00000
    103      -4.1119      1.00000
    104      -4.0555      1.00000
    105      -3.7550      1.00000
    106      -3.4654      1.00000
    107      -1.9504      0.00000
    108      -1.7710      0.00000
    109      -1.4797      0.00000
    110      -1.3554      0.00000
    111      -1.3358      0.00000
    112      -1.2925      0.00000
    113      -0.6785      0.00000
    114      -0.4718      0.00000
    115      -0.2353      0.00000
    116       0.0516      0.00000
    117       0.5843      0.00000
    118       0.6926      0.00000
    119       0.7701      0.00000
    120       1.0224      0.00000
    121       1.0971      0.00000
    122       1.1757      0.00000
    123       1.2492      0.00000
    124       1.3324      0.00000
    125       1.4294      0.00000
    126       1.5921      0.00000
    127       1.7663      0.00000
    128       1.8412      0.00000
    129       1.8612      0.00000
    130       1.8861      0.00000
    131       2.0478      0.00000
    132       2.2142      0.00000
    133       2.2263      0.00000
    134       2.2797      0.00000
    135       2.4769      0.00000
    136       2.6119      0.00000
    137       2.6486      0.00000
    138       2.7442      0.00000
    139       2.7918      0.00000
    140       2.8361      0.00000
    141       2.8460      0.00000
    142       2.8819      0.00000
    143       2.9544      0.00000
    144       3.0760      0.00000
    145       3.3124      0.00000
    146       3.3566      0.00000
    147       3.4096      0.00000
    148       3.4218      0.00000
    149       3.4242      0.00000
    150       3.5965      0.00000
    151       3.6558      0.00000
    152       3.6705      0.00000
    153       3.7259      0.00000
    154       3.8917      0.00000
    155       3.9195      0.00000
    156       3.9555      0.00000
    157       4.1072      0.00000
    158       4.2026      0.00000
    159       4.2480      0.00000
    160       4.2800      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2109      1.00000
      2     -22.1202      1.00000
      3     -21.9578      1.00000
      4     -21.4057      1.00000
      5     -21.0471      1.00000
      6     -21.0188      1.00000
      7     -20.4970      1.00000
      8     -20.4671      1.00000
      9     -20.2872      1.00000
     10     -20.2852      1.00000
     11     -19.9575      1.00000
     12     -19.8944      1.00000
     13     -18.8840      1.00000
     14     -18.8165      1.00000
     15     -18.3384      1.00000
     16     -18.3194      1.00000
     17     -18.1497      1.00000
     18     -18.1423      1.00000
     19     -17.8164      1.00000
     20     -17.7984      1.00000
     21     -17.2585      1.00000
     22     -17.2390      1.00000
     23     -17.1607      1.00000
     24     -17.1359      1.00000
     25     -16.1174      1.00000
     26     -15.8810      1.00000
     27     -15.8700      1.00000
     28     -15.8408      1.00000
     29     -15.2312      1.00000
     30     -14.5512      1.00000
     31     -14.5328      1.00000
     32     -14.2759      1.00000
     33     -13.9754      1.00000
     34     -13.9518      1.00000
     35     -13.8252      1.00000
     36     -13.8029      1.00000
     37     -13.6043      1.00000
     38     -13.5790      1.00000
     39     -13.3711      1.00000
     40     -12.6395      1.00000
     41     -12.1689      1.00000
     42     -12.1426      1.00000
     43     -12.0683      1.00000
     44     -12.0215      1.00000
     45     -11.6654      1.00000
     46     -11.6607      1.00000
     47     -11.1367      1.00000
     48     -11.1256      1.00000
     49     -10.7903      1.00000
     50     -10.7342      1.00000
     51     -10.5361      1.00000
     52     -10.2088      1.00000
     53     -10.2027      1.00000
     54     -10.1711      1.00000
     55     -10.0232      1.00000
     56      -9.9948      1.00000
     57      -9.9906      1.00000
     58      -9.8054      1.00000
     59      -9.7964      1.00000
     60      -9.7647      1.00000
     61      -9.7568      1.00000
     62      -9.4542      1.00000
     63      -9.4178      1.00000
     64      -9.0851      1.00000
     65      -9.0462      1.00000
     66      -9.0259      1.00000
     67      -8.9696      1.00000
     68      -8.8981      1.00000
     69      -8.7085      1.00000
     70      -8.6992      1.00000
     71      -8.5598      1.00000
     72      -8.5490      1.00000
     73      -8.4781      1.00000
     74      -8.4597      1.00000
     75      -8.4570      1.00000
     76      -8.3087      1.00000
     77      -8.0954      1.00000
     78      -8.0896      1.00000
     79      -7.9268      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5366      1.00000
     83      -7.4438      1.00000
     84      -7.3142      1.00000
     85      -6.9941      1.00000
     86      -6.9193      1.00000
     87      -6.8824      1.00000
     88      -6.5274      1.00000
     89      -6.5148      1.00000
     90      -6.4807      1.00000
     91      -6.4207      1.00000
     92      -5.9272      1.00000
     93      -5.9053      1.00000
     94      -5.7889      1.00000
     95      -5.7750      1.00000
     96      -5.3694      1.00000
     97      -5.3632      1.00000
     98      -5.2204      1.00000
     99      -5.2154      1.00000
    100      -5.1988      1.00000
    101      -4.7203      1.00000
    102      -4.4424      1.00000
    103      -4.1909      1.00000
    104      -3.8204      1.00000
    105      -3.5654      1.00000
    106      -3.2214      1.00000
    107      -2.5624      0.00000
    108      -1.4630      0.00000
    109      -1.2673      0.00000
    110      -1.1850      0.00000
    111      -1.1836      0.00000
    112      -0.6446      0.00000
    113      -0.5513      0.00000
    114      -0.4146      0.00000
    115      -0.3472      0.00000
    116      -0.0776      0.00000
    117      -0.0632      0.00000
    118       0.1259      0.00000
    119       0.5933      0.00000
    120       0.6263      0.00000
    121       0.8523      0.00000
    122       0.9823      0.00000
    123       1.0012      0.00000
    124       1.4917      0.00000
    125       1.6804      0.00000
    126       1.7558      0.00000
    127       1.8542      0.00000
    128       2.1061      0.00000
    129       2.1567      0.00000
    130       2.1927      0.00000
    131       2.2102      0.00000
    132       2.2591      0.00000
    133       2.3586      0.00000
    134       2.4910      0.00000
    135       2.5202      0.00000
    136       2.6597      0.00000
    137       2.8526      0.00000
    138       2.8586      0.00000
    139       2.9501      0.00000
    140       2.9965      0.00000
    141       3.0321      0.00000
    142       3.1318      0.00000
    143       3.2032      0.00000
    144       3.2421      0.00000
    145       3.2458      0.00000
    146       3.2782      0.00000
    147       3.3011      0.00000
    148       3.3520      0.00000
    149       3.4166      0.00000
    150       3.5450      0.00000
    151       3.5622      0.00000
    152       3.6424      0.00000
    153       3.6611      0.00000
    154       3.7125      0.00000
    155       3.7339      0.00000
    156       3.8938      0.00000
    157       3.9570      0.00000
    158       4.0310      0.00000
    159       4.0685      0.00000
    160       4.1771      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2844      1.00000
      2     -22.0798      1.00000
      3     -21.7214      1.00000
      4     -21.6822      1.00000
      5     -20.9838      1.00000
      6     -20.9361      1.00000
      7     -20.6124      1.00000
      8     -20.5802      1.00000
      9     -20.5666      1.00000
     10     -20.0332      1.00000
     11     -19.5142      1.00000
     12     -19.4841      1.00000
     13     -19.3122      1.00000
     14     -19.2991      1.00000
     15     -18.4504      1.00000
     16     -18.4073      1.00000
     17     -17.9282      1.00000
     18     -17.9078      1.00000
     19     -17.7667      1.00000
     20     -17.7217      1.00000
     21     -17.4422      1.00000
     22     -17.4237      1.00000
     23     -17.3388      1.00000
     24     -16.4713      1.00000
     25     -16.4610      1.00000
     26     -15.9713      1.00000
     27     -15.4114      1.00000
     28     -15.4104      1.00000
     29     -15.0963      1.00000
     30     -15.0933      1.00000
     31     -14.8534      1.00000
     32     -14.8411      1.00000
     33     -14.2983      1.00000
     34     -14.2546      1.00000
     35     -13.4447      1.00000
     36     -13.4009      1.00000
     37     -13.1753      1.00000
     38     -13.1739      1.00000
     39     -12.9863      1.00000
     40     -12.9774      1.00000
     41     -12.6108      1.00000
     42     -12.6088      1.00000
     43     -12.1973      1.00000
     44     -11.5796      1.00000
     45     -11.5385      1.00000
     46     -11.3135      1.00000
     47     -11.2832      1.00000
     48     -11.1424      1.00000
     49     -10.6925      1.00000
     50     -10.6631      1.00000
     51     -10.5474      1.00000
     52     -10.3227      1.00000
     53     -10.3150      1.00000
     54     -10.1762      1.00000
     55     -10.1213      1.00000
     56     -10.1080      1.00000
     57      -9.8119      1.00000
     58      -9.7529      1.00000
     59      -9.7524      1.00000
     60      -9.7026      1.00000
     61      -9.6986      1.00000
     62      -9.6473      1.00000
     63      -9.3529      1.00000
     64      -9.3515      1.00000
     65      -9.3177      1.00000
     66      -9.0282      1.00000
     67      -8.9617      1.00000
     68      -8.9579      1.00000
     69      -8.7758      1.00000
     70      -8.5914      1.00000
     71      -8.5885      1.00000
     72      -8.4240      1.00000
     73      -8.3499      1.00000
     74      -8.3224      1.00000
     75      -8.3022      1.00000
     76      -8.2656      1.00000
     77      -8.2540      1.00000
     78      -8.2392      1.00000
     79      -7.9216      1.00000
     80      -7.7341      1.00000
     81      -7.3798      1.00000
     82      -7.3502      1.00000
     83      -7.3237      1.00000
     84      -7.2175      1.00000
     85      -7.1604      1.00000
     86      -7.0654      1.00000
     87      -6.9609      1.00000
     88      -6.9054      1.00000
     89      -6.6131      1.00000
     90      -6.5568      1.00000
     91      -6.2707      1.00000
     92      -5.9967      1.00000
     93      -5.9595      1.00000
     94      -5.6753      1.00000
     95      -5.6487      1.00000
     96      -5.3875      1.00000
     97      -5.3151      1.00000
     98      -5.2940      1.00000
     99      -5.2120      1.00000
    100      -5.2004      1.00000
    101      -4.5115      1.00000
    102      -4.3387      1.00000
    103      -3.9965      1.00000
    104      -3.8859      1.00000
    105      -3.7929      1.00000
    106      -3.4433      1.00000
    107      -2.0343      0.00000
    108      -1.8633      0.00000
    109      -1.2175      0.00000
    110      -1.1841      0.00000
    111      -1.0357      0.00000
    112      -0.7721      0.00000
    113      -0.6772      0.00000
    114      -0.6598      0.00000
    115      -0.6095      0.00000
    116      -0.1017      0.00000
    117       0.2227      0.00000
    118       0.2396      0.00000
    119       0.7664      0.00000
    120       0.9812      0.00000
    121       1.0735      0.00000
    122       1.2408      0.00000
    123       1.2506      0.00000
    124       1.3386      0.00000
    125       1.5761      0.00000
    126       1.5851      0.00000
    127       1.6951      0.00000
    128       1.7959      0.00000
    129       1.9412      0.00000
    130       1.9531      0.00000
    131       2.0946      0.00000
    132       2.3028      0.00000
    133       2.3426      0.00000
    134       2.4116      0.00000
    135       2.5371      0.00000
    136       2.6257      0.00000
    137       2.7772      0.00000
    138       2.8376      0.00000
    139       2.8392      0.00000
    140       2.8630      0.00000
    141       3.0414      0.00000
    142       3.0957      0.00000
    143       3.1456      0.00000
    144       3.2160      0.00000
    145       3.3731      0.00000
    146       3.4115      0.00000
    147       3.4983      0.00000
    148       3.5417      0.00000
    149       3.5895      0.00000
    150       3.6072      0.00000
    151       3.6419      0.00000
    152       3.7323      0.00000
    153       3.7405      0.00000
    154       3.7778      0.00000
    155       3.8266      0.00000
    156       3.8772      0.00000
    157       4.0205      0.00000
    158       4.0816      0.00000
    159       4.1630      0.00000
    160       4.2044      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0417   -7.3901    4.1982   -1.2758   -0.2386   17.5938    0.1472   -0.5324    0.6337   -0.4648
x    -3.0926   -0.0374   -0.0631    0.0616   -0.0091   -2.9773   -0.0109   -0.0070    0.0049    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0417    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0939   -0.0087    0.0374    0.0377
y    -0.0458   -3.2478   -0.5380   -0.1636   -1.1811   -0.6054
z   204.0417    1.1261   -0.2805    0.0408    0.0089    0.0616    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0777    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1657
z    -0.2831    0.1873   -0.0390    0.0470   -0.1050    0.0013
 total charge-density along one line
x   212.0000  -10.2204    6.1462   -2.0858   -0.4744   19.5110   -0.9960    0.4742   -0.0449   -0.1261
x    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2204    6.1462   -2.0858   -0.4744   19.5110   -0.9960    0.4742   -0.0449   -0.1261
y    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4924  189.2921 -170.3682  153.6518 -139.4390  125.4355 -110.1219   93.9750  -78.3608
z    64.1513  -51.4988   40.4336  -31.2282   24.1320  -18.9495   15.0361  -11.7228    8.7180   -6.1231
z     4.1327   -2.7609    1.8234   -1.1126    0.5411   -0.1281   -0.1103    0.2271   -0.3089    0.3999
z    -0.4766    0.4932   -0.4398    0.3547   -0.2859    0.2512   -0.2335    0.2088   -0.1709    0.1317
z    -0.1037    0.0880   -0.0768    0.0636   -0.0490    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0074    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.030   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.585  -0.238   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.368  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.263   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.261   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.649
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.781   0.000   2.640
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.783   0.000   2.647
 28        0.864   1.785   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.785   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.646
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.860   1.781   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.649
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.870  89.435   8.029 142.334
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time   89.85: CPU time   45.39
    FORLOC:  VPU time    1.09: CPU time    1.09
    FORNL :  VPU time  362.77: CPU time  181.72
    STRESS:  VPU time 1261.01: CPU time  634.09
    FORCOR:  VPU time    8.64: CPU time    8.64
    FORHAR:  VPU time    2.28: CPU time    2.28
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force =-0.1212560E-05[-0.125E-05,-0.118E-05]  d Energy = 0.2972516E-05-0.419E-05
 d Force =-0.6307344E-01[-0.631E-01,-0.631E-01]  d Ewald  = 0.5601783E+00-0.623E+00


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726415 eV

  energy  without entropy=     -471.726415  energy(sigma->0) =     -471.726415
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40850.62  40805.10 -47549.45    -39.43      0.00      0.00
  Hartree  40274.58  40255.48 -39533.33    -16.53      0.00      0.00
  E(xc)     -779.46   -779.75   -807.40     -0.25      0.00      0.00
  Local   -83409.17 -83353.58  84397.50     48.14      0.00      0.00
  n-local   -216.85   -215.73   -203.41      0.70      0.00      0.00
  augment     20.05     22.04     17.81      1.73      0.00      0.00
  Kinetic   3162.58   3176.30   3584.09      3.53      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.02      0.06     -0.25      0.04      0.00      0.00
  in kB        0.01      0.04     -0.15      0.02      0.00      0.00
  external pressure =       -0.03 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345106990  0.000670173  0.000000000     0.081001215  0.046760278  0.000000000
    -6.171979751 10.691507431  0.000000000    -0.000005077  0.093529249  0.000000000
     0.000000000  0.000000000 19.986537245     0.000000000  0.000000000  0.050033680

  length of vectors
    12.345107009 12.345106933 19.986537245     0.093529249  0.093529249  0.050033680


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.477E-05 -.490E-04 -.951E+03   0.448E-05 -.278E-04 0.960E+03   -.338E-20 0.180E-23 -.868E+01   0.684E-09 0.220E-09 -.170E-02
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   -.795E-04 0.452E-04 0.507E-04
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   0.795E-04 -.452E-04 0.507E-04
   -.206E+01 0.119E+01 0.163E+02   0.206E+01 -.119E+01 -.162E+02   -.330E-02 0.190E-02 -.242E-01   0.110E-03 -.666E-04 0.282E-04
   0.616E+01 0.684E+01 0.194E+02   -.616E+01 -.686E+01 -.193E+02   0.891E-03 0.214E-01 -.272E-01   -.140E-03 0.228E-03 0.929E-05
   0.112E+02 0.509E+01 0.162E+02   -.112E+02 -.510E+01 -.161E+02   0.203E-01 0.857E-02 -.479E-01   0.389E-04 -.104E-03 -.266E-04
   0.471E+01 -.883E+00 0.126E+02   -.473E+01 0.892E+00 -.126E+02   0.146E-01 -.732E-02 -.176E-01   -.503E-04 -.413E-05 -.752E-04
   -.308E+01 -.252E+01 0.126E+02   0.308E+01 0.252E+01 -.126E+02   -.168E-02 0.261E-02 -.130E-01   0.550E-04 -.522E-04 -.358E-05
   0.646E+00 0.393E+01 0.126E+02   -.647E+00 -.393E+01 -.126E+02   -.310E-02 0.148E-03 -.130E-01   0.672E-04 -.277E-04 -.685E-05
   0.242E+01 0.189E+02 0.240E+02   -.242E+01 -.190E+02 -.240E+02   -.237E-02 0.103E+00 -.486E-01   -.103E-03 -.278E-03 -.354E-04
   0.227E+02 0.214E+02 0.423E+02   -.227E+02 -.216E+02 -.422E+02   0.770E-01 0.262E+00 -.608E-01   0.309E-03 -.122E-03 -.105E-03
   0.268E+02 -.343E+01 0.256E+02   -.271E+02 0.354E+01 -.256E+02   0.269E+00 -.109E+00 -.338E-01   -.180E-03 0.433E-04 -.718E-04
   0.913E+01 -.527E+01 0.136E+02   -.918E+01 0.530E+01 -.136E+02   0.421E-01 -.243E-01 -.120E-01   -.135E-03 0.717E-04 0.139E-04
   0.312E+01 -.364E+01 0.126E+02   -.314E+01 0.365E+01 -.126E+02   0.136E-01 -.899E-02 -.176E-01   -.238E-04 0.414E-04 -.828E-04
   -.593E+01 0.136E+02 0.161E+02   0.593E+01 -.137E+02 -.161E+02   -.113E-02 0.715E-01 -.520E-01   0.380E-04 0.111E-03 -.507E-04
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.314E-01 0.613E+00 0.294E+00   -.366E-04 0.989E-05 -.206E-03
   0.236E+02 -.136E+02 0.940E+02   -.243E+02 0.140E+02 -.961E+02   0.636E+00 -.367E+00 0.205E+01   -.682E-04 0.367E-04 -.268E-03
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.229E+00 -.178E+00 -.338E-01   -.130E-03 0.126E-03 -.762E-04
   0.119E+01 -.122E+02 0.162E+02   -.119E+01 0.123E+02 -.161E+02   0.274E-02 -.219E-01 -.479E-01   0.113E-03 0.172E-04 -.315E-04
   -.414E+01 0.192E+01 0.116E+02   0.414E+01 -.193E+01 -.116E+02   -.231E-03 0.989E-02 -.439E-01   0.109E-03 -.336E-04 -.261E-04
   -.193E+02 0.111E+02 0.217E+02   0.193E+02 -.112E+02 -.217E+02   -.504E-01 0.291E-01 -.433E-01   -.680E-04 0.430E-04 -.332E-06
   -.373E+02 -.785E+01 0.478E+02   0.378E+02 0.813E+01 -.481E+02   -.546E+00 -.279E+00 0.294E+00   -.235E-04 0.260E-04 -.203E-03
   -.718E+01 -.303E+02 0.423E+02   0.736E+01 0.305E+02 -.422E+02   -.189E+00 -.198E+00 -.608E-01   0.263E-03 -.211E-03 -.107E-03
   -.285E+01 -.876E+01 0.194E+02   0.287E+01 0.877E+01 -.193E+02   -.181E-01 -.115E-01 -.272E-01   -.265E-03 0.552E-05 0.863E-05
   0.139E+01 -.802E+00 0.134E+02   -.139E+01 0.804E+00 -.134E+02   0.233E-04 -.135E-04 -.179E-01   0.960E-04 -.533E-04 0.188E-04
   -.373E+01 0.262E+01 0.116E+02   0.374E+01 -.262E+01 -.116E+02   -.868E-02 -.475E-02 -.439E-01   0.856E-04 -.730E-04 -.218E-04
   -.148E+02 -.169E+01 0.161E+02   0.148E+02 0.172E+01 -.161E+02   -.625E-01 -.348E-01 -.520E-01   -.756E-04 -.901E-04 -.438E-04
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.907E-01 -.496E-01 -.486E-01   0.191E-03 0.223E-03 -.328E-04
   0.285E+01 0.876E+01 0.194E+02   -.287E+01 -.877E+01 -.193E+02   0.181E-01 0.115E-01 -.272E-01   0.265E-03 -.552E-05 0.862E-05
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.907E-01 0.496E-01 -.486E-01   -.191E-03 -.223E-03 -.328E-04
   0.148E+02 0.169E+01 0.161E+02   -.148E+02 -.173E+01 -.161E+02   0.625E-01 0.348E-01 -.520E-01   0.756E-04 0.901E-04 -.438E-04
   0.373E+01 -.262E+01 0.116E+02   -.374E+01 0.262E+01 -.116E+02   0.868E-02 0.475E-02 -.439E-01   -.856E-04 0.731E-04 -.218E-04
   -.139E+01 0.802E+00 0.134E+02   0.139E+01 -.804E+00 -.134E+02   -.233E-04 0.135E-04 -.179E-01   -.960E-04 0.533E-04 0.188E-04
   -.119E+01 0.122E+02 0.162E+02   0.119E+01 -.123E+02 -.161E+02   -.274E-02 0.219E-01 -.479E-01   -.113E-03 -.172E-04 -.315E-04
   0.718E+01 0.303E+02 0.423E+02   -.736E+01 -.305E+02 -.422E+02   0.189E+00 0.198E+00 -.608E-01   -.263E-03 0.211E-03 -.107E-03
   0.373E+02 0.785E+01 0.478E+02   -.378E+02 -.813E+01 -.481E+02   0.546E+00 0.279E+00 0.294E+00   0.235E-04 -.260E-04 -.203E-03
   0.193E+02 -.111E+02 0.217E+02   -.193E+02 0.112E+02 -.217E+02   0.504E-01 -.291E-01 -.433E-01   0.680E-04 -.430E-04 -.331E-06
   0.414E+01 -.192E+01 0.116E+02   -.414E+01 0.193E+01 -.116E+02   0.231E-03 -.989E-02 -.439E-01   -.109E-03 0.336E-04 -.261E-04
   -.312E+01 0.364E+01 0.126E+02   0.314E+01 -.365E+01 -.126E+02   -.136E-01 0.899E-02 -.176E-01   0.238E-04 -.414E-04 -.828E-04
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.229E+00 0.178E+00 -.338E-01   0.130E-03 -.126E-03 -.762E-04
   -.236E+02 0.136E+02 0.940E+02   0.243E+02 -.140E+02 -.961E+02   -.636E+00 0.367E+00 0.205E+01   0.682E-04 -.367E-04 -.268E-03
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.314E-01 -.613E+00 0.294E+00   0.366E-04 -.988E-05 -.206E-03
   0.593E+01 -.136E+02 0.161E+02   -.593E+01 0.137E+02 -.161E+02   0.113E-02 -.715E-01 -.520E-01   -.380E-04 -.111E-03 -.507E-04
   -.646E+00 -.393E+01 0.126E+02   0.647E+00 0.393E+01 -.126E+02   0.310E-02 -.148E-03 -.130E-01   -.672E-04 0.277E-04 -.685E-05
   -.913E+01 0.527E+01 0.136E+02   0.918E+01 -.530E+01 -.136E+02   -.421E-01 0.243E-01 -.120E-01   0.135E-03 -.717E-04 0.139E-04
   -.268E+02 0.343E+01 0.256E+02   0.271E+02 -.354E+01 -.256E+02   -.269E+00 0.109E+00 -.338E-01   0.180E-03 -.433E-04 -.718E-04
   -.227E+02 -.214E+02 0.423E+02   0.227E+02 0.216E+02 -.422E+02   -.770E-01 -.262E+00 -.608E-01   -.309E-03 0.122E-03 -.105E-03
   -.242E+01 -.189E+02 0.240E+02   0.242E+01 0.190E+02 -.240E+02   0.237E-02 -.103E+00 -.486E-01   0.103E-03 0.278E-03 -.354E-04
   0.206E+01 -.119E+01 0.163E+02   -.206E+01 0.119E+01 -.162E+02   0.330E-02 -.190E-02 -.242E-01   -.110E-03 0.666E-04 0.282E-04
   0.308E+01 0.252E+01 0.126E+02   -.308E+01 -.252E+01 -.126E+02   0.168E-02 -.261E-02 -.130E-01   -.550E-04 0.522E-04 -.358E-05
   -.471E+01 0.883E+00 0.126E+02   0.473E+01 -.892E+00 -.126E+02   -.146E-01 0.732E-02 -.176E-01   0.503E-04 0.413E-05 -.752E-04
   -.112E+02 -.509E+01 0.162E+02   0.112E+02 0.510E+01 -.161E+02   -.203E-01 -.857E-02 -.479E-01   -.389E-04 0.104E-03 -.266E-04
   -.616E+01 -.684E+01 0.194E+02   0.616E+01 0.686E+01 -.193E+02   -.891E-03 -.214E-01 -.272E-01   0.140E-03 -.228E-03 0.929E-05
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.289E-03 0.101E+02   -.311E-13 -.155E-12 0.522E-12   0.134E-15 0.416E-16 -.100E+02   0.725E-08 -.448E-08 -.439E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85209      6.05881     12.26485         0.000000      0.000000      0.023140
      1.07496      6.50749     13.52434         0.001514     -0.000874      0.009001
      2.62922      5.61014     13.52434        -0.001514      0.000874      0.009001
      0.00015     -0.00009      9.91089        -0.002417      0.001396      0.000164
     -1.23474      2.13682      9.90955        -0.000323      0.001444      0.000065
     -2.46994      4.27633      9.92953        -0.002691      0.002474     -0.000417
     -3.70363      6.41498      9.93723        -0.002127      0.001535     -0.000992
     -4.93734      8.55318      9.92781        -0.004556      0.002098     -0.000526
      2.46916     -0.00006      9.92781        -0.004095      0.002896     -0.000526
      1.23392      2.13661      9.91908        -0.003505      0.001703     -0.001301
     -0.00264      4.27068      9.93158        -0.003982      0.003795     -0.002631
     -1.23833      6.41560      9.95369        -0.000130      0.001416     -0.001197
     -2.46891      8.55354      9.93912        -0.001234      0.000712      0.000690
      4.93775      0.00061      9.93723        -0.002393      0.001075     -0.000992
      3.70408      2.13668      9.94054        -0.001606     -0.000576     -0.001358
      2.46984      4.26839      9.96813        -0.003592      0.001058     -0.002664
      1.22908      6.41851      9.97437        -0.004821      0.002783      0.001374
     -0.00210      8.55680      9.95369        -0.001291     -0.000596     -0.001197
      7.40673      0.00153      9.92953        -0.003488      0.001093     -0.000417
      6.17242      2.13875      9.93586        -0.003068      0.001757     -0.000561
      4.93888      4.27665      9.94859         0.000722     -0.000417      0.000014
      3.71151      6.41904      9.96813        -0.002712      0.002582     -0.002664
      2.47329      8.55912      9.93158        -0.005277      0.001551     -0.002631
      9.87719      0.00157      9.90955        -0.001412     -0.000442      0.000065
      8.64158      2.13890      9.92074        -0.003389      0.001957      0.000350
      7.40713      4.27733      9.93586        -0.003055      0.001779     -0.000561
      6.17475      6.41601      9.94054        -0.000304      0.001678     -0.001358
      4.93973      8.55527      9.91908        -0.003227      0.002185     -0.001301
     -0.00103      1.42454      9.90955         0.001412      0.000442      0.000065
     -1.23555      3.56235      9.91908         0.003227     -0.002185     -0.001301
     -2.47057      5.70161      9.94054         0.000304     -0.001678     -0.001358
     -3.70295      7.84029      9.93586         0.003055     -0.001779     -0.000561
     -4.93740      9.97872      9.92074         0.003389     -0.001957      0.000350
      2.46943      1.42458      9.92953         0.003488     -0.001093     -0.000417
      1.23090      3.55850      9.93158         0.005277     -0.001551     -0.002631
     -0.00733      5.69858      9.96813         0.002712     -0.002582     -0.002664
     -1.23470      7.84097      9.94859        -0.000722      0.000417      0.000014
     -2.46824      9.97887      9.93586         0.003068     -0.001757     -0.000561
      4.93841      1.42550      9.93723         0.002393     -0.001075     -0.000992
      3.70629      3.56082      9.95369         0.001291      0.000596     -0.001197
      2.47510      5.69912      9.97437         0.004821     -0.002783      0.001374
      1.23435      7.84923      9.96813         0.003592     -0.001058     -0.002664
      0.00010      9.98094      9.94054         0.001606      0.000576     -0.001358
      7.40700      1.42618      9.92781         0.004095     -0.002896     -0.000526
      6.17309      3.56408      9.93912         0.001234     -0.000712      0.000690
      4.94251      5.70203      9.95369         0.000130     -0.001416     -0.001197
      3.70683      7.84694      9.93158         0.003982     -0.003795     -0.002631
      2.47027      9.98101      9.91908         0.003505     -0.001703     -0.001301
      9.87601      1.42620      9.91089         0.002417     -0.001396      0.000164
      8.64152      3.56444      9.92781         0.004556     -0.002098     -0.000526
      7.40781      5.70264      9.93723         0.002127     -0.001535     -0.000992
      6.17412      7.84130      9.92953         0.002691     -0.002474     -0.000417
      4.93892      9.98080      9.90955         0.000323     -0.001444      0.000065
 -----------------------------------------------------------------------------------
    total drift:                               -0.001801      0.000289      0.014825


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.95: CPU time    1.95
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.36
    ORTHCH:  VPU time  182.37: CPU time   91.41
     LOOP+:  VPU time 4258.52: CPU time 2177.83


----------------------------------------- Iteration   27(   1)  ---------------------------------------


    POTLOK:  VPU time    9.17: CPU time    9.03
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1360.08: CPU time  703.62
 BZINTS: Fermi energy: -3.185960;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.60: CPU time   57.53
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1483.40: CPU time  770.71

 eigenvalue-minimisations  :  3984
 total energy-change (2. order) :-0.4717264E+03  (-0.9913945E-06)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583618 magnetization    0.0000007

 Broyden mixing:
  rms(total) = 0.12534E-03    rms(broyden)= 0.12532E-03
  rms(prec ) = 0.13932E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34106.00396192
  -1/2 Hartree   DENC   =    -40996.51865017
  -V(xc)+E(xc)   XCENC  =       726.60660102
  PAW double counting   =      4094.30100508    -4132.64868359
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.91050520
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641733 eV

  energy without entropy =     -471.72641733  energy(sigma->0) =     -471.72641733


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   27(   2)  ---------------------------------------


    POTLOK:  VPU time    9.09: CPU time    9.09
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1383.94: CPU time  717.79
 BZINTS: Fermi energy: -3.185750;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1393.43: CPU time  727.26

 eigenvalue-minimisations  :  4104
 total energy-change (2. order) : 0.3763216E-06  (-0.3557581E-06)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583618 magnetization    0.0000007

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34106.00396192
  -1/2 Hartree   DENC   =    -40996.50575907
  -V(xc)+E(xc)   XCENC  =       726.60620800
  PAW double counting   =      4094.29308366    -4132.64080192
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.92296315
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641696 eV

  energy without entropy =     -471.72641696  energy(sigma->0) =     -471.72641696


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2179       2 -39.5363       3 -39.5363       4 -58.3137       5 -58.3177
       6 -58.3202       7 -58.3147       8 -58.3151       9 -58.3150      10 -58.3215
      11 -58.3877      12 -58.3516      13 -58.3230      14 -58.3147      15 -58.3246
      16 -58.5426      17 -58.7297      18 -58.3516      19 -58.3202      20 -58.3199
      21 -58.3578      22 -58.5426      23 -58.3877      24 -58.3177      25 -58.3229
      26 -58.3199      27 -58.3246      28 -58.3216      29 -58.3176      30 -58.3214
      31 -58.3245      32 -58.3198      33 -58.3228      34 -58.3201      35 -58.3876
      36 -58.5426      37 -58.3577      38 -58.3198      39 -58.3146      40 -58.3515
      41 -58.7296      42 -58.5426      43 -58.3245      44 -58.3150      45 -58.3229
      46 -58.3515      47 -58.3876      48 -58.3214      49 -58.3136      50 -58.3149
      51 -58.3146      52 -58.3201      53 -58.3176
 
 
 
 E-fermi :  -3.1858     XC(G=0):  -2.3436     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4275      1.00000
      2     -21.6043      1.00000
      3     -21.4826      1.00000
      4     -21.4735      1.00000
      5     -21.4419      1.00000
      6     -21.4411      1.00000
      7     -21.4310      1.00000
      8     -19.7084      1.00000
      9     -19.6535      1.00000
     10     -19.6302      1.00000
     11     -19.6192      1.00000
     12     -19.6139      1.00000
     13     -19.6129      1.00000
     14     -18.7905      1.00000
     15     -18.7554      1.00000
     16     -18.7356      1.00000
     17     -18.7261      1.00000
     18     -18.7190      1.00000
     19     -18.7136      1.00000
     20     -16.6353      1.00000
     21     -16.6095      1.00000
     22     -16.5851      1.00000
     23     -16.5817      1.00000
     24     -16.5547      1.00000
     25     -16.5530      1.00000
     26     -15.6153      1.00000
     27     -15.6026      1.00000
     28     -15.5993      1.00000
     29     -15.5652      1.00000
     30     -15.5635      1.00000
     31     -15.5626      1.00000
     32     -14.2603      1.00000
     33     -14.2510      1.00000
     34     -14.2410      1.00000
     35     -14.2360      1.00000
     36     -14.2228      1.00000
     37     -14.2199      1.00000
     38     -11.9059      1.00000
     39     -11.8790      1.00000
     40     -11.8678      1.00000
     41     -11.8657      1.00000
     42     -11.8450      1.00000
     43     -11.8448      1.00000
     44     -11.7715      1.00000
     45     -11.7688      1.00000
     46     -11.7361      1.00000
     47     -11.7294      1.00000
     48     -11.7252      1.00000
     49     -11.7227      1.00000
     50     -10.6766      1.00000
     51     -10.3889      1.00000
     52     -10.3839      1.00000
     53     -10.3770      1.00000
     54     -10.3692      1.00000
     55     -10.3559      1.00000
     56     -10.3538      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4059      1.00000
     60      -9.3629      1.00000
     61      -9.3623      1.00000
     62      -9.3545      1.00000
     63      -9.1425      1.00000
     64      -9.1218      1.00000
     65      -9.1212      1.00000
     66      -9.0848      1.00000
     67      -9.0719      1.00000
     68      -9.0712      1.00000
     69      -9.0711      1.00000
     70      -9.0641      1.00000
     71      -9.0641      1.00000
     72      -9.0384      1.00000
     73      -9.0288      1.00000
     74      -9.0256      1.00000
     75      -8.1301      1.00000
     76      -7.7457      1.00000
     77      -7.4686      1.00000
     78      -7.4666      1.00000
     79      -7.4537      1.00000
     80      -7.4341      1.00000
     81      -7.4246      1.00000
     82      -7.4065      1.00000
     83      -7.3130      1.00000
     84      -7.2712      1.00000
     85      -7.2575      1.00000
     86      -7.2490      1.00000
     87      -7.1507      1.00000
     88      -7.0494      1.00000
     89      -6.4463      1.00000
     90      -6.4161      1.00000
     91      -6.4004      1.00000
     92      -6.3637      1.00000
     93      -6.3530      1.00000
     94      -6.3407      1.00000
     95      -5.9584      1.00000
     96      -5.9580      1.00000
     97      -4.8063      1.00000
     98      -4.5443      1.00000
     99      -4.4814      1.00000
    100      -4.4743      1.00000
    101      -4.3822      1.00000
    102      -4.3816      1.00000
    103      -4.2678      1.00000
    104      -4.1872      1.00000
    105      -3.7392      1.00000
    106      -3.4775      1.00000
    107      -1.8618      0.00000
    108      -1.6705      0.00000
    109      -1.6240      0.00000
    110      -1.5912      0.00000
    111      -1.5758      0.00000
    112      -1.5748      0.00000
    113      -0.4288      0.00000
    114       0.1458      0.00000
    115       0.1922      0.00000
    116       0.2558      0.00000
    117       0.2676      0.00000
    118       0.2715      0.00000
    119       0.4771      0.00000
    120       0.5459      0.00000
    121       1.2457      0.00000
    122       1.2897      0.00000
    123       1.5321      0.00000
    124       1.7696      0.00000
    125       1.7725      0.00000
    126       1.7727      0.00000
    127       1.8071      0.00000
    128       1.8292      0.00000
    129       1.9588      0.00000
    130       1.9682      0.00000
    131       1.9746      0.00000
    132       1.9894      0.00000
    133       1.9965      0.00000
    134       2.0767      0.00000
    135       2.2464      0.00000
    136       2.3470      0.00000
    137       2.6039      0.00000
    138       2.6059      0.00000
    139       2.6316      0.00000
    140       2.7036      0.00000
    141       2.9335      0.00000
    142       3.0531      0.00000
    143       3.0716      0.00000
    144       3.1042      0.00000
    145       3.1065      0.00000
    146       3.1126      0.00000
    147       3.1146      0.00000
    148       3.2724      0.00000
    149       3.4534      0.00000
    150       3.5034      0.00000
    151       3.8237      0.00000
    152       3.9478      0.00000
    153       3.9526      0.00000
    154       3.9562      0.00000
    155       3.9567      0.00000
    156       3.9948      0.00000
    157       4.1884      0.00000
    158       4.2620      0.00000
    159       4.2782      0.00000
    160       4.2835      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8317      1.00000
      3     -21.6394      1.00000
      4     -21.6116      1.00000
      5     -21.2758      1.00000
      6     -21.2364      1.00000
      7     -21.0580      1.00000
      8     -20.1687      1.00000
      9     -20.1305      1.00000
     10     -19.6095      1.00000
     11     -19.5985      1.00000
     12     -19.4181      1.00000
     13     -19.0905      1.00000
     14     -19.0608      1.00000
     15     -19.0497      1.00000
     16     -19.0423      1.00000
     17     -18.3614      1.00000
     18     -18.3530      1.00000
     19     -18.0197      1.00000
     20     -17.0697      1.00000
     21     -17.0310      1.00000
     22     -16.9444      1.00000
     23     -16.9405      1.00000
     24     -16.4684      1.00000
     25     -16.4637      1.00000
     26     -15.6149      1.00000
     27     -15.6080      1.00000
     28     -15.2532      1.00000
     29     -15.2441      1.00000
     30     -15.1853      1.00000
     31     -15.0984      1.00000
     32     -15.0716      1.00000
     33     -14.6991      1.00000
     34     -14.6971      1.00000
     35     -13.7269      1.00000
     36     -13.7244      1.00000
     37     -13.2361      1.00000
     38     -12.6144      1.00000
     39     -12.5842      1.00000
     40     -12.4547      1.00000
     41     -12.4511      1.00000
     42     -12.1095      1.00000
     43     -12.1050      1.00000
     44     -11.7178      1.00000
     45     -11.6869      1.00000
     46     -11.2354      1.00000
     47     -11.2261      1.00000
     48     -11.0180      1.00000
     49     -11.0101      1.00000
     50     -10.9271      1.00000
     51     -10.9056      1.00000
     52     -10.6316      1.00000
     53     -10.1552      1.00000
     54     -10.1512      1.00000
     55     -10.0919      1.00000
     56      -9.9990      1.00000
     57      -9.7032      1.00000
     58      -9.6952      1.00000
     59      -9.6565      1.00000
     60      -9.5921      1.00000
     61      -9.5770      1.00000
     62      -9.5590      1.00000
     63      -9.3073      1.00000
     64      -9.3035      1.00000
     65      -9.2746      1.00000
     66      -9.2369      1.00000
     67      -9.1372      1.00000
     68      -9.1152      1.00000
     69      -9.1116      1.00000
     70      -8.9401      1.00000
     71      -8.8724      1.00000
     72      -8.6045      1.00000
     73      -8.5909      1.00000
     74      -8.2367      1.00000
     75      -8.1005      1.00000
     76      -7.9135      1.00000
     77      -7.8639      1.00000
     78      -7.7717      1.00000
     79      -7.7569      1.00000
     80      -7.6923      1.00000
     81      -7.5606      1.00000
     82      -7.3388      1.00000
     83      -7.3228      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0124      1.00000
     88      -6.7046      1.00000
     89      -6.6783      1.00000
     90      -6.6413      1.00000
     91      -6.5978      1.00000
     92      -6.1157      1.00000
     93      -6.0623      1.00000
     94      -6.0312      1.00000
     95      -6.0115      1.00000
     96      -5.7834      1.00000
     97      -4.9744      1.00000
     98      -4.8321      1.00000
     99      -4.7470      1.00000
    100      -4.6794      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1719      1.00000
    104      -4.1279      1.00000
    105      -3.7295      1.00000
    106      -3.4877      1.00000
    107      -1.8702      0.00000
    108      -1.8088      0.00000
    109      -1.5243      0.00000
    110      -1.3775      0.00000
    111      -1.3213      0.00000
    112      -1.2879      0.00000
    113      -0.7198      0.00000
    114      -0.3759      0.00000
    115      -0.2498      0.00000
    116       0.0369      0.00000
    117       0.5543      0.00000
    118       0.6982      0.00000
    119       0.7463      0.00000
    120       1.0478      0.00000
    121       1.1000      0.00000
    122       1.1489      0.00000
    123       1.2272      0.00000
    124       1.3760      0.00000
    125       1.5216      0.00000
    126       1.5786      0.00000
    127       1.7143      0.00000
    128       1.8181      0.00000
    129       1.8586      0.00000
    130       1.8815      0.00000
    131       2.0964      0.00000
    132       2.1837      0.00000
    133       2.2401      0.00000
    134       2.3036      0.00000
    135       2.5099      0.00000
    136       2.5841      0.00000
    137       2.6467      0.00000
    138       2.7768      0.00000
    139       2.7943      0.00000
    140       2.8262      0.00000
    141       2.8682      0.00000
    142       2.8976      0.00000
    143       2.9491      0.00000
    144       3.0751      0.00000
    145       3.1497      0.00000
    146       3.3184      0.00000
    147       3.3917      0.00000
    148       3.4370      0.00000
    149       3.4634      0.00000
    150       3.6137      0.00000
    151       3.6463      0.00000
    152       3.6681      0.00000
    153       3.7110      0.00000
    154       3.9059      0.00000
    155       3.9610      0.00000
    156       4.0149      0.00000
    157       4.0696      0.00000
    158       4.2320      0.00000
    159       4.2468      0.00000
    160       4.2769      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2848      1.00000
      2     -22.0792      1.00000
      3     -21.7178      1.00000
      4     -21.6860      1.00000
      5     -20.9805      1.00000
      6     -20.9399      1.00000
      7     -20.6129      1.00000
      8     -20.5762      1.00000
      9     -20.5700      1.00000
     10     -20.0336      1.00000
     11     -19.5043      1.00000
     12     -19.4926      1.00000
     13     -19.3077      1.00000
     14     -19.3025      1.00000
     15     -18.4484      1.00000
     16     -18.4118      1.00000
     17     -17.9230      1.00000
     18     -17.9136      1.00000
     19     -17.7622      1.00000
     20     -17.7265      1.00000
     21     -17.4365      1.00000
     22     -17.4291      1.00000
     23     -17.3414      1.00000
     24     -16.4634      1.00000
     25     -16.4622      1.00000
     26     -15.9677      1.00000
     27     -15.4150      1.00000
     28     -15.4095      1.00000
     29     -15.0972      1.00000
     30     -15.0938      1.00000
     31     -14.8554      1.00000
     32     -14.8478      1.00000
     33     -14.2907      1.00000
     34     -14.2579      1.00000
     35     -13.4370      1.00000
     36     -13.4044      1.00000
     37     -13.1778      1.00000
     38     -13.1745      1.00000
     39     -12.9825      1.00000
     40     -12.9776      1.00000
     41     -12.6133      1.00000
     42     -12.6102      1.00000
     43     -12.1980      1.00000
     44     -11.5770      1.00000
     45     -11.5433      1.00000
     46     -11.3111      1.00000
     47     -11.2883      1.00000
     48     -11.1422      1.00000
     49     -10.6767      1.00000
     50     -10.6605      1.00000
     51     -10.5536      1.00000
     52     -10.3236      1.00000
     53     -10.3180      1.00000
     54     -10.1699      1.00000
     55     -10.1155      1.00000
     56     -10.1129      1.00000
     57      -9.7987      1.00000
     58      -9.7650      1.00000
     59      -9.7523      1.00000
     60      -9.7003      1.00000
     61      -9.6971      1.00000
     62      -9.6626      1.00000
     63      -9.3544      1.00000
     64      -9.3517      1.00000
     65      -9.3158      1.00000
     66      -9.0414      1.00000
     67      -8.9622      1.00000
     68      -8.9498      1.00000
     69      -8.7999      1.00000
     70      -8.5951      1.00000
     71      -8.5580      1.00000
     72      -8.3987      1.00000
     73      -8.3652      1.00000
     74      -8.3246      1.00000
     75      -8.3071      1.00000
     76      -8.2589      1.00000
     77      -8.2573      1.00000
     78      -8.2365      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3864      1.00000
     83      -7.3494      1.00000
     84      -7.2308      1.00000
     85      -7.0967      1.00000
     86      -7.0390      1.00000
     87      -6.9341      1.00000
     88      -6.8483      1.00000
     89      -6.6126      1.00000
     90      -6.5586      1.00000
     91      -6.2697      1.00000
     92      -6.0439      1.00000
     93      -5.9517      1.00000
     94      -5.6628      1.00000
     95      -5.6227      1.00000
     96      -5.4632      1.00000
     97      -5.3200      1.00000
     98      -5.2789      1.00000
     99      -5.2139      1.00000
    100      -5.1939      1.00000
    101      -4.5084      1.00000
    102      -4.2076      1.00000
    103      -4.0592      1.00000
    104      -3.9891      1.00000
    105      -3.6943      1.00000
    106      -3.4979      1.00000
    107      -1.9462      0.00000
    108      -1.8962      0.00000
    109      -1.3389      0.00000
    110      -1.0848      0.00000
    111      -1.0581      0.00000
    112      -0.8002      0.00000
    113      -0.6775      0.00000
    114      -0.6467      0.00000
    115      -0.6071      0.00000
    116      -0.1080      0.00000
    117       0.2156      0.00000
    118       0.3292      0.00000
    119       0.6926      0.00000
    120       0.8863      0.00000
    121       1.1269      0.00000
    122       1.1991      0.00000
    123       1.3248      0.00000
    124       1.4186      0.00000
    125       1.5535      0.00000
    126       1.5760      0.00000
    127       1.6760      0.00000
    128       1.8076      0.00000
    129       1.8801      0.00000
    130       2.0527      0.00000
    131       2.1304      0.00000
    132       2.3311      0.00000
    133       2.3629      0.00000
    134       2.3925      0.00000
    135       2.5414      0.00000
    136       2.6290      0.00000
    137       2.7271      0.00000
    138       2.7666      0.00000
    139       2.8327      0.00000
    140       2.8779      0.00000
    141       3.0440      0.00000
    142       3.0533      0.00000
    143       3.1590      0.00000
    144       3.2617      0.00000
    145       3.3595      0.00000
    146       3.4139      0.00000
    147       3.4304      0.00000
    148       3.5637      0.00000
    149       3.5798      0.00000
    150       3.5957      0.00000
    151       3.6591      0.00000
    152       3.6738      0.00000
    153       3.7795      0.00000
    154       3.7997      0.00000
    155       3.8152      0.00000
    156       3.8961      0.00000
    157       3.9179      0.00000
    158       3.9971      0.00000
    159       4.2105      0.00000
    160       4.2271      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3188      1.00000
      2     -21.9641      1.00000
      3     -21.8949      1.00000
      4     -21.3821      1.00000
      5     -21.3529      1.00000
      6     -20.8408      1.00000
      7     -20.7755      1.00000
      8     -20.6252      1.00000
      9     -20.0787      1.00000
     10     -20.0730      1.00000
     11     -19.7178      1.00000
     12     -19.6933      1.00000
     13     -18.9974      1.00000
     14     -18.9915      1.00000
     15     -18.6415      1.00000
     16     -18.6256      1.00000
     17     -18.4629      1.00000
     18     -17.6759      1.00000
     19     -17.6255      1.00000
     20     -17.6227      1.00000
     21     -17.5809      1.00000
     22     -17.1272      1.00000
     23     -17.1057      1.00000
     24     -16.9626      1.00000
     25     -16.0022      1.00000
     26     -15.9304      1.00000
     27     -15.5864      1.00000
     28     -15.5861      1.00000
     29     -15.2875      1.00000
     30     -14.8647      1.00000
     31     -14.8374      1.00000
     32     -14.5794      1.00000
     33     -14.5375      1.00000
     34     -14.1693      1.00000
     35     -14.1557      1.00000
     36     -13.1483      1.00000
     37     -13.1011      1.00000
     38     -13.0300      1.00000
     39     -13.0199      1.00000
     40     -12.7094      1.00000
     41     -12.7052      1.00000
     42     -12.3422      1.00000
     43     -12.3109      1.00000
     44     -11.6364      1.00000
     45     -11.6228      1.00000
     46     -11.5726      1.00000
     47     -10.9500      1.00000
     48     -10.9169      1.00000
     49     -10.6328      1.00000
     50     -10.6247      1.00000
     51     -10.5478      1.00000
     52     -10.5001      1.00000
     53     -10.4998      1.00000
     54     -10.4397      1.00000
     55     -10.3606      1.00000
     56     -10.1000      1.00000
     57      -9.9042      1.00000
     58      -9.6086      1.00000
     59      -9.5563      1.00000
     60      -9.4529      1.00000
     61      -9.4125      1.00000
     62      -9.4056      1.00000
     63      -9.3774      1.00000
     64      -9.3771      1.00000
     65      -9.2879      1.00000
     66      -9.1690      1.00000
     67      -9.1434      1.00000
     68      -9.1151      1.00000
     69      -8.8651      1.00000
     70      -8.8575      1.00000
     71      -8.8157      1.00000
     72      -8.5974      1.00000
     73      -8.4805      1.00000
     74      -8.1990      1.00000
     75      -8.1636      1.00000
     76      -8.0092      1.00000
     77      -7.9639      1.00000
     78      -7.8505      1.00000
     79      -7.8404      1.00000
     80      -7.7043      1.00000
     81      -7.6969      1.00000
     82      -7.6224      1.00000
     83      -7.4490      1.00000
     84      -7.3009      1.00000
     85      -7.2532      1.00000
     86      -6.9064      1.00000
     87      -6.8927      1.00000
     88      -6.5889      1.00000
     89      -6.5514      1.00000
     90      -6.4061      1.00000
     91      -6.2536      1.00000
     92      -6.2329      1.00000
     93      -6.2055      1.00000
     94      -6.0232      1.00000
     95      -5.5501      1.00000
     96      -5.4890      1.00000
     97      -5.3504      1.00000
     98      -5.2197      1.00000
     99      -4.9795      1.00000
    100      -4.7326      1.00000
    101      -4.6780      1.00000
    102      -4.3875      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5463      1.00000
    106      -3.5099      1.00000
    107      -2.2562      0.00000
    108      -1.4565      0.00000
    109      -1.3712      0.00000
    110      -1.2417      0.00000
    111      -1.0978      0.00000
    112      -0.9449      0.00000
    113      -0.8636      0.00000
    114      -0.8031      0.00000
    115      -0.1393      0.00000
    116       0.1112      0.00000
    117       0.2408      0.00000
    118       0.3777      0.00000
    119       0.6500      0.00000
    120       0.8358      0.00000
    121       0.9366      0.00000
    122       1.0625      0.00000
    123       1.2315      0.00000
    124       1.4466      0.00000
    125       1.5463      0.00000
    126       1.7663      0.00000
    127       1.7930      0.00000
    128       1.8749      0.00000
    129       1.9649      0.00000
    130       2.0456      0.00000
    131       2.1721      0.00000
    132       2.1964      0.00000
    133       2.4076      0.00000
    134       2.4686      0.00000
    135       2.5367      0.00000
    136       2.6042      0.00000
    137       2.6399      0.00000
    138       2.6936      0.00000
    139       2.7720      0.00000
    140       2.8304      0.00000
    141       2.9453      0.00000
    142       3.0781      0.00000
    143       3.1980      0.00000
    144       3.2166      0.00000
    145       3.2622      0.00000
    146       3.3216      0.00000
    147       3.3265      0.00000
    148       3.4650      0.00000
    149       3.4954      0.00000
    150       3.6987      0.00000
    151       3.7090      0.00000
    152       3.7285      0.00000
    153       3.8557      0.00000
    154       3.9154      0.00000
    155       3.9399      0.00000
    156       3.9792      0.00000
    157       4.0171      0.00000
    158       4.0333      0.00000
    159       4.0464      0.00000
    160       4.0677      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2118      1.00000
      2     -22.1188      1.00000
      3     -21.9581      1.00000
      4     -21.4056      1.00000
      5     -21.0510      1.00000
      6     -21.0150      1.00000
      7     -20.5018      1.00000
      8     -20.4624      1.00000
      9     -20.2960      1.00000
     10     -20.2767      1.00000
     11     -19.9586      1.00000
     12     -19.8929      1.00000
     13     -18.8835      1.00000
     14     -18.8147      1.00000
     15     -18.3537      1.00000
     16     -18.3075      1.00000
     17     -18.1539      1.00000
     18     -18.1367      1.00000
     19     -17.8275      1.00000
     20     -17.7900      1.00000
     21     -17.2524      1.00000
     22     -17.2424      1.00000
     23     -17.1654      1.00000
     24     -17.1336      1.00000
     25     -16.1109      1.00000
     26     -15.8864      1.00000
     27     -15.8710      1.00000
     28     -15.8349      1.00000
     29     -15.2370      1.00000
     30     -14.5558      1.00000
     31     -14.5279      1.00000
     32     -14.2807      1.00000
     33     -13.9643      1.00000
     34     -13.9568      1.00000
     35     -13.8207      1.00000
     36     -13.8050      1.00000
     37     -13.6153      1.00000
     38     -13.5715      1.00000
     39     -13.3709      1.00000
     40     -12.6353      1.00000
     41     -12.1815      1.00000
     42     -12.1335      1.00000
     43     -12.0729      1.00000
     44     -12.0206      1.00000
     45     -11.6700      1.00000
     46     -11.6565      1.00000
     47     -11.1394      1.00000
     48     -11.1188      1.00000
     49     -10.7953      1.00000
     50     -10.7318      1.00000
     51     -10.5294      1.00000
     52     -10.2090      1.00000
     53     -10.2063      1.00000
     54     -10.1653      1.00000
     55     -10.0182      1.00000
     56     -10.0048      1.00000
     57      -9.9912      1.00000
     58      -9.8017      1.00000
     59      -9.7979      1.00000
     60      -9.7626      1.00000
     61      -9.7578      1.00000
     62      -9.4551      1.00000
     63      -9.4179      1.00000
     64      -9.0810      1.00000
     65      -9.0727      1.00000
     66      -9.0411      1.00000
     67      -8.9557      1.00000
     68      -8.8778      1.00000
     69      -8.7125      1.00000
     70      -8.7002      1.00000
     71      -8.5663      1.00000
     72      -8.5434      1.00000
     73      -8.4997      1.00000
     74      -8.4629      1.00000
     75      -8.4537      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0437      1.00000
     79      -7.9159      1.00000
     80      -7.8635      1.00000
     81      -7.6151      1.00000
     82      -7.5488      1.00000
     83      -7.4901      1.00000
     84      -7.2680      1.00000
     85      -6.9953      1.00000
     86      -6.9231      1.00000
     87      -6.8821      1.00000
     88      -6.5326      1.00000
     89      -6.4873      1.00000
     90      -6.4614      1.00000
     91      -6.4104      1.00000
     92      -5.9840      1.00000
     93      -5.8976      1.00000
     94      -5.7847      1.00000
     95      -5.7597      1.00000
     96      -5.4322      1.00000
     97      -5.3293      1.00000
     98      -5.2303      1.00000
     99      -5.2178      1.00000
    100      -5.1884      1.00000
    101      -4.6922      1.00000
    102      -4.4215      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5291      1.00000
    106      -3.2741      1.00000
    107      -2.5311      0.00000
    108      -1.4580      0.00000
    109      -1.2666      0.00000
    110      -1.2028      0.00000
    111      -1.1724      0.00000
    112      -0.7196      0.00000
    113      -0.5034      0.00000
    114      -0.4118      0.00000
    115      -0.3394      0.00000
    116      -0.1458      0.00000
    117      -0.0027      0.00000
    118       0.1939      0.00000
    119       0.5613      0.00000
    120       0.6126      0.00000
    121       0.7949      0.00000
    122       0.9052      0.00000
    123       1.1307      0.00000
    124       1.4904      0.00000
    125       1.6329      0.00000
    126       1.8476      0.00000
    127       1.9244      0.00000
    128       2.1026      0.00000
    129       2.1125      0.00000
    130       2.1609      0.00000
    131       2.1923      0.00000
    132       2.2799      0.00000
    133       2.3442      0.00000
    134       2.4736      0.00000
    135       2.5832      0.00000
    136       2.6555      0.00000
    137       2.8521      0.00000
    138       2.8711      0.00000
    139       2.8920      0.00000
    140       3.0090      0.00000
    141       3.0185      0.00000
    142       3.1377      0.00000
    143       3.1881      0.00000
    144       3.2300      0.00000
    145       3.2715      0.00000
    146       3.2825      0.00000
    147       3.2994      0.00000
    148       3.3451      0.00000
    149       3.4215      0.00000
    150       3.4460      0.00000
    151       3.5517      0.00000
    152       3.6229      0.00000
    153       3.7159      0.00000
    154       3.7373      0.00000
    155       3.7698      0.00000
    156       3.8933      0.00000
    157       3.9371      0.00000
    158       4.0020      0.00000
    159       4.1261      0.00000
    160       4.2192      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3186      1.00000
      2     -21.9656      1.00000
      3     -21.8934      1.00000
      4     -21.3858      1.00000
      5     -21.3494      1.00000
      6     -20.8406      1.00000
      7     -20.7742      1.00000
      8     -20.6261      1.00000
      9     -20.0906      1.00000
     10     -20.0618      1.00000
     11     -19.7194      1.00000
     12     -19.6906      1.00000
     13     -19.0107      1.00000
     14     -18.9796      1.00000
     15     -18.6506      1.00000
     16     -18.6179      1.00000
     17     -18.4615      1.00000
     18     -17.6612      1.00000
     19     -17.6475      1.00000
     20     -17.6113      1.00000
     21     -17.5788      1.00000
     22     -17.1379      1.00000
     23     -17.0980      1.00000
     24     -16.9663      1.00000
     25     -16.0086      1.00000
     26     -15.9238      1.00000
     27     -15.5997      1.00000
     28     -15.5761      1.00000
     29     -15.2802      1.00000
     30     -14.8773      1.00000
     31     -14.8303      1.00000
     32     -14.5752      1.00000
     33     -14.5374      1.00000
     34     -14.1643      1.00000
     35     -14.1602      1.00000
     36     -13.1626      1.00000
     37     -13.0968      1.00000
     38     -13.0237      1.00000
     39     -13.0189      1.00000
     40     -12.7184      1.00000
     41     -12.6951      1.00000
     42     -12.3413      1.00000
     43     -12.3141      1.00000
     44     -11.6317      1.00000
     45     -11.6225      1.00000
     46     -11.5706      1.00000
     47     -10.9411      1.00000
     48     -10.9232      1.00000
     49     -10.6694      1.00000
     50     -10.5900      1.00000
     51     -10.5735      1.00000
     52     -10.5010      1.00000
     53     -10.4896      1.00000
     54     -10.4393      1.00000
     55     -10.3567      1.00000
     56     -10.1044      1.00000
     57      -9.8984      1.00000
     58      -9.6091      1.00000
     59      -9.5519      1.00000
     60      -9.4548      1.00000
     61      -9.4180      1.00000
     62      -9.4098      1.00000
     63      -9.3798      1.00000
     64      -9.3727      1.00000
     65      -9.2680      1.00000
     66      -9.1651      1.00000
     67      -9.1412      1.00000
     68      -9.1158      1.00000
     69      -8.8662      1.00000
     70      -8.8601      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1931      1.00000
     75      -8.1705      1.00000
     76      -8.0761      1.00000
     77      -7.8579      1.00000
     78      -7.8371      1.00000
     79      -7.8241      1.00000
     80      -7.7105      1.00000
     81      -7.6961      1.00000
     82      -7.5977      1.00000
     83      -7.5301      1.00000
     84      -7.3506      1.00000
     85      -7.1679      1.00000
     86      -6.9050      1.00000
     87      -6.8958      1.00000
     88      -6.5927      1.00000
     89      -6.5515      1.00000
     90      -6.4061      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2008      1.00000
     94      -6.0041      1.00000
     95      -5.5319      1.00000
     96      -5.4653      1.00000
     97      -5.3142      1.00000
     98      -5.2096      1.00000
     99      -5.0470      1.00000
    100      -4.7235      1.00000
    101      -4.6716      1.00000
    102      -4.4239      1.00000
    103      -4.1947      1.00000
    104      -3.8428      1.00000
    105      -3.6344      1.00000
    106      -3.4162      1.00000
    107      -2.2924      0.00000
    108      -1.5092      0.00000
    109      -1.2699      0.00000
    110      -1.2622      0.00000
    111      -1.0342      0.00000
    112      -0.9777      0.00000
    113      -0.8680      0.00000
    114      -0.7997      0.00000
    115      -0.2616      0.00000
    116       0.2045      0.00000
    117       0.2396      0.00000
    118       0.3600      0.00000
    119       0.6893      0.00000
    120       0.8941      0.00000
    121       0.9238      0.00000
    122       1.0394      0.00000
    123       1.1654      0.00000
    124       1.5081      0.00000
    125       1.5557      0.00000
    126       1.7087      0.00000
    127       1.7786      0.00000
    128       1.8339      0.00000
    129       1.9650      0.00000
    130       1.9819      0.00000
    131       2.1876      0.00000
    132       2.2572      0.00000
    133       2.4115      0.00000
    134       2.4754      0.00000
    135       2.5360      0.00000
    136       2.6003      0.00000
    137       2.6188      0.00000
    138       2.6968      0.00000
    139       2.7524      0.00000
    140       2.8594      0.00000
    141       3.0333      0.00000
    142       3.0764      0.00000
    143       3.1893      0.00000
    144       3.2489      0.00000
    145       3.2655      0.00000
    146       3.2976      0.00000
    147       3.3481      0.00000
    148       3.4496      0.00000
    149       3.5169      0.00000
    150       3.6902      0.00000
    151       3.7168      0.00000
    152       3.7499      0.00000
    153       3.8300      0.00000
    154       3.8910      0.00000
    155       3.9276      0.00000
    156       3.9765      0.00000
    157       4.0070      0.00000
    158       4.0449      0.00000
    159       4.0496      0.00000
    160       4.0869      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3908      1.00000
      2     -21.8320      1.00000
      3     -21.6426      1.00000
      4     -21.6076      1.00000
      5     -21.2799      1.00000
      6     -21.2329      1.00000
      7     -21.0576      1.00000
      8     -20.1725      1.00000
      9     -20.1263      1.00000
     10     -19.6178      1.00000
     11     -19.5916      1.00000
     12     -19.4166      1.00000
     13     -19.0955      1.00000
     14     -19.0568      1.00000
     15     -19.0524      1.00000
     16     -19.0397      1.00000
     17     -18.3675      1.00000
     18     -18.3478      1.00000
     19     -18.0175      1.00000
     20     -17.0730      1.00000
     21     -17.0242      1.00000
     22     -16.9502      1.00000
     23     -16.9364      1.00000
     24     -16.4752      1.00000
     25     -16.4633      1.00000
     26     -15.6100      1.00000
     27     -15.6095      1.00000
     28     -15.2504      1.00000
     29     -15.2383      1.00000
     30     -15.1922      1.00000
     31     -15.1021      1.00000
     32     -15.0691      1.00000
     33     -14.6987      1.00000
     34     -14.6977      1.00000
     35     -13.7253      1.00000
     36     -13.7252      1.00000
     37     -13.2358      1.00000
     38     -12.6246      1.00000
     39     -12.5805      1.00000
     40     -12.4554      1.00000
     41     -12.4501      1.00000
     42     -12.1052      1.00000
     43     -12.1002      1.00000
     44     -11.7218      1.00000
     45     -11.6832      1.00000
     46     -11.2455      1.00000
     47     -11.2248      1.00000
     48     -11.0181      1.00000
     49     -11.0064      1.00000
     50     -10.9279      1.00000
     51     -10.8993      1.00000
     52     -10.6376      1.00000
     53     -10.1728      1.00000
     54     -10.1499      1.00000
     55     -10.0851      1.00000
     56      -9.9926      1.00000
     57      -9.6965      1.00000
     58      -9.6900      1.00000
     59      -9.6709      1.00000
     60      -9.5914      1.00000
     61      -9.5673      1.00000
     62      -9.5542      1.00000
     63      -9.3131      1.00000
     64      -9.3004      1.00000
     65      -9.2837      1.00000
     66      -9.2429      1.00000
     67      -9.1226      1.00000
     68      -9.1129      1.00000
     69      -9.1112      1.00000
     70      -8.9400      1.00000
     71      -8.8751      1.00000
     72      -8.6048      1.00000
     73      -8.5860      1.00000
     74      -8.2712      1.00000
     75      -8.1015      1.00000
     76      -7.8674      1.00000
     77      -7.8439      1.00000
     78      -7.7907      1.00000
     79      -7.7649      1.00000
     80      -7.7559      1.00000
     81      -7.4473      1.00000
     82      -7.3349      1.00000
     83      -7.3234      1.00000
     84      -7.2663      1.00000
     85      -7.1628      1.00000
     86      -7.0147      1.00000
     87      -6.9867      1.00000
     88      -6.7179      1.00000
     89      -6.6907      1.00000
     90      -6.6318      1.00000
     91      -6.5907      1.00000
     92      -6.1178      1.00000
     93      -6.0589      1.00000
     94      -6.0448      1.00000
     95      -6.0284      1.00000
     96      -5.7480      1.00000
     97      -4.9747      1.00000
     98      -4.8396      1.00000
     99      -4.7090      1.00000
    100      -4.6734      1.00000
    101      -4.4836      1.00000
    102      -4.3522      1.00000
    103      -4.1119      1.00000
    104      -4.0555      1.00000
    105      -3.7549      1.00000
    106      -3.4654      1.00000
    107      -1.9505      0.00000
    108      -1.7710      0.00000
    109      -1.4797      0.00000
    110      -1.3554      0.00000
    111      -1.3358      0.00000
    112      -1.2925      0.00000
    113      -0.6785      0.00000
    114      -0.4719      0.00000
    115      -0.2353      0.00000
    116       0.0516      0.00000
    117       0.5857      0.00000
    118       0.6925      0.00000
    119       0.7701      0.00000
    120       1.0226      0.00000
    121       1.0971      0.00000
    122       1.1761      0.00000
    123       1.2496      0.00000
    124       1.3333      0.00000
    125       1.4310      0.00000
    126       1.5945      0.00000
    127       1.7664      0.00000
    128       1.8418      0.00000
    129       1.8611      0.00000
    130       1.8867      0.00000
    131       2.0481      0.00000
    132       2.2157      0.00000
    133       2.2286      0.00000
    134       2.2820      0.00000
    135       2.4781      0.00000
    136       2.6136      0.00000
    137       2.6476      0.00000
    138       2.7472      0.00000
    139       2.7916      0.00000
    140       2.8362      0.00000
    141       2.8466      0.00000
    142       2.8803      0.00000
    143       2.9542      0.00000
    144       3.0791      0.00000
    145       3.3158      0.00000
    146       3.3569      0.00000
    147       3.4093      0.00000
    148       3.4216      0.00000
    149       3.4234      0.00000
    150       3.5963      0.00000
    151       3.6547      0.00000
    152       3.6706      0.00000
    153       3.7266      0.00000
    154       3.8922      0.00000
    155       3.9225      0.00000
    156       3.9571      0.00000
    157       4.1103      0.00000
    158       4.2050      0.00000
    159       4.2481      0.00000
    160       4.2812      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2109      1.00000
      2     -22.1202      1.00000
      3     -21.9578      1.00000
      4     -21.4057      1.00000
      5     -21.0471      1.00000
      6     -21.0188      1.00000
      7     -20.4970      1.00000
      8     -20.4671      1.00000
      9     -20.2872      1.00000
     10     -20.2852      1.00000
     11     -19.9575      1.00000
     12     -19.8944      1.00000
     13     -18.8841      1.00000
     14     -18.8165      1.00000
     15     -18.3385      1.00000
     16     -18.3195      1.00000
     17     -18.1498      1.00000
     18     -18.1423      1.00000
     19     -17.8165      1.00000
     20     -17.7985      1.00000
     21     -17.2586      1.00000
     22     -17.2390      1.00000
     23     -17.1607      1.00000
     24     -17.1359      1.00000
     25     -16.1174      1.00000
     26     -15.8811      1.00000
     27     -15.8700      1.00000
     28     -15.8408      1.00000
     29     -15.2313      1.00000
     30     -14.5512      1.00000
     31     -14.5328      1.00000
     32     -14.2759      1.00000
     33     -13.9755      1.00000
     34     -13.9518      1.00000
     35     -13.8252      1.00000
     36     -13.8029      1.00000
     37     -13.6043      1.00000
     38     -13.5791      1.00000
     39     -13.3711      1.00000
     40     -12.6395      1.00000
     41     -12.1690      1.00000
     42     -12.1427      1.00000
     43     -12.0684      1.00000
     44     -12.0216      1.00000
     45     -11.6654      1.00000
     46     -11.6607      1.00000
     47     -11.1367      1.00000
     48     -11.1257      1.00000
     49     -10.7904      1.00000
     50     -10.7343      1.00000
     51     -10.5361      1.00000
     52     -10.2089      1.00000
     53     -10.2027      1.00000
     54     -10.1710      1.00000
     55     -10.0232      1.00000
     56      -9.9948      1.00000
     57      -9.9906      1.00000
     58      -9.8054      1.00000
     59      -9.7964      1.00000
     60      -9.7648      1.00000
     61      -9.7568      1.00000
     62      -9.4543      1.00000
     63      -9.4178      1.00000
     64      -9.0851      1.00000
     65      -9.0462      1.00000
     66      -9.0259      1.00000
     67      -8.9696      1.00000
     68      -8.8981      1.00000
     69      -8.7085      1.00000
     70      -8.6993      1.00000
     71      -8.5598      1.00000
     72      -8.5491      1.00000
     73      -8.4781      1.00000
     74      -8.4597      1.00000
     75      -8.4570      1.00000
     76      -8.3087      1.00000
     77      -8.0954      1.00000
     78      -8.0896      1.00000
     79      -7.9268      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5367      1.00000
     83      -7.4437      1.00000
     84      -7.3142      1.00000
     85      -6.9941      1.00000
     86      -6.9194      1.00000
     87      -6.8824      1.00000
     88      -6.5275      1.00000
     89      -6.5148      1.00000
     90      -6.4807      1.00000
     91      -6.4207      1.00000
     92      -5.9272      1.00000
     93      -5.9053      1.00000
     94      -5.7889      1.00000
     95      -5.7750      1.00000
     96      -5.3694      1.00000
     97      -5.3632      1.00000
     98      -5.2204      1.00000
     99      -5.2154      1.00000
    100      -5.1988      1.00000
    101      -4.7203      1.00000
    102      -4.4423      1.00000
    103      -4.1908      1.00000
    104      -3.8204      1.00000
    105      -3.5654      1.00000
    106      -3.2214      1.00000
    107      -2.5625      0.00000
    108      -1.4631      0.00000
    109      -1.2672      0.00000
    110      -1.1851      0.00000
    111      -1.1836      0.00000
    112      -0.6447      0.00000
    113      -0.5513      0.00000
    114      -0.4146      0.00000
    115      -0.3473      0.00000
    116      -0.0776      0.00000
    117      -0.0632      0.00000
    118       0.1259      0.00000
    119       0.5932      0.00000
    120       0.6264      0.00000
    121       0.8535      0.00000
    122       0.9837      0.00000
    123       1.0022      0.00000
    124       1.4927      0.00000
    125       1.6819      0.00000
    126       1.7591      0.00000
    127       1.8567      0.00000
    128       2.1086      0.00000
    129       2.1548      0.00000
    130       2.1929      0.00000
    131       2.2103      0.00000
    132       2.2587      0.00000
    133       2.3582      0.00000
    134       2.4923      0.00000
    135       2.5193      0.00000
    136       2.6616      0.00000
    137       2.8526      0.00000
    138       2.8589      0.00000
    139       2.9514      0.00000
    140       2.9957      0.00000
    141       3.0330      0.00000
    142       3.1333      0.00000
    143       3.2019      0.00000
    144       3.2433      0.00000
    145       3.2456      0.00000
    146       3.2789      0.00000
    147       3.3020      0.00000
    148       3.3533      0.00000
    149       3.4211      0.00000
    150       3.5477      0.00000
    151       3.5642      0.00000
    152       3.6443      0.00000
    153       3.6633      0.00000
    154       3.7117      0.00000
    155       3.7338      0.00000
    156       3.8952      0.00000
    157       3.9577      0.00000
    158       4.0330      0.00000
    159       4.0713      0.00000
    160       4.1799      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2844      1.00000
      2     -22.0798      1.00000
      3     -21.7214      1.00000
      4     -21.6822      1.00000
      5     -20.9839      1.00000
      6     -20.9361      1.00000
      7     -20.6124      1.00000
      8     -20.5802      1.00000
      9     -20.5666      1.00000
     10     -20.0332      1.00000
     11     -19.5142      1.00000
     12     -19.4841      1.00000
     13     -19.3122      1.00000
     14     -19.2992      1.00000
     15     -18.4505      1.00000
     16     -18.4073      1.00000
     17     -17.9282      1.00000
     18     -17.9078      1.00000
     19     -17.7667      1.00000
     20     -17.7217      1.00000
     21     -17.4422      1.00000
     22     -17.4237      1.00000
     23     -17.3388      1.00000
     24     -16.4713      1.00000
     25     -16.4611      1.00000
     26     -15.9713      1.00000
     27     -15.4114      1.00000
     28     -15.4104      1.00000
     29     -15.0963      1.00000
     30     -15.0933      1.00000
     31     -14.8534      1.00000
     32     -14.8411      1.00000
     33     -14.2984      1.00000
     34     -14.2546      1.00000
     35     -13.4447      1.00000
     36     -13.4009      1.00000
     37     -13.1754      1.00000
     38     -13.1740      1.00000
     39     -12.9864      1.00000
     40     -12.9774      1.00000
     41     -12.6109      1.00000
     42     -12.6088      1.00000
     43     -12.1973      1.00000
     44     -11.5797      1.00000
     45     -11.5386      1.00000
     46     -11.3136      1.00000
     47     -11.2833      1.00000
     48     -11.1424      1.00000
     49     -10.6925      1.00000
     50     -10.6631      1.00000
     51     -10.5474      1.00000
     52     -10.3227      1.00000
     53     -10.3150      1.00000
     54     -10.1761      1.00000
     55     -10.1213      1.00000
     56     -10.1080      1.00000
     57      -9.8119      1.00000
     58      -9.7529      1.00000
     59      -9.7524      1.00000
     60      -9.7026      1.00000
     61      -9.6987      1.00000
     62      -9.6473      1.00000
     63      -9.3529      1.00000
     64      -9.3515      1.00000
     65      -9.3178      1.00000
     66      -9.0282      1.00000
     67      -8.9618      1.00000
     68      -8.9580      1.00000
     69      -8.7758      1.00000
     70      -8.5915      1.00000
     71      -8.5885      1.00000
     72      -8.4240      1.00000
     73      -8.3499      1.00000
     74      -8.3224      1.00000
     75      -8.3023      1.00000
     76      -8.2657      1.00000
     77      -8.2540      1.00000
     78      -8.2393      1.00000
     79      -7.9216      1.00000
     80      -7.7341      1.00000
     81      -7.3798      1.00000
     82      -7.3502      1.00000
     83      -7.3236      1.00000
     84      -7.2175      1.00000
     85      -7.1604      1.00000
     86      -7.0654      1.00000
     87      -6.9609      1.00000
     88      -6.9053      1.00000
     89      -6.6132      1.00000
     90      -6.5568      1.00000
     91      -6.2708      1.00000
     92      -5.9967      1.00000
     93      -5.9595      1.00000
     94      -5.6753      1.00000
     95      -5.6487      1.00000
     96      -5.3875      1.00000
     97      -5.3151      1.00000
     98      -5.2940      1.00000
     99      -5.2120      1.00000
    100      -5.2004      1.00000
    101      -4.5115      1.00000
    102      -4.3387      1.00000
    103      -3.9965      1.00000
    104      -3.8859      1.00000
    105      -3.7928      1.00000
    106      -3.4433      1.00000
    107      -2.0344      0.00000
    108      -1.8633      0.00000
    109      -1.2175      0.00000
    110      -1.1841      0.00000
    111      -1.0357      0.00000
    112      -0.7721      0.00000
    113      -0.6772      0.00000
    114      -0.6598      0.00000
    115      -0.6096      0.00000
    116      -0.1017      0.00000
    117       0.2227      0.00000
    118       0.2397      0.00000
    119       0.7677      0.00000
    120       0.9823      0.00000
    121       1.0737      0.00000
    122       1.2411      0.00000
    123       1.2509      0.00000
    124       1.3396      0.00000
    125       1.5769      0.00000
    126       1.5852      0.00000
    127       1.6975      0.00000
    128       1.7971      0.00000
    129       1.9431      0.00000
    130       1.9560      0.00000
    131       2.0930      0.00000
    132       2.3016      0.00000
    133       2.3428      0.00000
    134       2.4134      0.00000
    135       2.5395      0.00000
    136       2.6267      0.00000
    137       2.7756      0.00000
    138       2.8358      0.00000
    139       2.8407      0.00000
    140       2.8633      0.00000
    141       3.0412      0.00000
    142       3.0973      0.00000
    143       3.1480      0.00000
    144       3.2179      0.00000
    145       3.3751      0.00000
    146       3.4137      0.00000
    147       3.4994      0.00000
    148       3.5423      0.00000
    149       3.5904      0.00000
    150       3.6071      0.00000
    151       3.6444      0.00000
    152       3.7332      0.00000
    153       3.7425      0.00000
    154       3.7782      0.00000
    155       3.8251      0.00000
    156       3.8792      0.00000
    157       4.0241      0.00000
    158       4.0832      0.00000
    159       4.1647      0.00000
    160       4.2073      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4275      1.00000
      2     -21.6043      1.00000
      3     -21.4826      1.00000
      4     -21.4735      1.00000
      5     -21.4419      1.00000
      6     -21.4411      1.00000
      7     -21.4310      1.00000
      8     -19.7084      1.00000
      9     -19.6535      1.00000
     10     -19.6302      1.00000
     11     -19.6192      1.00000
     12     -19.6139      1.00000
     13     -19.6129      1.00000
     14     -18.7905      1.00000
     15     -18.7554      1.00000
     16     -18.7356      1.00000
     17     -18.7261      1.00000
     18     -18.7190      1.00000
     19     -18.7136      1.00000
     20     -16.6353      1.00000
     21     -16.6095      1.00000
     22     -16.5851      1.00000
     23     -16.5817      1.00000
     24     -16.5547      1.00000
     25     -16.5530      1.00000
     26     -15.6153      1.00000
     27     -15.6026      1.00000
     28     -15.5993      1.00000
     29     -15.5652      1.00000
     30     -15.5635      1.00000
     31     -15.5626      1.00000
     32     -14.2603      1.00000
     33     -14.2510      1.00000
     34     -14.2410      1.00000
     35     -14.2360      1.00000
     36     -14.2228      1.00000
     37     -14.2199      1.00000
     38     -11.9059      1.00000
     39     -11.8790      1.00000
     40     -11.8678      1.00000
     41     -11.8657      1.00000
     42     -11.8450      1.00000
     43     -11.8448      1.00000
     44     -11.7715      1.00000
     45     -11.7688      1.00000
     46     -11.7361      1.00000
     47     -11.7294      1.00000
     48     -11.7252      1.00000
     49     -11.7227      1.00000
     50     -10.6766      1.00000
     51     -10.3889      1.00000
     52     -10.3839      1.00000
     53     -10.3770      1.00000
     54     -10.3692      1.00000
     55     -10.3559      1.00000
     56     -10.3538      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4059      1.00000
     60      -9.3629      1.00000
     61      -9.3623      1.00000
     62      -9.3545      1.00000
     63      -9.1425      1.00000
     64      -9.1218      1.00000
     65      -9.1212      1.00000
     66      -9.0848      1.00000
     67      -9.0719      1.00000
     68      -9.0712      1.00000
     69      -9.0711      1.00000
     70      -9.0641      1.00000
     71      -9.0641      1.00000
     72      -9.0384      1.00000
     73      -9.0288      1.00000
     74      -9.0256      1.00000
     75      -8.1301      1.00000
     76      -7.7457      1.00000
     77      -7.4686      1.00000
     78      -7.4666      1.00000
     79      -7.4537      1.00000
     80      -7.4341      1.00000
     81      -7.4246      1.00000
     82      -7.4065      1.00000
     83      -7.3130      1.00000
     84      -7.2712      1.00000
     85      -7.2575      1.00000
     86      -7.2490      1.00000
     87      -7.1507      1.00000
     88      -7.0494      1.00000
     89      -6.4463      1.00000
     90      -6.4161      1.00000
     91      -6.4004      1.00000
     92      -6.3637      1.00000
     93      -6.3530      1.00000
     94      -6.3407      1.00000
     95      -5.9584      1.00000
     96      -5.9580      1.00000
     97      -4.8063      1.00000
     98      -4.5443      1.00000
     99      -4.4814      1.00000
    100      -4.4743      1.00000
    101      -4.3822      1.00000
    102      -4.3816      1.00000
    103      -4.2678      1.00000
    104      -4.1872      1.00000
    105      -3.7392      1.00000
    106      -3.4775      1.00000
    107      -1.8618      0.00000
    108      -1.6705      0.00000
    109      -1.6240      0.00000
    110      -1.5912      0.00000
    111      -1.5758      0.00000
    112      -1.5748      0.00000
    113      -0.4288      0.00000
    114       0.1458      0.00000
    115       0.1922      0.00000
    116       0.2558      0.00000
    117       0.2676      0.00000
    118       0.2715      0.00000
    119       0.4771      0.00000
    120       0.5459      0.00000
    121       1.2457      0.00000
    122       1.2897      0.00000
    123       1.5321      0.00000
    124       1.7696      0.00000
    125       1.7725      0.00000
    126       1.7727      0.00000
    127       1.8071      0.00000
    128       1.8292      0.00000
    129       1.9588      0.00000
    130       1.9682      0.00000
    131       1.9746      0.00000
    132       1.9894      0.00000
    133       1.9965      0.00000
    134       2.0767      0.00000
    135       2.2464      0.00000
    136       2.3471      0.00000
    137       2.6039      0.00000
    138       2.6059      0.00000
    139       2.6316      0.00000
    140       2.7036      0.00000
    141       2.9335      0.00000
    142       3.0531      0.00000
    143       3.0716      0.00000
    144       3.1042      0.00000
    145       3.1065      0.00000
    146       3.1126      0.00000
    147       3.1146      0.00000
    148       3.2724      0.00000
    149       3.4534      0.00000
    150       3.5034      0.00000
    151       3.8238      0.00000
    152       3.9478      0.00000
    153       3.9526      0.00000
    154       3.9562      0.00000
    155       3.9567      0.00000
    156       3.9949      0.00000
    157       4.1884      0.00000
    158       4.2620      0.00000
    159       4.2782      0.00000
    160       4.2835      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8317      1.00000
      3     -21.6394      1.00000
      4     -21.6116      1.00000
      5     -21.2758      1.00000
      6     -21.2364      1.00000
      7     -21.0580      1.00000
      8     -20.1687      1.00000
      9     -20.1305      1.00000
     10     -19.6095      1.00000
     11     -19.5985      1.00000
     12     -19.4181      1.00000
     13     -19.0905      1.00000
     14     -19.0608      1.00000
     15     -19.0497      1.00000
     16     -19.0423      1.00000
     17     -18.3614      1.00000
     18     -18.3530      1.00000
     19     -18.0197      1.00000
     20     -17.0697      1.00000
     21     -17.0310      1.00000
     22     -16.9444      1.00000
     23     -16.9405      1.00000
     24     -16.4684      1.00000
     25     -16.4637      1.00000
     26     -15.6149      1.00000
     27     -15.6080      1.00000
     28     -15.2532      1.00000
     29     -15.2441      1.00000
     30     -15.1853      1.00000
     31     -15.0984      1.00000
     32     -15.0716      1.00000
     33     -14.6991      1.00000
     34     -14.6971      1.00000
     35     -13.7269      1.00000
     36     -13.7244      1.00000
     37     -13.2361      1.00000
     38     -12.6144      1.00000
     39     -12.5842      1.00000
     40     -12.4547      1.00000
     41     -12.4511      1.00000
     42     -12.1095      1.00000
     43     -12.1050      1.00000
     44     -11.7178      1.00000
     45     -11.6869      1.00000
     46     -11.2354      1.00000
     47     -11.2261      1.00000
     48     -11.0180      1.00000
     49     -11.0101      1.00000
     50     -10.9271      1.00000
     51     -10.9056      1.00000
     52     -10.6316      1.00000
     53     -10.1552      1.00000
     54     -10.1512      1.00000
     55     -10.0919      1.00000
     56      -9.9990      1.00000
     57      -9.7032      1.00000
     58      -9.6952      1.00000
     59      -9.6565      1.00000
     60      -9.5921      1.00000
     61      -9.5770      1.00000
     62      -9.5590      1.00000
     63      -9.3073      1.00000
     64      -9.3035      1.00000
     65      -9.2746      1.00000
     66      -9.2369      1.00000
     67      -9.1372      1.00000
     68      -9.1152      1.00000
     69      -9.1116      1.00000
     70      -8.9401      1.00000
     71      -8.8724      1.00000
     72      -8.6045      1.00000
     73      -8.5909      1.00000
     74      -8.2367      1.00000
     75      -8.1005      1.00000
     76      -7.9135      1.00000
     77      -7.8639      1.00000
     78      -7.7717      1.00000
     79      -7.7569      1.00000
     80      -7.6923      1.00000
     81      -7.5606      1.00000
     82      -7.3388      1.00000
     83      -7.3228      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0124      1.00000
     88      -6.7046      1.00000
     89      -6.6783      1.00000
     90      -6.6413      1.00000
     91      -6.5978      1.00000
     92      -6.1157      1.00000
     93      -6.0623      1.00000
     94      -6.0312      1.00000
     95      -6.0115      1.00000
     96      -5.7834      1.00000
     97      -4.9744      1.00000
     98      -4.8321      1.00000
     99      -4.7470      1.00000
    100      -4.6794      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1719      1.00000
    104      -4.1279      1.00000
    105      -3.7295      1.00000
    106      -3.4877      1.00000
    107      -1.8702      0.00000
    108      -1.8088      0.00000
    109      -1.5243      0.00000
    110      -1.3775      0.00000
    111      -1.3213      0.00000
    112      -1.2879      0.00000
    113      -0.7198      0.00000
    114      -0.3759      0.00000
    115      -0.2498      0.00000
    116       0.0369      0.00000
    117       0.5543      0.00000
    118       0.6982      0.00000
    119       0.7463      0.00000
    120       1.0478      0.00000
    121       1.1000      0.00000
    122       1.1489      0.00000
    123       1.2272      0.00000
    124       1.3760      0.00000
    125       1.5216      0.00000
    126       1.5786      0.00000
    127       1.7143      0.00000
    128       1.8181      0.00000
    129       1.8586      0.00000
    130       1.8815      0.00000
    131       2.0964      0.00000
    132       2.1837      0.00000
    133       2.2401      0.00000
    134       2.3036      0.00000
    135       2.5100      0.00000
    136       2.5841      0.00000
    137       2.6467      0.00000
    138       2.7768      0.00000
    139       2.7943      0.00000
    140       2.8262      0.00000
    141       2.8682      0.00000
    142       2.8977      0.00000
    143       2.9491      0.00000
    144       3.0751      0.00000
    145       3.1497      0.00000
    146       3.3184      0.00000
    147       3.3917      0.00000
    148       3.4370      0.00000
    149       3.4634      0.00000
    150       3.6137      0.00000
    151       3.6463      0.00000
    152       3.6681      0.00000
    153       3.7110      0.00000
    154       3.9059      0.00000
    155       3.9610      0.00000
    156       4.0149      0.00000
    157       4.0696      0.00000
    158       4.2320      0.00000
    159       4.2469      0.00000
    160       4.2768      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2848      1.00000
      2     -22.0792      1.00000
      3     -21.7178      1.00000
      4     -21.6860      1.00000
      5     -20.9805      1.00000
      6     -20.9399      1.00000
      7     -20.6129      1.00000
      8     -20.5762      1.00000
      9     -20.5700      1.00000
     10     -20.0336      1.00000
     11     -19.5043      1.00000
     12     -19.4926      1.00000
     13     -19.3077      1.00000
     14     -19.3025      1.00000
     15     -18.4484      1.00000
     16     -18.4118      1.00000
     17     -17.9230      1.00000
     18     -17.9136      1.00000
     19     -17.7623      1.00000
     20     -17.7265      1.00000
     21     -17.4365      1.00000
     22     -17.4291      1.00000
     23     -17.3414      1.00000
     24     -16.4634      1.00000
     25     -16.4622      1.00000
     26     -15.9677      1.00000
     27     -15.4150      1.00000
     28     -15.4095      1.00000
     29     -15.0972      1.00000
     30     -15.0938      1.00000
     31     -14.8554      1.00000
     32     -14.8478      1.00000
     33     -14.2907      1.00000
     34     -14.2579      1.00000
     35     -13.4370      1.00000
     36     -13.4044      1.00000
     37     -13.1778      1.00000
     38     -13.1745      1.00000
     39     -12.9825      1.00000
     40     -12.9776      1.00000
     41     -12.6133      1.00000
     42     -12.6102      1.00000
     43     -12.1980      1.00000
     44     -11.5770      1.00000
     45     -11.5433      1.00000
     46     -11.3111      1.00000
     47     -11.2883      1.00000
     48     -11.1422      1.00000
     49     -10.6767      1.00000
     50     -10.6605      1.00000
     51     -10.5536      1.00000
     52     -10.3236      1.00000
     53     -10.3180      1.00000
     54     -10.1699      1.00000
     55     -10.1155      1.00000
     56     -10.1129      1.00000
     57      -9.7987      1.00000
     58      -9.7650      1.00000
     59      -9.7523      1.00000
     60      -9.7003      1.00000
     61      -9.6971      1.00000
     62      -9.6626      1.00000
     63      -9.3544      1.00000
     64      -9.3517      1.00000
     65      -9.3158      1.00000
     66      -9.0414      1.00000
     67      -8.9622      1.00000
     68      -8.9498      1.00000
     69      -8.7999      1.00000
     70      -8.5951      1.00000
     71      -8.5580      1.00000
     72      -8.3987      1.00000
     73      -8.3652      1.00000
     74      -8.3246      1.00000
     75      -8.3071      1.00000
     76      -8.2589      1.00000
     77      -8.2573      1.00000
     78      -8.2365      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3864      1.00000
     83      -7.3494      1.00000
     84      -7.2308      1.00000
     85      -7.0967      1.00000
     86      -7.0390      1.00000
     87      -6.9341      1.00000
     88      -6.8483      1.00000
     89      -6.6126      1.00000
     90      -6.5586      1.00000
     91      -6.2697      1.00000
     92      -6.0439      1.00000
     93      -5.9517      1.00000
     94      -5.6628      1.00000
     95      -5.6227      1.00000
     96      -5.4632      1.00000
     97      -5.3200      1.00000
     98      -5.2789      1.00000
     99      -5.2139      1.00000
    100      -5.1939      1.00000
    101      -4.5084      1.00000
    102      -4.2076      1.00000
    103      -4.0592      1.00000
    104      -3.9891      1.00000
    105      -3.6943      1.00000
    106      -3.4979      1.00000
    107      -1.9462      0.00000
    108      -1.8962      0.00000
    109      -1.3389      0.00000
    110      -1.0848      0.00000
    111      -1.0581      0.00000
    112      -0.8002      0.00000
    113      -0.6775      0.00000
    114      -0.6467      0.00000
    115      -0.6071      0.00000
    116      -0.1080      0.00000
    117       0.2156      0.00000
    118       0.3292      0.00000
    119       0.6926      0.00000
    120       0.8863      0.00000
    121       1.1269      0.00000
    122       1.1991      0.00000
    123       1.3248      0.00000
    124       1.4186      0.00000
    125       1.5535      0.00000
    126       1.5760      0.00000
    127       1.6760      0.00000
    128       1.8076      0.00000
    129       1.8802      0.00000
    130       2.0527      0.00000
    131       2.1304      0.00000
    132       2.3311      0.00000
    133       2.3629      0.00000
    134       2.3926      0.00000
    135       2.5414      0.00000
    136       2.6290      0.00000
    137       2.7271      0.00000
    138       2.7666      0.00000
    139       2.8327      0.00000
    140       2.8779      0.00000
    141       3.0440      0.00000
    142       3.0533      0.00000
    143       3.1590      0.00000
    144       3.2617      0.00000
    145       3.3595      0.00000
    146       3.4139      0.00000
    147       3.4305      0.00000
    148       3.5638      0.00000
    149       3.5798      0.00000
    150       3.5957      0.00000
    151       3.6591      0.00000
    152       3.6738      0.00000
    153       3.7795      0.00000
    154       3.7997      0.00000
    155       3.8152      0.00000
    156       3.8961      0.00000
    157       3.9179      0.00000
    158       3.9970      0.00000
    159       4.2105      0.00000
    160       4.2271      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3188      1.00000
      2     -21.9641      1.00000
      3     -21.8949      1.00000
      4     -21.3821      1.00000
      5     -21.3529      1.00000
      6     -20.8408      1.00000
      7     -20.7755      1.00000
      8     -20.6252      1.00000
      9     -20.0787      1.00000
     10     -20.0730      1.00000
     11     -19.7178      1.00000
     12     -19.6933      1.00000
     13     -18.9974      1.00000
     14     -18.9915      1.00000
     15     -18.6415      1.00000
     16     -18.6256      1.00000
     17     -18.4629      1.00000
     18     -17.6759      1.00000
     19     -17.6255      1.00000
     20     -17.6227      1.00000
     21     -17.5809      1.00000
     22     -17.1272      1.00000
     23     -17.1057      1.00000
     24     -16.9626      1.00000
     25     -16.0022      1.00000
     26     -15.9304      1.00000
     27     -15.5864      1.00000
     28     -15.5861      1.00000
     29     -15.2875      1.00000
     30     -14.8647      1.00000
     31     -14.8374      1.00000
     32     -14.5794      1.00000
     33     -14.5375      1.00000
     34     -14.1693      1.00000
     35     -14.1557      1.00000
     36     -13.1483      1.00000
     37     -13.1011      1.00000
     38     -13.0300      1.00000
     39     -13.0199      1.00000
     40     -12.7094      1.00000
     41     -12.7052      1.00000
     42     -12.3422      1.00000
     43     -12.3109      1.00000
     44     -11.6364      1.00000
     45     -11.6228      1.00000
     46     -11.5726      1.00000
     47     -10.9500      1.00000
     48     -10.9169      1.00000
     49     -10.6328      1.00000
     50     -10.6247      1.00000
     51     -10.5478      1.00000
     52     -10.5001      1.00000
     53     -10.4998      1.00000
     54     -10.4397      1.00000
     55     -10.3606      1.00000
     56     -10.1000      1.00000
     57      -9.9042      1.00000
     58      -9.6086      1.00000
     59      -9.5563      1.00000
     60      -9.4529      1.00000
     61      -9.4125      1.00000
     62      -9.4056      1.00000
     63      -9.3774      1.00000
     64      -9.3771      1.00000
     65      -9.2879      1.00000
     66      -9.1690      1.00000
     67      -9.1434      1.00000
     68      -9.1151      1.00000
     69      -8.8651      1.00000
     70      -8.8575      1.00000
     71      -8.8157      1.00000
     72      -8.5974      1.00000
     73      -8.4805      1.00000
     74      -8.1990      1.00000
     75      -8.1636      1.00000
     76      -8.0092      1.00000
     77      -7.9639      1.00000
     78      -7.8505      1.00000
     79      -7.8404      1.00000
     80      -7.7043      1.00000
     81      -7.6969      1.00000
     82      -7.6224      1.00000
     83      -7.4490      1.00000
     84      -7.3009      1.00000
     85      -7.2532      1.00000
     86      -6.9064      1.00000
     87      -6.8927      1.00000
     88      -6.5889      1.00000
     89      -6.5514      1.00000
     90      -6.4061      1.00000
     91      -6.2536      1.00000
     92      -6.2329      1.00000
     93      -6.2055      1.00000
     94      -6.0232      1.00000
     95      -5.5501      1.00000
     96      -5.4890      1.00000
     97      -5.3504      1.00000
     98      -5.2197      1.00000
     99      -4.9795      1.00000
    100      -4.7326      1.00000
    101      -4.6780      1.00000
    102      -4.3875      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5463      1.00000
    106      -3.5099      1.00000
    107      -2.2562      0.00000
    108      -1.4565      0.00000
    109      -1.3712      0.00000
    110      -1.2417      0.00000
    111      -1.0978      0.00000
    112      -0.9449      0.00000
    113      -0.8636      0.00000
    114      -0.8031      0.00000
    115      -0.1393      0.00000
    116       0.1112      0.00000
    117       0.2408      0.00000
    118       0.3777      0.00000
    119       0.6500      0.00000
    120       0.8358      0.00000
    121       0.9366      0.00000
    122       1.0626      0.00000
    123       1.2315      0.00000
    124       1.4466      0.00000
    125       1.5463      0.00000
    126       1.7664      0.00000
    127       1.7930      0.00000
    128       1.8750      0.00000
    129       1.9650      0.00000
    130       2.0456      0.00000
    131       2.1721      0.00000
    132       2.1964      0.00000
    133       2.4076      0.00000
    134       2.4686      0.00000
    135       2.5367      0.00000
    136       2.6043      0.00000
    137       2.6399      0.00000
    138       2.6936      0.00000
    139       2.7720      0.00000
    140       2.8305      0.00000
    141       2.9453      0.00000
    142       3.0781      0.00000
    143       3.1981      0.00000
    144       3.2166      0.00000
    145       3.2623      0.00000
    146       3.3216      0.00000
    147       3.3265      0.00000
    148       3.4650      0.00000
    149       3.4954      0.00000
    150       3.6987      0.00000
    151       3.7091      0.00000
    152       3.7285      0.00000
    153       3.8557      0.00000
    154       3.9154      0.00000
    155       3.9399      0.00000
    156       3.9793      0.00000
    157       4.0171      0.00000
    158       4.0333      0.00000
    159       4.0464      0.00000
    160       4.0678      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2118      1.00000
      2     -22.1188      1.00000
      3     -21.9581      1.00000
      4     -21.4056      1.00000
      5     -21.0510      1.00000
      6     -21.0150      1.00000
      7     -20.5018      1.00000
      8     -20.4624      1.00000
      9     -20.2960      1.00000
     10     -20.2767      1.00000
     11     -19.9586      1.00000
     12     -19.8929      1.00000
     13     -18.8835      1.00000
     14     -18.8147      1.00000
     15     -18.3537      1.00000
     16     -18.3075      1.00000
     17     -18.1539      1.00000
     18     -18.1367      1.00000
     19     -17.8275      1.00000
     20     -17.7900      1.00000
     21     -17.2524      1.00000
     22     -17.2424      1.00000
     23     -17.1654      1.00000
     24     -17.1336      1.00000
     25     -16.1109      1.00000
     26     -15.8864      1.00000
     27     -15.8710      1.00000
     28     -15.8349      1.00000
     29     -15.2370      1.00000
     30     -14.5558      1.00000
     31     -14.5279      1.00000
     32     -14.2807      1.00000
     33     -13.9643      1.00000
     34     -13.9568      1.00000
     35     -13.8207      1.00000
     36     -13.8050      1.00000
     37     -13.6153      1.00000
     38     -13.5715      1.00000
     39     -13.3709      1.00000
     40     -12.6353      1.00000
     41     -12.1815      1.00000
     42     -12.1335      1.00000
     43     -12.0729      1.00000
     44     -12.0206      1.00000
     45     -11.6700      1.00000
     46     -11.6565      1.00000
     47     -11.1394      1.00000
     48     -11.1188      1.00000
     49     -10.7953      1.00000
     50     -10.7318      1.00000
     51     -10.5294      1.00000
     52     -10.2090      1.00000
     53     -10.2063      1.00000
     54     -10.1653      1.00000
     55     -10.0182      1.00000
     56     -10.0048      1.00000
     57      -9.9912      1.00000
     58      -9.8017      1.00000
     59      -9.7979      1.00000
     60      -9.7626      1.00000
     61      -9.7578      1.00000
     62      -9.4551      1.00000
     63      -9.4179      1.00000
     64      -9.0810      1.00000
     65      -9.0727      1.00000
     66      -9.0411      1.00000
     67      -8.9557      1.00000
     68      -8.8778      1.00000
     69      -8.7125      1.00000
     70      -8.7002      1.00000
     71      -8.5663      1.00000
     72      -8.5434      1.00000
     73      -8.4997      1.00000
     74      -8.4629      1.00000
     75      -8.4537      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0437      1.00000
     79      -7.9159      1.00000
     80      -7.8635      1.00000
     81      -7.6151      1.00000
     82      -7.5488      1.00000
     83      -7.4901      1.00000
     84      -7.2680      1.00000
     85      -6.9953      1.00000
     86      -6.9231      1.00000
     87      -6.8821      1.00000
     88      -6.5326      1.00000
     89      -6.4873      1.00000
     90      -6.4614      1.00000
     91      -6.4104      1.00000
     92      -5.9840      1.00000
     93      -5.8976      1.00000
     94      -5.7847      1.00000
     95      -5.7597      1.00000
     96      -5.4322      1.00000
     97      -5.3293      1.00000
     98      -5.2303      1.00000
     99      -5.2178      1.00000
    100      -5.1884      1.00000
    101      -4.6922      1.00000
    102      -4.4215      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5291      1.00000
    106      -3.2741      1.00000
    107      -2.5311      0.00000
    108      -1.4580      0.00000
    109      -1.2666      0.00000
    110      -1.2028      0.00000
    111      -1.1724      0.00000
    112      -0.7195      0.00000
    113      -0.5034      0.00000
    114      -0.4118      0.00000
    115      -0.3394      0.00000
    116      -0.1458      0.00000
    117      -0.0027      0.00000
    118       0.1939      0.00000
    119       0.5613      0.00000
    120       0.6126      0.00000
    121       0.7950      0.00000
    122       0.9052      0.00000
    123       1.1307      0.00000
    124       1.4904      0.00000
    125       1.6329      0.00000
    126       1.8476      0.00000
    127       1.9244      0.00000
    128       2.1026      0.00000
    129       2.1125      0.00000
    130       2.1609      0.00000
    131       2.1923      0.00000
    132       2.2799      0.00000
    133       2.3442      0.00000
    134       2.4736      0.00000
    135       2.5832      0.00000
    136       2.6556      0.00000
    137       2.8521      0.00000
    138       2.8711      0.00000
    139       2.8920      0.00000
    140       3.0091      0.00000
    141       3.0185      0.00000
    142       3.1377      0.00000
    143       3.1881      0.00000
    144       3.2300      0.00000
    145       3.2715      0.00000
    146       3.2825      0.00000
    147       3.2994      0.00000
    148       3.3451      0.00000
    149       3.4215      0.00000
    150       3.4460      0.00000
    151       3.5517      0.00000
    152       3.6229      0.00000
    153       3.7159      0.00000
    154       3.7374      0.00000
    155       3.7698      0.00000
    156       3.8933      0.00000
    157       3.9371      0.00000
    158       4.0020      0.00000
    159       4.1261      0.00000
    160       4.2192      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3186      1.00000
      2     -21.9656      1.00000
      3     -21.8934      1.00000
      4     -21.3858      1.00000
      5     -21.3494      1.00000
      6     -20.8406      1.00000
      7     -20.7742      1.00000
      8     -20.6261      1.00000
      9     -20.0906      1.00000
     10     -20.0618      1.00000
     11     -19.7194      1.00000
     12     -19.6906      1.00000
     13     -19.0107      1.00000
     14     -18.9796      1.00000
     15     -18.6506      1.00000
     16     -18.6179      1.00000
     17     -18.4615      1.00000
     18     -17.6612      1.00000
     19     -17.6475      1.00000
     20     -17.6113      1.00000
     21     -17.5788      1.00000
     22     -17.1379      1.00000
     23     -17.0980      1.00000
     24     -16.9663      1.00000
     25     -16.0086      1.00000
     26     -15.9238      1.00000
     27     -15.5997      1.00000
     28     -15.5761      1.00000
     29     -15.2802      1.00000
     30     -14.8773      1.00000
     31     -14.8303      1.00000
     32     -14.5752      1.00000
     33     -14.5374      1.00000
     34     -14.1643      1.00000
     35     -14.1602      1.00000
     36     -13.1626      1.00000
     37     -13.0968      1.00000
     38     -13.0237      1.00000
     39     -13.0189      1.00000
     40     -12.7184      1.00000
     41     -12.6951      1.00000
     42     -12.3413      1.00000
     43     -12.3141      1.00000
     44     -11.6317      1.00000
     45     -11.6225      1.00000
     46     -11.5706      1.00000
     47     -10.9411      1.00000
     48     -10.9232      1.00000
     49     -10.6694      1.00000
     50     -10.5900      1.00000
     51     -10.5735      1.00000
     52     -10.5010      1.00000
     53     -10.4896      1.00000
     54     -10.4393      1.00000
     55     -10.3567      1.00000
     56     -10.1044      1.00000
     57      -9.8984      1.00000
     58      -9.6091      1.00000
     59      -9.5519      1.00000
     60      -9.4548      1.00000
     61      -9.4180      1.00000
     62      -9.4098      1.00000
     63      -9.3798      1.00000
     64      -9.3727      1.00000
     65      -9.2680      1.00000
     66      -9.1651      1.00000
     67      -9.1412      1.00000
     68      -9.1158      1.00000
     69      -8.8662      1.00000
     70      -8.8601      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1931      1.00000
     75      -8.1705      1.00000
     76      -8.0761      1.00000
     77      -7.8579      1.00000
     78      -7.8371      1.00000
     79      -7.8241      1.00000
     80      -7.7105      1.00000
     81      -7.6961      1.00000
     82      -7.5977      1.00000
     83      -7.5301      1.00000
     84      -7.3506      1.00000
     85      -7.1679      1.00000
     86      -6.9050      1.00000
     87      -6.8958      1.00000
     88      -6.5927      1.00000
     89      -6.5515      1.00000
     90      -6.4061      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2008      1.00000
     94      -6.0041      1.00000
     95      -5.5319      1.00000
     96      -5.4653      1.00000
     97      -5.3142      1.00000
     98      -5.2096      1.00000
     99      -5.0470      1.00000
    100      -4.7235      1.00000
    101      -4.6716      1.00000
    102      -4.4239      1.00000
    103      -4.1947      1.00000
    104      -3.8428      1.00000
    105      -3.6344      1.00000
    106      -3.4162      1.00000
    107      -2.2924      0.00000
    108      -1.5092      0.00000
    109      -1.2699      0.00000
    110      -1.2622      0.00000
    111      -1.0342      0.00000
    112      -0.9777      0.00000
    113      -0.8680      0.00000
    114      -0.7997      0.00000
    115      -0.2616      0.00000
    116       0.2045      0.00000
    117       0.2396      0.00000
    118       0.3600      0.00000
    119       0.6893      0.00000
    120       0.8941      0.00000
    121       0.9238      0.00000
    122       1.0394      0.00000
    123       1.1654      0.00000
    124       1.5081      0.00000
    125       1.5557      0.00000
    126       1.7087      0.00000
    127       1.7786      0.00000
    128       1.8339      0.00000
    129       1.9650      0.00000
    130       1.9819      0.00000
    131       2.1876      0.00000
    132       2.2572      0.00000
    133       2.4115      0.00000
    134       2.4754      0.00000
    135       2.5361      0.00000
    136       2.6003      0.00000
    137       2.6188      0.00000
    138       2.6968      0.00000
    139       2.7525      0.00000
    140       2.8594      0.00000
    141       3.0333      0.00000
    142       3.0764      0.00000
    143       3.1893      0.00000
    144       3.2489      0.00000
    145       3.2655      0.00000
    146       3.2977      0.00000
    147       3.3481      0.00000
    148       3.4496      0.00000
    149       3.5169      0.00000
    150       3.6902      0.00000
    151       3.7168      0.00000
    152       3.7499      0.00000
    153       3.8300      0.00000
    154       3.8910      0.00000
    155       3.9277      0.00000
    156       3.9765      0.00000
    157       4.0070      0.00000
    158       4.0449      0.00000
    159       4.0496      0.00000
    160       4.0868      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3908      1.00000
      2     -21.8320      1.00000
      3     -21.6426      1.00000
      4     -21.6076      1.00000
      5     -21.2799      1.00000
      6     -21.2329      1.00000
      7     -21.0576      1.00000
      8     -20.1725      1.00000
      9     -20.1263      1.00000
     10     -19.6178      1.00000
     11     -19.5916      1.00000
     12     -19.4166      1.00000
     13     -19.0955      1.00000
     14     -19.0568      1.00000
     15     -19.0524      1.00000
     16     -19.0397      1.00000
     17     -18.3675      1.00000
     18     -18.3478      1.00000
     19     -18.0175      1.00000
     20     -17.0730      1.00000
     21     -17.0242      1.00000
     22     -16.9502      1.00000
     23     -16.9364      1.00000
     24     -16.4752      1.00000
     25     -16.4633      1.00000
     26     -15.6100      1.00000
     27     -15.6095      1.00000
     28     -15.2504      1.00000
     29     -15.2383      1.00000
     30     -15.1922      1.00000
     31     -15.1021      1.00000
     32     -15.0691      1.00000
     33     -14.6987      1.00000
     34     -14.6977      1.00000
     35     -13.7253      1.00000
     36     -13.7252      1.00000
     37     -13.2358      1.00000
     38     -12.6246      1.00000
     39     -12.5805      1.00000
     40     -12.4554      1.00000
     41     -12.4501      1.00000
     42     -12.1052      1.00000
     43     -12.1002      1.00000
     44     -11.7218      1.00000
     45     -11.6832      1.00000
     46     -11.2455      1.00000
     47     -11.2248      1.00000
     48     -11.0181      1.00000
     49     -11.0064      1.00000
     50     -10.9279      1.00000
     51     -10.8993      1.00000
     52     -10.6376      1.00000
     53     -10.1728      1.00000
     54     -10.1499      1.00000
     55     -10.0851      1.00000
     56      -9.9926      1.00000
     57      -9.6965      1.00000
     58      -9.6900      1.00000
     59      -9.6709      1.00000
     60      -9.5914      1.00000
     61      -9.5673      1.00000
     62      -9.5542      1.00000
     63      -9.3131      1.00000
     64      -9.3004      1.00000
     65      -9.2837      1.00000
     66      -9.2429      1.00000
     67      -9.1226      1.00000
     68      -9.1129      1.00000
     69      -9.1112      1.00000
     70      -8.9400      1.00000
     71      -8.8751      1.00000
     72      -8.6048      1.00000
     73      -8.5860      1.00000
     74      -8.2712      1.00000
     75      -8.1015      1.00000
     76      -7.8674      1.00000
     77      -7.8439      1.00000
     78      -7.7907      1.00000
     79      -7.7649      1.00000
     80      -7.7559      1.00000
     81      -7.4473      1.00000
     82      -7.3349      1.00000
     83      -7.3234      1.00000
     84      -7.2663      1.00000
     85      -7.1628      1.00000
     86      -7.0147      1.00000
     87      -6.9867      1.00000
     88      -6.7179      1.00000
     89      -6.6907      1.00000
     90      -6.6318      1.00000
     91      -6.5907      1.00000
     92      -6.1178      1.00000
     93      -6.0589      1.00000
     94      -6.0448      1.00000
     95      -6.0284      1.00000
     96      -5.7480      1.00000
     97      -4.9747      1.00000
     98      -4.8396      1.00000
     99      -4.7090      1.00000
    100      -4.6734      1.00000
    101      -4.4836      1.00000
    102      -4.3522      1.00000
    103      -4.1119      1.00000
    104      -4.0555      1.00000
    105      -3.7549      1.00000
    106      -3.4654      1.00000
    107      -1.9505      0.00000
    108      -1.7710      0.00000
    109      -1.4797      0.00000
    110      -1.3554      0.00000
    111      -1.3358      0.00000
    112      -1.2925      0.00000
    113      -0.6785      0.00000
    114      -0.4718      0.00000
    115      -0.2353      0.00000
    116       0.0516      0.00000
    117       0.5857      0.00000
    118       0.6925      0.00000
    119       0.7701      0.00000
    120       1.0226      0.00000
    121       1.0971      0.00000
    122       1.1761      0.00000
    123       1.2496      0.00000
    124       1.3333      0.00000
    125       1.4310      0.00000
    126       1.5945      0.00000
    127       1.7664      0.00000
    128       1.8418      0.00000
    129       1.8611      0.00000
    130       1.8867      0.00000
    131       2.0481      0.00000
    132       2.2157      0.00000
    133       2.2286      0.00000
    134       2.2821      0.00000
    135       2.4781      0.00000
    136       2.6136      0.00000
    137       2.6476      0.00000
    138       2.7472      0.00000
    139       2.7916      0.00000
    140       2.8362      0.00000
    141       2.8466      0.00000
    142       2.8803      0.00000
    143       2.9542      0.00000
    144       3.0791      0.00000
    145       3.3158      0.00000
    146       3.3569      0.00000
    147       3.4093      0.00000
    148       3.4216      0.00000
    149       3.4235      0.00000
    150       3.5963      0.00000
    151       3.6547      0.00000
    152       3.6706      0.00000
    153       3.7266      0.00000
    154       3.8922      0.00000
    155       3.9225      0.00000
    156       3.9571      0.00000
    157       4.1103      0.00000
    158       4.2050      0.00000
    159       4.2482      0.00000
    160       4.2812      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2109      1.00000
      2     -22.1202      1.00000
      3     -21.9578      1.00000
      4     -21.4057      1.00000
      5     -21.0471      1.00000
      6     -21.0188      1.00000
      7     -20.4970      1.00000
      8     -20.4671      1.00000
      9     -20.2872      1.00000
     10     -20.2852      1.00000
     11     -19.9575      1.00000
     12     -19.8944      1.00000
     13     -18.8841      1.00000
     14     -18.8165      1.00000
     15     -18.3385      1.00000
     16     -18.3195      1.00000
     17     -18.1498      1.00000
     18     -18.1423      1.00000
     19     -17.8165      1.00000
     20     -17.7985      1.00000
     21     -17.2586      1.00000
     22     -17.2390      1.00000
     23     -17.1607      1.00000
     24     -17.1359      1.00000
     25     -16.1174      1.00000
     26     -15.8811      1.00000
     27     -15.8700      1.00000
     28     -15.8408      1.00000
     29     -15.2313      1.00000
     30     -14.5512      1.00000
     31     -14.5328      1.00000
     32     -14.2759      1.00000
     33     -13.9755      1.00000
     34     -13.9518      1.00000
     35     -13.8252      1.00000
     36     -13.8029      1.00000
     37     -13.6043      1.00000
     38     -13.5791      1.00000
     39     -13.3711      1.00000
     40     -12.6395      1.00000
     41     -12.1690      1.00000
     42     -12.1427      1.00000
     43     -12.0684      1.00000
     44     -12.0216      1.00000
     45     -11.6654      1.00000
     46     -11.6607      1.00000
     47     -11.1367      1.00000
     48     -11.1257      1.00000
     49     -10.7904      1.00000
     50     -10.7343      1.00000
     51     -10.5361      1.00000
     52     -10.2089      1.00000
     53     -10.2027      1.00000
     54     -10.1710      1.00000
     55     -10.0232      1.00000
     56      -9.9948      1.00000
     57      -9.9906      1.00000
     58      -9.8054      1.00000
     59      -9.7964      1.00000
     60      -9.7648      1.00000
     61      -9.7568      1.00000
     62      -9.4543      1.00000
     63      -9.4178      1.00000
     64      -9.0851      1.00000
     65      -9.0462      1.00000
     66      -9.0259      1.00000
     67      -8.9696      1.00000
     68      -8.8981      1.00000
     69      -8.7085      1.00000
     70      -8.6993      1.00000
     71      -8.5598      1.00000
     72      -8.5491      1.00000
     73      -8.4781      1.00000
     74      -8.4597      1.00000
     75      -8.4570      1.00000
     76      -8.3087      1.00000
     77      -8.0954      1.00000
     78      -8.0896      1.00000
     79      -7.9268      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5367      1.00000
     83      -7.4437      1.00000
     84      -7.3142      1.00000
     85      -6.9941      1.00000
     86      -6.9194      1.00000
     87      -6.8824      1.00000
     88      -6.5275      1.00000
     89      -6.5148      1.00000
     90      -6.4807      1.00000
     91      -6.4207      1.00000
     92      -5.9272      1.00000
     93      -5.9053      1.00000
     94      -5.7889      1.00000
     95      -5.7750      1.00000
     96      -5.3694      1.00000
     97      -5.3632      1.00000
     98      -5.2204      1.00000
     99      -5.2154      1.00000
    100      -5.1988      1.00000
    101      -4.7203      1.00000
    102      -4.4423      1.00000
    103      -4.1908      1.00000
    104      -3.8204      1.00000
    105      -3.5654      1.00000
    106      -3.2214      1.00000
    107      -2.5625      0.00000
    108      -1.4631      0.00000
    109      -1.2672      0.00000
    110      -1.1851      0.00000
    111      -1.1836      0.00000
    112      -0.6447      0.00000
    113      -0.5513      0.00000
    114      -0.4146      0.00000
    115      -0.3473      0.00000
    116      -0.0776      0.00000
    117      -0.0632      0.00000
    118       0.1259      0.00000
    119       0.5932      0.00000
    120       0.6264      0.00000
    121       0.8535      0.00000
    122       0.9837      0.00000
    123       1.0022      0.00000
    124       1.4927      0.00000
    125       1.6819      0.00000
    126       1.7591      0.00000
    127       1.8567      0.00000
    128       2.1086      0.00000
    129       2.1548      0.00000
    130       2.1929      0.00000
    131       2.2103      0.00000
    132       2.2587      0.00000
    133       2.3582      0.00000
    134       2.4923      0.00000
    135       2.5193      0.00000
    136       2.6616      0.00000
    137       2.8526      0.00000
    138       2.8589      0.00000
    139       2.9514      0.00000
    140       2.9957      0.00000
    141       3.0330      0.00000
    142       3.1333      0.00000
    143       3.2019      0.00000
    144       3.2433      0.00000
    145       3.2456      0.00000
    146       3.2789      0.00000
    147       3.3020      0.00000
    148       3.3533      0.00000
    149       3.4211      0.00000
    150       3.5477      0.00000
    151       3.5642      0.00000
    152       3.6443      0.00000
    153       3.6633      0.00000
    154       3.7117      0.00000
    155       3.7338      0.00000
    156       3.8952      0.00000
    157       3.9578      0.00000
    158       4.0330      0.00000
    159       4.0713      0.00000
    160       4.1799      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2844      1.00000
      2     -22.0798      1.00000
      3     -21.7214      1.00000
      4     -21.6822      1.00000
      5     -20.9839      1.00000
      6     -20.9361      1.00000
      7     -20.6124      1.00000
      8     -20.5802      1.00000
      9     -20.5666      1.00000
     10     -20.0332      1.00000
     11     -19.5142      1.00000
     12     -19.4841      1.00000
     13     -19.3122      1.00000
     14     -19.2992      1.00000
     15     -18.4505      1.00000
     16     -18.4073      1.00000
     17     -17.9282      1.00000
     18     -17.9078      1.00000
     19     -17.7667      1.00000
     20     -17.7217      1.00000
     21     -17.4422      1.00000
     22     -17.4237      1.00000
     23     -17.3388      1.00000
     24     -16.4713      1.00000
     25     -16.4611      1.00000
     26     -15.9713      1.00000
     27     -15.4114      1.00000
     28     -15.4104      1.00000
     29     -15.0963      1.00000
     30     -15.0933      1.00000
     31     -14.8534      1.00000
     32     -14.8411      1.00000
     33     -14.2984      1.00000
     34     -14.2546      1.00000
     35     -13.4447      1.00000
     36     -13.4009      1.00000
     37     -13.1754      1.00000
     38     -13.1740      1.00000
     39     -12.9864      1.00000
     40     -12.9774      1.00000
     41     -12.6109      1.00000
     42     -12.6088      1.00000
     43     -12.1973      1.00000
     44     -11.5797      1.00000
     45     -11.5386      1.00000
     46     -11.3136      1.00000
     47     -11.2833      1.00000
     48     -11.1424      1.00000
     49     -10.6925      1.00000
     50     -10.6631      1.00000
     51     -10.5474      1.00000
     52     -10.3227      1.00000
     53     -10.3150      1.00000
     54     -10.1761      1.00000
     55     -10.1213      1.00000
     56     -10.1080      1.00000
     57      -9.8119      1.00000
     58      -9.7529      1.00000
     59      -9.7524      1.00000
     60      -9.7026      1.00000
     61      -9.6987      1.00000
     62      -9.6473      1.00000
     63      -9.3529      1.00000
     64      -9.3515      1.00000
     65      -9.3178      1.00000
     66      -9.0282      1.00000
     67      -8.9618      1.00000
     68      -8.9580      1.00000
     69      -8.7758      1.00000
     70      -8.5915      1.00000
     71      -8.5885      1.00000
     72      -8.4240      1.00000
     73      -8.3499      1.00000
     74      -8.3224      1.00000
     75      -8.3023      1.00000
     76      -8.2657      1.00000
     77      -8.2540      1.00000
     78      -8.2393      1.00000
     79      -7.9216      1.00000
     80      -7.7341      1.00000
     81      -7.3798      1.00000
     82      -7.3502      1.00000
     83      -7.3236      1.00000
     84      -7.2175      1.00000
     85      -7.1604      1.00000
     86      -7.0654      1.00000
     87      -6.9609      1.00000
     88      -6.9053      1.00000
     89      -6.6132      1.00000
     90      -6.5568      1.00000
     91      -6.2708      1.00000
     92      -5.9967      1.00000
     93      -5.9595      1.00000
     94      -5.6753      1.00000
     95      -5.6487      1.00000
     96      -5.3875      1.00000
     97      -5.3151      1.00000
     98      -5.2940      1.00000
     99      -5.2120      1.00000
    100      -5.2004      1.00000
    101      -4.5115      1.00000
    102      -4.3387      1.00000
    103      -3.9965      1.00000
    104      -3.8859      1.00000
    105      -3.7928      1.00000
    106      -3.4433      1.00000
    107      -2.0344      0.00000
    108      -1.8633      0.00000
    109      -1.2175      0.00000
    110      -1.1841      0.00000
    111      -1.0357      0.00000
    112      -0.7721      0.00000
    113      -0.6772      0.00000
    114      -0.6598      0.00000
    115      -0.6096      0.00000
    116      -0.1017      0.00000
    117       0.2227      0.00000
    118       0.2397      0.00000
    119       0.7677      0.00000
    120       0.9823      0.00000
    121       1.0737      0.00000
    122       1.2411      0.00000
    123       1.2509      0.00000
    124       1.3396      0.00000
    125       1.5769      0.00000
    126       1.5852      0.00000
    127       1.6975      0.00000
    128       1.7971      0.00000
    129       1.9431      0.00000
    130       1.9560      0.00000
    131       2.0930      0.00000
    132       2.3016      0.00000
    133       2.3428      0.00000
    134       2.4134      0.00000
    135       2.5395      0.00000
    136       2.6268      0.00000
    137       2.7756      0.00000
    138       2.8358      0.00000
    139       2.8407      0.00000
    140       2.8633      0.00000
    141       3.0412      0.00000
    142       3.0973      0.00000
    143       3.1480      0.00000
    144       3.2179      0.00000
    145       3.3751      0.00000
    146       3.4137      0.00000
    147       3.4994      0.00000
    148       3.5423      0.00000
    149       3.5904      0.00000
    150       3.6071      0.00000
    151       3.6444      0.00000
    152       3.7333      0.00000
    153       3.7425      0.00000
    154       3.7782      0.00000
    155       3.8251      0.00000
    156       3.8792      0.00000
    157       4.0240      0.00000
    158       4.0832      0.00000
    159       4.1647      0.00000
    160       4.2073      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0416   -7.3901    4.1982   -1.2758   -0.2386   17.5938    0.1473   -0.5324    0.6337   -0.4648
x    -3.0926   -0.0374   -0.0631    0.0616   -0.0091   -2.9773   -0.0109   -0.0070    0.0049    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0416    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0939   -0.0087    0.0374    0.0377
y    -0.0458   -3.2478   -0.5380   -0.1636   -1.1810   -0.6054
z   204.0416    1.1261   -0.2804    0.0408    0.0089    0.0616    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0777    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1655
z    -0.2831    0.1873   -0.0390    0.0470   -0.1050    0.0013
 total charge-density along one line
x   212.0000  -10.2204    6.1462   -2.0858   -0.4744   19.5111   -0.9960    0.4742   -0.0449   -0.1261
x    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2204    6.1462   -2.0858   -0.4744   19.5111   -0.9960    0.4742   -0.0449   -0.1261
y    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4925  189.2922 -170.3681  153.6513 -139.4381  125.4344 -110.1208   93.9740  -78.3599
z    64.1506  -51.4982   40.4330  -31.2277   24.1315  -18.9490   15.0355  -11.7223    8.7177   -6.1228
z     4.1325   -2.7607    1.8233   -1.1125    0.5410   -0.1280   -0.1104    0.2272   -0.3090    0.3999
z    -0.4767    0.4932   -0.4398    0.3547   -0.2860    0.2512   -0.2335    0.2088   -0.1709    0.1317
z    -0.1037    0.0880   -0.0768    0.0637   -0.0490    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0074    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.030   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.585  -0.238   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.368  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.263   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.261   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.649
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.781   0.000   2.640
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.783   0.000   2.647
 28        0.864   1.785   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.785   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.646
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.860   1.781   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.649
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.870  89.435   8.029 142.334
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  113.73: CPU time   57.54
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  438.08: CPU time  220.37
    STRESS:  VPU time 1323.37: CPU time  665.83
    FORCOR:  VPU time    8.64: CPU time    8.64
    FORHAR:  VPU time    2.26: CPU time    2.26
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force =-0.6359916E-06[-0.639E-06,-0.633E-06]  d Energy = 0.1482247E-05-0.212E-05
 d Force =-0.3193134E-01[-0.319E-01,-0.319E-01]  d Ewald  = 0.2835884E+00-0.316E+00


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726417 eV

  energy  without entropy=     -471.726417  energy(sigma->0) =     -471.726417
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40850.32  40804.81 -47549.15    -39.41      0.00      0.00
  Hartree  40274.30  40255.21 -39533.06    -16.53      0.00      0.00
  E(xc)     -779.46   -779.75   -807.40     -0.25      0.00      0.00
  Local   -83408.60 -83353.03  84396.93     48.13      0.00      0.00
  n-local   -216.85   -215.73   -203.41      0.70      0.00      0.00
  augment     20.05     22.04     17.81      1.73      0.00      0.00
  Kinetic   3162.58   3176.30   3584.10      3.53      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.01      0.05     -0.24      0.04      0.00      0.00
  in kB        0.01      0.03     -0.14      0.02      0.00      0.00
  external pressure =       -0.04 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345123299  0.000680107  0.000000000     0.081001070  0.046760107  0.000000000
    -6.171979301 10.691526522  0.000000000    -0.000005153  0.093529039  0.000000000
     0.000000000  0.000000000 19.986465871     0.000000000  0.000000000  0.050033858

  length of vectors
    12.345123318 12.345123242 19.986465871     0.093529038  0.093529039  0.050033858


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.477E-05 -.490E-04 -.951E+03   0.448E-05 -.278E-04 0.960E+03   -.254E-20 0.180E-23 -.868E+01   0.627E-09 0.382E-10 -.946E-03
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   -.203E-04 0.110E-04 -.716E-06
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   0.203E-04 -.110E-04 -.716E-06
   -.206E+01 0.119E+01 0.163E+02   0.206E+01 -.119E+01 -.162E+02   -.329E-02 0.190E-02 -.242E-01   0.767E-04 -.473E-04 0.179E-04
   0.616E+01 0.684E+01 0.194E+02   -.616E+01 -.686E+01 -.193E+02   0.874E-03 0.214E-01 -.272E-01   -.896E-04 0.147E-03 0.234E-05
   0.112E+02 0.509E+01 0.162E+02   -.112E+02 -.510E+01 -.161E+02   0.203E-01 0.851E-02 -.479E-01   0.246E-04 -.672E-04 -.288E-04
   0.471E+01 -.883E+00 0.126E+02   -.473E+01 0.892E+00 -.126E+02   0.146E-01 -.734E-02 -.176E-01   -.237E-04 0.115E-06 -.625E-04
   -.308E+01 -.252E+01 0.126E+02   0.308E+01 0.252E+01 -.126E+02   -.152E-02 0.274E-02 -.130E-01   0.344E-04 -.344E-04 -.880E-05
   0.646E+00 0.393E+01 0.126E+02   -.647E+00 -.393E+01 -.126E+02   -.313E-02 -.569E-04 -.130E-01   0.414E-04 -.188E-04 -.121E-04
   0.242E+01 0.189E+02 0.240E+02   -.242E+01 -.190E+02 -.240E+02   -.235E-02 0.103E+00 -.486E-01   -.675E-04 -.160E-03 -.385E-04
   0.226E+02 0.214E+02 0.423E+02   -.227E+02 -.216E+02 -.422E+02   0.771E-01 0.262E+00 -.608E-01   0.217E-03 -.609E-04 -.982E-04
   0.268E+02 -.343E+01 0.256E+02   -.271E+02 0.354E+01 -.256E+02   0.269E+00 -.109E+00 -.338E-01   -.865E-04 0.207E-04 -.632E-04
   0.914E+01 -.527E+01 0.136E+02   -.918E+01 0.530E+01 -.136E+02   0.421E-01 -.243E-01 -.120E-01   -.866E-04 0.436E-04 0.155E-05
   0.312E+01 -.364E+01 0.126E+02   -.314E+01 0.365E+01 -.126E+02   0.137E-01 -.899E-02 -.176E-01   -.142E-04 0.162E-04 -.701E-04
   -.593E+01 0.136E+02 0.161E+02   0.593E+01 -.137E+02 -.161E+02   -.113E-02 0.715E-01 -.520E-01   0.261E-04 0.749E-04 -.505E-04
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.314E-01 0.613E+00 0.294E+00   -.361E-04 0.589E-04 -.158E-03
   0.236E+02 -.136E+02 0.940E+02   -.243E+02 0.140E+02 -.961E+02   0.636E+00 -.367E+00 0.205E+01   -.444E-05 -.108E-06 -.190E-03
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.229E+00 -.178E+00 -.338E-01   -.634E-04 0.569E-04 -.676E-04
   0.119E+01 -.122E+02 0.162E+02   -.119E+01 0.123E+02 -.161E+02   0.277E-02 -.218E-01 -.479E-01   0.737E-04 0.111E-04 -.337E-04
   -.414E+01 0.192E+01 0.116E+02   0.414E+01 -.193E+01 -.116E+02   -.246E-03 0.992E-02 -.439E-01   0.692E-04 -.244E-04 -.272E-04
   -.193E+02 0.111E+02 0.217E+02   0.193E+02 -.112E+02 -.217E+02   -.505E-01 0.291E-01 -.433E-01   -.598E-04 0.383E-04 -.108E-04
   -.373E+02 -.785E+01 0.478E+02   0.378E+02 0.813E+01 -.481E+02   -.546E+00 -.279E+00 0.294E+00   -.657E-04 0.108E-05 -.156E-03
   -.718E+01 -.303E+02 0.423E+02   0.736E+01 0.305E+02 -.422E+02   -.189E+00 -.198E+00 -.608E-01   0.165E-03 -.162E-03 -.999E-04
   -.285E+01 -.876E+01 0.194E+02   0.286E+01 0.877E+01 -.193E+02   -.181E-01 -.115E-01 -.272E-01   -.170E-03 0.234E-05 0.168E-05
   0.139E+01 -.801E+00 0.134E+02   -.139E+01 0.803E+00 -.134E+02   0.721E-04 -.416E-04 -.179E-01   0.677E-04 -.370E-04 0.927E-05
   -.374E+01 0.262E+01 0.116E+02   0.374E+01 -.262E+01 -.116E+02   -.871E-02 -.475E-02 -.439E-01   0.576E-04 -.429E-04 -.229E-04
   -.148E+02 -.169E+01 0.161E+02   0.148E+02 0.172E+01 -.161E+02   -.625E-01 -.348E-01 -.520E-01   -.499E-04 -.616E-04 -.436E-04
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.906E-01 -.496E-01 -.486E-01   0.106E-03 0.133E-03 -.359E-04
   0.285E+01 0.876E+01 0.194E+02   -.286E+01 -.877E+01 -.193E+02   0.181E-01 0.115E-01 -.272E-01   0.170E-03 -.234E-05 0.167E-05
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.906E-01 0.496E-01 -.486E-01   -.106E-03 -.133E-03 -.359E-04
   0.148E+02 0.169E+01 0.161E+02   -.148E+02 -.172E+01 -.161E+02   0.625E-01 0.348E-01 -.520E-01   0.499E-04 0.616E-04 -.436E-04
   0.374E+01 -.262E+01 0.116E+02   -.374E+01 0.262E+01 -.116E+02   0.871E-02 0.475E-02 -.439E-01   -.576E-04 0.429E-04 -.229E-04
   -.139E+01 0.801E+00 0.134E+02   0.139E+01 -.803E+00 -.134E+02   -.721E-04 0.416E-04 -.179E-01   -.677E-04 0.370E-04 0.927E-05
   -.119E+01 0.122E+02 0.162E+02   0.119E+01 -.123E+02 -.161E+02   -.277E-02 0.218E-01 -.479E-01   -.737E-04 -.112E-04 -.337E-04
   0.718E+01 0.303E+02 0.423E+02   -.736E+01 -.305E+02 -.422E+02   0.189E+00 0.198E+00 -.608E-01   -.165E-03 0.162E-03 -.999E-04
   0.373E+02 0.785E+01 0.478E+02   -.378E+02 -.813E+01 -.481E+02   0.546E+00 0.279E+00 0.294E+00   0.657E-04 -.109E-05 -.156E-03
   0.193E+02 -.111E+02 0.217E+02   -.193E+02 0.112E+02 -.217E+02   0.505E-01 -.291E-01 -.433E-01   0.598E-04 -.383E-04 -.108E-04
   0.414E+01 -.192E+01 0.116E+02   -.414E+01 0.193E+01 -.116E+02   0.246E-03 -.992E-02 -.439E-01   -.692E-04 0.244E-04 -.272E-04
   -.312E+01 0.364E+01 0.126E+02   0.314E+01 -.365E+01 -.126E+02   -.137E-01 0.899E-02 -.176E-01   0.142E-04 -.162E-04 -.701E-04
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.229E+00 0.178E+00 -.338E-01   0.634E-04 -.569E-04 -.676E-04
   -.236E+02 0.136E+02 0.940E+02   0.243E+02 -.140E+02 -.961E+02   -.636E+00 0.367E+00 0.205E+01   0.444E-05 0.107E-06 -.190E-03
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.314E-01 -.613E+00 0.294E+00   0.361E-04 -.589E-04 -.158E-03
   0.593E+01 -.136E+02 0.161E+02   -.593E+01 0.137E+02 -.161E+02   0.113E-02 -.715E-01 -.520E-01   -.261E-04 -.749E-04 -.505E-04
   -.646E+00 -.393E+01 0.126E+02   0.647E+00 0.393E+01 -.126E+02   0.313E-02 0.569E-04 -.130E-01   -.414E-04 0.188E-04 -.121E-04
   -.914E+01 0.527E+01 0.136E+02   0.918E+01 -.530E+01 -.136E+02   -.421E-01 0.243E-01 -.120E-01   0.866E-04 -.436E-04 0.155E-05
   -.268E+02 0.343E+01 0.256E+02   0.271E+02 -.354E+01 -.256E+02   -.269E+00 0.109E+00 -.338E-01   0.865E-04 -.207E-04 -.632E-04
   -.226E+02 -.214E+02 0.423E+02   0.227E+02 0.216E+02 -.422E+02   -.771E-01 -.262E+00 -.608E-01   -.217E-03 0.609E-04 -.982E-04
   -.242E+01 -.189E+02 0.240E+02   0.242E+01 0.190E+02 -.240E+02   0.235E-02 -.103E+00 -.486E-01   0.675E-04 0.160E-03 -.385E-04
   0.206E+01 -.119E+01 0.163E+02   -.206E+01 0.119E+01 -.162E+02   0.329E-02 -.190E-02 -.242E-01   -.767E-04 0.473E-04 0.179E-04
   0.308E+01 0.252E+01 0.126E+02   -.308E+01 -.252E+01 -.126E+02   0.152E-02 -.274E-02 -.130E-01   -.344E-04 0.344E-04 -.880E-05
   -.471E+01 0.883E+00 0.126E+02   0.473E+01 -.892E+00 -.126E+02   -.146E-01 0.734E-02 -.176E-01   0.237E-04 -.114E-06 -.625E-04
   -.112E+02 -.509E+01 0.162E+02   0.112E+02 0.510E+01 -.161E+02   -.203E-01 -.851E-02 -.479E-01   -.246E-04 0.672E-04 -.288E-04
   -.616E+01 -.684E+01 0.194E+02   0.616E+01 0.686E+01 -.193E+02   -.874E-03 -.214E-01 -.272E-01   0.896E-04 -.147E-03 0.234E-05
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.289E-03 0.101E+02   -.322E-12 -.169E-12 0.675E-13   -.584E-15 -.184E-15 -.100E+02   0.400E-08 -.242E-08 -.344E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85210      6.05883     12.26478         0.000000      0.000000      0.023169
      1.07497      6.50750     13.52428         0.001525     -0.000880      0.008922
      2.62923      5.61015     13.52428        -0.001525      0.000880      0.008922
      0.00015     -0.00009      9.91086        -0.002365      0.001365      0.000103
     -1.23474      2.13683      9.90951        -0.000360      0.001489      0.000023
     -2.46994      4.27633      9.92949        -0.002679      0.002373     -0.000433
     -3.70363      6.41500      9.93720        -0.002082      0.001492     -0.000979
     -4.93734      8.55320      9.92777        -0.004327      0.002178     -0.000524
      2.46916     -0.00006      9.92777        -0.004049      0.002658     -0.000524
      1.23392      2.13662      9.91905        -0.003447      0.001562     -0.001298
     -0.00265      4.27070      9.93155        -0.003839      0.003624     -0.002543
     -1.23833      6.41561      9.95365        -0.000198      0.001360     -0.001195
     -2.46890      8.55356      9.93908        -0.001172      0.000677      0.000623
      4.93776      0.00062      9.93720        -0.002333      0.001057     -0.000979
      3.70409      2.13668      9.94050        -0.001558     -0.000566     -0.001354
      2.46984      4.26840      9.96810        -0.003535      0.000997     -0.002559
      1.22909      6.41852      9.97433        -0.004751      0.002743      0.001413
     -0.00210      8.55682      9.95365        -0.001277     -0.000508     -0.001195
      7.40674      0.00154      9.92949        -0.003395      0.001133     -0.000433
      6.17243      2.13876      9.93582        -0.003019      0.001751     -0.000586
      4.93889      4.27667      9.94856         0.000607     -0.000351     -0.000045
      3.71152      6.41906      9.96810        -0.002631      0.002563     -0.002559
      2.47329      8.55915      9.93155        -0.005058      0.001512     -0.002543
      9.87721      0.00158      9.90951        -0.001470     -0.000433      0.000023
      8.64159      2.13891      9.92071        -0.003274      0.001890      0.000293
      7.40714      4.27735      9.93582        -0.003026      0.001740     -0.000586
      6.17477      6.41603      9.94050        -0.000289      0.001633     -0.001354
      4.93974      8.55529      9.91905        -0.003077      0.002204     -0.001298
     -0.00103      1.42455      9.90951         0.001470      0.000433      0.000023
     -1.23554      3.56236      9.91905         0.003077     -0.002204     -0.001298
     -2.47057      5.70162      9.94050         0.000289     -0.001633     -0.001354
     -3.70294      7.84030      9.93582         0.003026     -0.001740     -0.000586
     -4.93740      9.97874      9.92071         0.003274     -0.001890      0.000293
      2.46944      1.42459      9.92949         0.003395     -0.001133     -0.000433
      1.23091      3.55850      9.93155         0.005058     -0.001512     -0.002543
     -0.00733      5.69859      9.96810         0.002631     -0.002563     -0.002559
     -1.23470      7.84099      9.94856        -0.000607      0.000351     -0.000045
     -2.46823      9.97889      9.93582         0.003019     -0.001751     -0.000586
      4.93842      1.42551      9.93720         0.002333     -0.001057     -0.000979
      3.70629      3.56083      9.95365         0.001277      0.000508     -0.001195
      2.47511      5.69913      9.97433         0.004751     -0.002743      0.001413
      1.23436      7.84925      9.96810         0.003535     -0.000997     -0.002559
      0.00011      9.98097      9.94050         0.001558      0.000566     -0.001354
      7.40701      1.42619      9.92777         0.004049     -0.002658     -0.000524
      6.17310      3.56410      9.93908         0.001172     -0.000677      0.000623
      4.94252      5.70204      9.95365         0.000198     -0.001360     -0.001195
      3.70684      7.84696      9.93155         0.003839     -0.003624     -0.002543
      2.47028      9.98104      9.91905         0.003447     -0.001562     -0.001298
      9.87602      1.42621      9.91086         0.002365     -0.001365      0.000103
      8.64154      3.56445      9.92777         0.004327     -0.002178     -0.000524
      7.40783      5.70266      9.93720         0.002082     -0.001492     -0.000979
      6.17414      7.84132      9.92949         0.002679     -0.002373     -0.000433
      4.93894      9.98083      9.90951         0.000360     -0.001489      0.000023
 -----------------------------------------------------------------------------------
    total drift:                               -0.001801      0.000289      0.017166


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.93: CPU time    1.93
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.36
    ORTHCH:  VPU time  181.89: CPU time   91.18
     LOOP+:  VPU time 4950.08: CPU time 2548.96


----------------------------------------- Iteration   28(   1)  ---------------------------------------


    POTLOK:  VPU time    9.15: CPU time    9.08
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 1332.73: CPU time  691.38
 BZINTS: Fermi energy: -3.185513;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  111.57: CPU time   56.54
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1454.02: CPU time  757.54

 eigenvalue-minimisations  :  3880
 total energy-change (2. order) :-0.4717264E+03  (-0.3362907E-06)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583636 magnetization    0.0000007

 Broyden mixing:
  rms(total) = 0.80688E-04    rms(broyden)= 0.80679E-04
  rms(prec ) = 0.90432E-04
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34105.86216836
  -1/2 Hartree   DENC   =    -40996.36993379
  -V(xc)+E(xc)   XCENC  =       726.60595280
  PAW double counting   =      4094.28869461    -4132.63644465
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.91670811
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641718 eV

  energy without entropy =     -471.72641718  energy(sigma->0) =     -471.72641718


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   28(   2)  ---------------------------------------


    POTLOK:  VPU time    9.04: CPU time    9.04
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1335.05: CPU time  690.63
 BZINTS: Fermi energy: -3.185372;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1344.51: CPU time  700.05

 eigenvalue-minimisations  :  3880
 total energy-change (2. order) : 0.4454341E-07  (-0.1071065E-06)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583636 magnetization    0.0000007

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34105.86216836
  -1/2 Hartree   DENC   =    -40996.36108486
  -V(xc)+E(xc)   XCENC  =       726.60569136
  PAW double counting   =      4094.28311608    -4132.63089018
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.92527151
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641714 eV

  energy without entropy =     -471.72641714  energy(sigma->0) =     -471.72641714


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2179       2 -39.5362       3 -39.5363       4 -58.3138       5 -58.3177
       6 -58.3202       7 -58.3148       8 -58.3151       9 -58.3151      10 -58.3215
      11 -58.3877      12 -58.3516      13 -58.3231      14 -58.3148      15 -58.3246
      16 -58.5427      17 -58.7297      18 -58.3517      19 -58.3202      20 -58.3199
      21 -58.3578      22 -58.5427      23 -58.3877      24 -58.3177      25 -58.3229
      26 -58.3199      27 -58.3246      28 -58.3216      29 -58.3176      30 -58.3214
      31 -58.3245      32 -58.3198      33 -58.3228      34 -58.3201      35 -58.3876
      36 -58.5426      37 -58.3577      38 -58.3198      39 -58.3147      40 -58.3515
      41 -58.7296      42 -58.5426      43 -58.3245      44 -58.3150      45 -58.3229
      46 -58.3515      47 -58.3876      48 -58.3215      49 -58.3136      50 -58.3150
      51 -58.3147      52 -58.3201      53 -58.3176
 
 
 
 E-fermi :  -3.1854     XC(G=0):  -2.3429     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4275      1.00000
      2     -21.6043      1.00000
      3     -21.4826      1.00000
      4     -21.4735      1.00000
      5     -21.4419      1.00000
      6     -21.4411      1.00000
      7     -21.4310      1.00000
      8     -19.7084      1.00000
      9     -19.6535      1.00000
     10     -19.6302      1.00000
     11     -19.6192      1.00000
     12     -19.6139      1.00000
     13     -19.6129      1.00000
     14     -18.7906      1.00000
     15     -18.7554      1.00000
     16     -18.7356      1.00000
     17     -18.7261      1.00000
     18     -18.7190      1.00000
     19     -18.7136      1.00000
     20     -16.6353      1.00000
     21     -16.6095      1.00000
     22     -16.5851      1.00000
     23     -16.5817      1.00000
     24     -16.5547      1.00000
     25     -16.5530      1.00000
     26     -15.6153      1.00000
     27     -15.6026      1.00000
     28     -15.5993      1.00000
     29     -15.5652      1.00000
     30     -15.5635      1.00000
     31     -15.5626      1.00000
     32     -14.2603      1.00000
     33     -14.2510      1.00000
     34     -14.2410      1.00000
     35     -14.2360      1.00000
     36     -14.2228      1.00000
     37     -14.2199      1.00000
     38     -11.9060      1.00000
     39     -11.8790      1.00000
     40     -11.8678      1.00000
     41     -11.8657      1.00000
     42     -11.8450      1.00000
     43     -11.8448      1.00000
     44     -11.7715      1.00000
     45     -11.7688      1.00000
     46     -11.7361      1.00000
     47     -11.7294      1.00000
     48     -11.7252      1.00000
     49     -11.7228      1.00000
     50     -10.6766      1.00000
     51     -10.3890      1.00000
     52     -10.3839      1.00000
     53     -10.3770      1.00000
     54     -10.3692      1.00000
     55     -10.3559      1.00000
     56     -10.3538      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4059      1.00000
     60      -9.3629      1.00000
     61      -9.3623      1.00000
     62      -9.3545      1.00000
     63      -9.1425      1.00000
     64      -9.1219      1.00000
     65      -9.1212      1.00000
     66      -9.0848      1.00000
     67      -9.0719      1.00000
     68      -9.0713      1.00000
     69      -9.0711      1.00000
     70      -9.0641      1.00000
     71      -9.0641      1.00000
     72      -9.0384      1.00000
     73      -9.0289      1.00000
     74      -9.0257      1.00000
     75      -8.1301      1.00000
     76      -7.7457      1.00000
     77      -7.4687      1.00000
     78      -7.4666      1.00000
     79      -7.4538      1.00000
     80      -7.4341      1.00000
     81      -7.4246      1.00000
     82      -7.4065      1.00000
     83      -7.3130      1.00000
     84      -7.2712      1.00000
     85      -7.2575      1.00000
     86      -7.2490      1.00000
     87      -7.1507      1.00000
     88      -7.0494      1.00000
     89      -6.4463      1.00000
     90      -6.4161      1.00000
     91      -6.4004      1.00000
     92      -6.3637      1.00000
     93      -6.3530      1.00000
     94      -6.3407      1.00000
     95      -5.9584      1.00000
     96      -5.9581      1.00000
     97      -4.8063      1.00000
     98      -4.5443      1.00000
     99      -4.4814      1.00000
    100      -4.4743      1.00000
    101      -4.3822      1.00000
    102      -4.3816      1.00000
    103      -4.2677      1.00000
    104      -4.1872      1.00000
    105      -3.7392      1.00000
    106      -3.4775      1.00000
    107      -1.8618      0.00000
    108      -1.6705      0.00000
    109      -1.6240      0.00000
    110      -1.5913      0.00000
    111      -1.5758      0.00000
    112      -1.5748      0.00000
    113      -0.4288      0.00000
    114       0.1459      0.00000
    115       0.1921      0.00000
    116       0.2557      0.00000
    117       0.2676      0.00000
    118       0.2715      0.00000
    119       0.4771      0.00000
    120       0.5467      0.00000
    121       1.2465      0.00000
    122       1.2899      0.00000
    123       1.5336      0.00000
    124       1.7703      0.00000
    125       1.7731      0.00000
    126       1.7734      0.00000
    127       1.8061      0.00000
    128       1.8294      0.00000
    129       1.9588      0.00000
    130       1.9685      0.00000
    131       1.9746      0.00000
    132       1.9894      0.00000
    133       1.9965      0.00000
    134       2.0775      0.00000
    135       2.2477      0.00000
    136       2.3473      0.00000
    137       2.6059      0.00000
    138       2.6077      0.00000
    139       2.6339      0.00000
    140       2.7045      0.00000
    141       2.9344      0.00000
    142       3.0522      0.00000
    143       3.0706      0.00000
    144       3.1045      0.00000
    145       3.1054      0.00000
    146       3.1119      0.00000
    147       3.1138      0.00000
    148       3.2738      0.00000
    149       3.4543      0.00000
    150       3.5044      0.00000
    151       3.8234      0.00000
    152       3.9486      0.00000
    153       3.9533      0.00000
    154       3.9566      0.00000
    155       3.9572      0.00000
    156       3.9953      0.00000
    157       4.1894      0.00000
    158       4.2625      0.00000
    159       4.2798      0.00000
    160       4.2840      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8317      1.00000
      3     -21.6394      1.00000
      4     -21.6116      1.00000
      5     -21.2758      1.00000
      6     -21.2364      1.00000
      7     -21.0580      1.00000
      8     -20.1687      1.00000
      9     -20.1305      1.00000
     10     -19.6096      1.00000
     11     -19.5985      1.00000
     12     -19.4181      1.00000
     13     -19.0905      1.00000
     14     -19.0608      1.00000
     15     -19.0497      1.00000
     16     -19.0423      1.00000
     17     -18.3614      1.00000
     18     -18.3530      1.00000
     19     -18.0197      1.00000
     20     -17.0697      1.00000
     21     -17.0310      1.00000
     22     -16.9444      1.00000
     23     -16.9405      1.00000
     24     -16.4684      1.00000
     25     -16.4637      1.00000
     26     -15.6149      1.00000
     27     -15.6080      1.00000
     28     -15.2532      1.00000
     29     -15.2441      1.00000
     30     -15.1853      1.00000
     31     -15.0984      1.00000
     32     -15.0716      1.00000
     33     -14.6991      1.00000
     34     -14.6971      1.00000
     35     -13.7269      1.00000
     36     -13.7244      1.00000
     37     -13.2361      1.00000
     38     -12.6145      1.00000
     39     -12.5843      1.00000
     40     -12.4548      1.00000
     41     -12.4511      1.00000
     42     -12.1096      1.00000
     43     -12.1050      1.00000
     44     -11.7178      1.00000
     45     -11.6869      1.00000
     46     -11.2354      1.00000
     47     -11.2261      1.00000
     48     -11.0181      1.00000
     49     -11.0101      1.00000
     50     -10.9271      1.00000
     51     -10.9057      1.00000
     52     -10.6316      1.00000
     53     -10.1552      1.00000
     54     -10.1512      1.00000
     55     -10.0920      1.00000
     56      -9.9990      1.00000
     57      -9.7032      1.00000
     58      -9.6952      1.00000
     59      -9.6565      1.00000
     60      -9.5921      1.00000
     61      -9.5770      1.00000
     62      -9.5590      1.00000
     63      -9.3073      1.00000
     64      -9.3035      1.00000
     65      -9.2746      1.00000
     66      -9.2369      1.00000
     67      -9.1372      1.00000
     68      -9.1152      1.00000
     69      -9.1116      1.00000
     70      -8.9401      1.00000
     71      -8.8724      1.00000
     72      -8.6045      1.00000
     73      -8.5909      1.00000
     74      -8.2367      1.00000
     75      -8.1005      1.00000
     76      -7.9135      1.00000
     77      -7.8640      1.00000
     78      -7.7717      1.00000
     79      -7.7569      1.00000
     80      -7.6923      1.00000
     81      -7.5606      1.00000
     82      -7.3389      1.00000
     83      -7.3228      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0124      1.00000
     88      -6.7046      1.00000
     89      -6.6783      1.00000
     90      -6.6413      1.00000
     91      -6.5978      1.00000
     92      -6.1158      1.00000
     93      -6.0623      1.00000
     94      -6.0312      1.00000
     95      -6.0115      1.00000
     96      -5.7834      1.00000
     97      -4.9744      1.00000
     98      -4.8321      1.00000
     99      -4.7470      1.00000
    100      -4.6794      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1719      1.00000
    104      -4.1279      1.00000
    105      -3.7295      1.00000
    106      -3.4877      1.00000
    107      -1.8703      0.00000
    108      -1.8088      0.00000
    109      -1.5243      0.00000
    110      -1.3775      0.00000
    111      -1.3213      0.00000
    112      -1.2879      0.00000
    113      -0.7198      0.00000
    114      -0.3759      0.00000
    115      -0.2498      0.00000
    116       0.0370      0.00000
    117       0.5549      0.00000
    118       0.6983      0.00000
    119       0.7463      0.00000
    120       1.0479      0.00000
    121       1.1000      0.00000
    122       1.1492      0.00000
    123       1.2273      0.00000
    124       1.3766      0.00000
    125       1.5224      0.00000
    126       1.5800      0.00000
    127       1.7149      0.00000
    128       1.8178      0.00000
    129       1.8585      0.00000
    130       1.8816      0.00000
    131       2.0969      0.00000
    132       2.1849      0.00000
    133       2.2409      0.00000
    134       2.3049      0.00000
    135       2.5111      0.00000
    136       2.5856      0.00000
    137       2.6456      0.00000
    138       2.7774      0.00000
    139       2.7946      0.00000
    140       2.8262      0.00000
    141       2.8672      0.00000
    142       2.8985      0.00000
    143       2.9488      0.00000
    144       3.0770      0.00000
    145       3.1508      0.00000
    146       3.3204      0.00000
    147       3.3908      0.00000
    148       3.4361      0.00000
    149       3.4639      0.00000
    150       3.6144      0.00000
    151       3.6467      0.00000
    152       3.6678      0.00000
    153       3.7110      0.00000
    154       3.9072      0.00000
    155       3.9626      0.00000
    156       4.0160      0.00000
    157       4.0711      0.00000
    158       4.2330      0.00000
    159       4.2475      0.00000
    160       4.2786      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2848      1.00000
      2     -22.0792      1.00000
      3     -21.7178      1.00000
      4     -21.6860      1.00000
      5     -20.9805      1.00000
      6     -20.9399      1.00000
      7     -20.6129      1.00000
      8     -20.5763      1.00000
      9     -20.5700      1.00000
     10     -20.0336      1.00000
     11     -19.5043      1.00000
     12     -19.4926      1.00000
     13     -19.3077      1.00000
     14     -19.3025      1.00000
     15     -18.4485      1.00000
     16     -18.4118      1.00000
     17     -17.9230      1.00000
     18     -17.9137      1.00000
     19     -17.7623      1.00000
     20     -17.7265      1.00000
     21     -17.4365      1.00000
     22     -17.4292      1.00000
     23     -17.3414      1.00000
     24     -16.4634      1.00000
     25     -16.4623      1.00000
     26     -15.9677      1.00000
     27     -15.4150      1.00000
     28     -15.4095      1.00000
     29     -15.0972      1.00000
     30     -15.0938      1.00000
     31     -14.8554      1.00000
     32     -14.8478      1.00000
     33     -14.2907      1.00000
     34     -14.2579      1.00000
     35     -13.4370      1.00000
     36     -13.4045      1.00000
     37     -13.1778      1.00000
     38     -13.1745      1.00000
     39     -12.9825      1.00000
     40     -12.9776      1.00000
     41     -12.6133      1.00000
     42     -12.6102      1.00000
     43     -12.1980      1.00000
     44     -11.5771      1.00000
     45     -11.5433      1.00000
     46     -11.3111      1.00000
     47     -11.2883      1.00000
     48     -11.1422      1.00000
     49     -10.6767      1.00000
     50     -10.6606      1.00000
     51     -10.5536      1.00000
     52     -10.3236      1.00000
     53     -10.3180      1.00000
     54     -10.1699      1.00000
     55     -10.1155      1.00000
     56     -10.1129      1.00000
     57      -9.7987      1.00000
     58      -9.7650      1.00000
     59      -9.7523      1.00000
     60      -9.7003      1.00000
     61      -9.6971      1.00000
     62      -9.6626      1.00000
     63      -9.3545      1.00000
     64      -9.3517      1.00000
     65      -9.3158      1.00000
     66      -9.0414      1.00000
     67      -8.9622      1.00000
     68      -8.9498      1.00000
     69      -8.7999      1.00000
     70      -8.5951      1.00000
     71      -8.5580      1.00000
     72      -8.3987      1.00000
     73      -8.3653      1.00000
     74      -8.3246      1.00000
     75      -8.3071      1.00000
     76      -8.2589      1.00000
     77      -8.2573      1.00000
     78      -8.2365      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3865      1.00000
     83      -7.3494      1.00000
     84      -7.2308      1.00000
     85      -7.0967      1.00000
     86      -7.0390      1.00000
     87      -6.9341      1.00000
     88      -6.8483      1.00000
     89      -6.6126      1.00000
     90      -6.5587      1.00000
     91      -6.2697      1.00000
     92      -6.0439      1.00000
     93      -5.9517      1.00000
     94      -5.6628      1.00000
     95      -5.6227      1.00000
     96      -5.4632      1.00000
     97      -5.3201      1.00000
     98      -5.2789      1.00000
     99      -5.2139      1.00000
    100      -5.1939      1.00000
    101      -4.5084      1.00000
    102      -4.2076      1.00000
    103      -4.0592      1.00000
    104      -3.9891      1.00000
    105      -3.6943      1.00000
    106      -3.4979      1.00000
    107      -1.9462      0.00000
    108      -1.8962      0.00000
    109      -1.3389      0.00000
    110      -1.0848      0.00000
    111      -1.0581      0.00000
    112      -0.8002      0.00000
    113      -0.6775      0.00000
    114      -0.6467      0.00000
    115      -0.6071      0.00000
    116      -0.1080      0.00000
    117       0.2156      0.00000
    118       0.3292      0.00000
    119       0.6932      0.00000
    120       0.8868      0.00000
    121       1.1271      0.00000
    122       1.1991      0.00000
    123       1.3254      0.00000
    124       1.4194      0.00000
    125       1.5538      0.00000
    126       1.5761      0.00000
    127       1.6772      0.00000
    128       1.8081      0.00000
    129       1.8812      0.00000
    130       2.0539      0.00000
    131       2.1297      0.00000
    132       2.3307      0.00000
    133       2.3624      0.00000
    134       2.3937      0.00000
    135       2.5430      0.00000
    136       2.6297      0.00000
    137       2.7279      0.00000
    138       2.7656      0.00000
    139       2.8316      0.00000
    140       2.8784      0.00000
    141       3.0445      0.00000
    142       3.0540      0.00000
    143       3.1604      0.00000
    144       3.2628      0.00000
    145       3.3606      0.00000
    146       3.4150      0.00000
    147       3.4322      0.00000
    148       3.5640      0.00000
    149       3.5803      0.00000
    150       3.5968      0.00000
    151       3.6596      0.00000
    152       3.6752      0.00000
    153       3.7803      0.00000
    154       3.8003      0.00000
    155       3.8143      0.00000
    156       3.8972      0.00000
    157       3.9192      0.00000
    158       3.9986      0.00000
    159       4.2117      0.00000
    160       4.2284      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3188      1.00000
      2     -21.9641      1.00000
      3     -21.8949      1.00000
      4     -21.3821      1.00000
      5     -21.3529      1.00000
      6     -20.8408      1.00000
      7     -20.7755      1.00000
      8     -20.6252      1.00000
      9     -20.0787      1.00000
     10     -20.0730      1.00000
     11     -19.7178      1.00000
     12     -19.6933      1.00000
     13     -18.9974      1.00000
     14     -18.9915      1.00000
     15     -18.6415      1.00000
     16     -18.6256      1.00000
     17     -18.4629      1.00000
     18     -17.6760      1.00000
     19     -17.6256      1.00000
     20     -17.6227      1.00000
     21     -17.5809      1.00000
     22     -17.1272      1.00000
     23     -17.1057      1.00000
     24     -16.9626      1.00000
     25     -16.0022      1.00000
     26     -15.9304      1.00000
     27     -15.5864      1.00000
     28     -15.5861      1.00000
     29     -15.2875      1.00000
     30     -14.8647      1.00000
     31     -14.8374      1.00000
     32     -14.5794      1.00000
     33     -14.5375      1.00000
     34     -14.1693      1.00000
     35     -14.1557      1.00000
     36     -13.1484      1.00000
     37     -13.1012      1.00000
     38     -13.0301      1.00000
     39     -13.0199      1.00000
     40     -12.7094      1.00000
     41     -12.7052      1.00000
     42     -12.3422      1.00000
     43     -12.3109      1.00000
     44     -11.6364      1.00000
     45     -11.6228      1.00000
     46     -11.5726      1.00000
     47     -10.9500      1.00000
     48     -10.9169      1.00000
     49     -10.6328      1.00000
     50     -10.6247      1.00000
     51     -10.5478      1.00000
     52     -10.5001      1.00000
     53     -10.4998      1.00000
     54     -10.4398      1.00000
     55     -10.3606      1.00000
     56     -10.1000      1.00000
     57      -9.9042      1.00000
     58      -9.6086      1.00000
     59      -9.5564      1.00000
     60      -9.4529      1.00000
     61      -9.4125      1.00000
     62      -9.4056      1.00000
     63      -9.3775      1.00000
     64      -9.3771      1.00000
     65      -9.2879      1.00000
     66      -9.1690      1.00000
     67      -9.1434      1.00000
     68      -9.1151      1.00000
     69      -8.8651      1.00000
     70      -8.8575      1.00000
     71      -8.8157      1.00000
     72      -8.5974      1.00000
     73      -8.4805      1.00000
     74      -8.1990      1.00000
     75      -8.1636      1.00000
     76      -8.0092      1.00000
     77      -7.9639      1.00000
     78      -7.8506      1.00000
     79      -7.8405      1.00000
     80      -7.7043      1.00000
     81      -7.6969      1.00000
     82      -7.6224      1.00000
     83      -7.4490      1.00000
     84      -7.3009      1.00000
     85      -7.2532      1.00000
     86      -6.9064      1.00000
     87      -6.8927      1.00000
     88      -6.5889      1.00000
     89      -6.5514      1.00000
     90      -6.4061      1.00000
     91      -6.2536      1.00000
     92      -6.2329      1.00000
     93      -6.2055      1.00000
     94      -6.0232      1.00000
     95      -5.5501      1.00000
     96      -5.4890      1.00000
     97      -5.3504      1.00000
     98      -5.2197      1.00000
     99      -4.9795      1.00000
    100      -4.7326      1.00000
    101      -4.6780      1.00000
    102      -4.3874      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5463      1.00000
    106      -3.5099      1.00000
    107      -2.2562      0.00000
    108      -1.4565      0.00000
    109      -1.3712      0.00000
    110      -1.2417      0.00000
    111      -1.0978      0.00000
    112      -0.9449      0.00000
    113      -0.8636      0.00000
    114      -0.8032      0.00000
    115      -0.1393      0.00000
    116       0.1112      0.00000
    117       0.2408      0.00000
    118       0.3777      0.00000
    119       0.6506      0.00000
    120       0.8358      0.00000
    121       0.9366      0.00000
    122       1.0630      0.00000
    123       1.2322      0.00000
    124       1.4472      0.00000
    125       1.5477      0.00000
    126       1.7664      0.00000
    127       1.7932      0.00000
    128       1.8751      0.00000
    129       1.9665      0.00000
    130       2.0459      0.00000
    131       2.1735      0.00000
    132       2.1964      0.00000
    133       2.4086      0.00000
    134       2.4675      0.00000
    135       2.5357      0.00000
    136       2.6043      0.00000
    137       2.6396      0.00000
    138       2.6944      0.00000
    139       2.7726      0.00000
    140       2.8319      0.00000
    141       2.9466      0.00000
    142       3.0790      0.00000
    143       3.1993      0.00000
    144       3.2159      0.00000
    145       3.2625      0.00000
    146       3.3219      0.00000
    147       3.3271      0.00000
    148       3.4665      0.00000
    149       3.4969      0.00000
    150       3.6992      0.00000
    151       3.7103      0.00000
    152       3.7301      0.00000
    153       3.8565      0.00000
    154       3.9162      0.00000
    155       3.9411      0.00000
    156       3.9797      0.00000
    157       4.0172      0.00000
    158       4.0337      0.00000
    159       4.0472      0.00000
    160       4.0672      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2118      1.00000
      2     -22.1188      1.00000
      3     -21.9581      1.00000
      4     -21.4056      1.00000
      5     -21.0510      1.00000
      6     -21.0150      1.00000
      7     -20.5018      1.00000
      8     -20.4624      1.00000
      9     -20.2960      1.00000
     10     -20.2767      1.00000
     11     -19.9586      1.00000
     12     -19.8929      1.00000
     13     -18.8835      1.00000
     14     -18.8148      1.00000
     15     -18.3537      1.00000
     16     -18.3075      1.00000
     17     -18.1539      1.00000
     18     -18.1367      1.00000
     19     -17.8276      1.00000
     20     -17.7900      1.00000
     21     -17.2524      1.00000
     22     -17.2424      1.00000
     23     -17.1654      1.00000
     24     -17.1336      1.00000
     25     -16.1109      1.00000
     26     -15.8864      1.00000
     27     -15.8711      1.00000
     28     -15.8349      1.00000
     29     -15.2370      1.00000
     30     -14.5558      1.00000
     31     -14.5279      1.00000
     32     -14.2807      1.00000
     33     -13.9644      1.00000
     34     -13.9569      1.00000
     35     -13.8208      1.00000
     36     -13.8050      1.00000
     37     -13.6153      1.00000
     38     -13.5715      1.00000
     39     -13.3709      1.00000
     40     -12.6353      1.00000
     41     -12.1815      1.00000
     42     -12.1335      1.00000
     43     -12.0729      1.00000
     44     -12.0206      1.00000
     45     -11.6700      1.00000
     46     -11.6565      1.00000
     47     -11.1394      1.00000
     48     -11.1188      1.00000
     49     -10.7953      1.00000
     50     -10.7318      1.00000
     51     -10.5294      1.00000
     52     -10.2090      1.00000
     53     -10.2063      1.00000
     54     -10.1653      1.00000
     55     -10.0183      1.00000
     56     -10.0048      1.00000
     57      -9.9912      1.00000
     58      -9.8017      1.00000
     59      -9.7979      1.00000
     60      -9.7626      1.00000
     61      -9.7578      1.00000
     62      -9.4551      1.00000
     63      -9.4179      1.00000
     64      -9.0810      1.00000
     65      -9.0728      1.00000
     66      -9.0412      1.00000
     67      -8.9557      1.00000
     68      -8.8778      1.00000
     69      -8.7125      1.00000
     70      -8.7002      1.00000
     71      -8.5663      1.00000
     72      -8.5434      1.00000
     73      -8.4997      1.00000
     74      -8.4629      1.00000
     75      -8.4537      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0437      1.00000
     79      -7.9159      1.00000
     80      -7.8635      1.00000
     81      -7.6151      1.00000
     82      -7.5488      1.00000
     83      -7.4901      1.00000
     84      -7.2680      1.00000
     85      -6.9953      1.00000
     86      -6.9232      1.00000
     87      -6.8821      1.00000
     88      -6.5326      1.00000
     89      -6.4873      1.00000
     90      -6.4614      1.00000
     91      -6.4104      1.00000
     92      -5.9840      1.00000
     93      -5.8976      1.00000
     94      -5.7847      1.00000
     95      -5.7597      1.00000
     96      -5.4322      1.00000
     97      -5.3293      1.00000
     98      -5.2303      1.00000
     99      -5.2178      1.00000
    100      -5.1884      1.00000
    101      -4.6922      1.00000
    102      -4.4214      1.00000
    103      -4.2095      1.00000
    104      -3.8340      1.00000
    105      -3.5291      1.00000
    106      -3.2741      1.00000
    107      -2.5311      0.00000
    108      -1.4580      0.00000
    109      -1.2666      0.00000
    110      -1.2028      0.00000
    111      -1.1724      0.00000
    112      -0.7196      0.00000
    113      -0.5034      0.00000
    114      -0.4118      0.00000
    115      -0.3394      0.00000
    116      -0.1458      0.00000
    117      -0.0027      0.00000
    118       0.1939      0.00000
    119       0.5613      0.00000
    120       0.6126      0.00000
    121       0.7955      0.00000
    122       0.9058      0.00000
    123       1.1314      0.00000
    124       1.4915      0.00000
    125       1.6337      0.00000
    126       1.8494      0.00000
    127       1.9254      0.00000
    128       2.1036      0.00000
    129       2.1136      0.00000
    130       2.1599      0.00000
    131       2.1917      0.00000
    132       2.2799      0.00000
    133       2.3438      0.00000
    134       2.4732      0.00000
    135       2.5831      0.00000
    136       2.6563      0.00000
    137       2.8529      0.00000
    138       2.8712      0.00000
    139       2.8926      0.00000
    140       3.0096      0.00000
    141       3.0193      0.00000
    142       3.1386      0.00000
    143       3.1874      0.00000
    144       3.2302      0.00000
    145       3.2721      0.00000
    146       3.2832      0.00000
    147       3.2998      0.00000
    148       3.3457      0.00000
    149       3.4228      0.00000
    150       3.4483      0.00000
    151       3.5538      0.00000
    152       3.6240      0.00000
    153       3.7150      0.00000
    154       3.7371      0.00000
    155       3.7711      0.00000
    156       3.8940      0.00000
    157       3.9383      0.00000
    158       4.0031      0.00000
    159       4.1280      0.00000
    160       4.2209      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3186      1.00000
      2     -21.9656      1.00000
      3     -21.8934      1.00000
      4     -21.3858      1.00000
      5     -21.3494      1.00000
      6     -20.8406      1.00000
      7     -20.7742      1.00000
      8     -20.6261      1.00000
      9     -20.0906      1.00000
     10     -20.0618      1.00000
     11     -19.7194      1.00000
     12     -19.6907      1.00000
     13     -19.0107      1.00000
     14     -18.9796      1.00000
     15     -18.6506      1.00000
     16     -18.6179      1.00000
     17     -18.4615      1.00000
     18     -17.6612      1.00000
     19     -17.6475      1.00000
     20     -17.6113      1.00000
     21     -17.5788      1.00000
     22     -17.1379      1.00000
     23     -17.0980      1.00000
     24     -16.9663      1.00000
     25     -16.0086      1.00000
     26     -15.9238      1.00000
     27     -15.5997      1.00000
     28     -15.5762      1.00000
     29     -15.2803      1.00000
     30     -14.8774      1.00000
     31     -14.8303      1.00000
     32     -14.5752      1.00000
     33     -14.5374      1.00000
     34     -14.1643      1.00000
     35     -14.1602      1.00000
     36     -13.1626      1.00000
     37     -13.0968      1.00000
     38     -13.0237      1.00000
     39     -13.0189      1.00000
     40     -12.7184      1.00000
     41     -12.6951      1.00000
     42     -12.3413      1.00000
     43     -12.3141      1.00000
     44     -11.6317      1.00000
     45     -11.6225      1.00000
     46     -11.5706      1.00000
     47     -10.9411      1.00000
     48     -10.9233      1.00000
     49     -10.6694      1.00000
     50     -10.5901      1.00000
     51     -10.5735      1.00000
     52     -10.5010      1.00000
     53     -10.4896      1.00000
     54     -10.4393      1.00000
     55     -10.3567      1.00000
     56     -10.1044      1.00000
     57      -9.8984      1.00000
     58      -9.6091      1.00000
     59      -9.5519      1.00000
     60      -9.4548      1.00000
     61      -9.4180      1.00000
     62      -9.4098      1.00000
     63      -9.3798      1.00000
     64      -9.3727      1.00000
     65      -9.2680      1.00000
     66      -9.1651      1.00000
     67      -9.1412      1.00000
     68      -9.1158      1.00000
     69      -8.8662      1.00000
     70      -8.8601      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1931      1.00000
     75      -8.1705      1.00000
     76      -8.0761      1.00000
     77      -7.8579      1.00000
     78      -7.8371      1.00000
     79      -7.8241      1.00000
     80      -7.7105      1.00000
     81      -7.6961      1.00000
     82      -7.5977      1.00000
     83      -7.5301      1.00000
     84      -7.3506      1.00000
     85      -7.1679      1.00000
     86      -6.9051      1.00000
     87      -6.8958      1.00000
     88      -6.5927      1.00000
     89      -6.5515      1.00000
     90      -6.4061      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2008      1.00000
     94      -6.0041      1.00000
     95      -5.5319      1.00000
     96      -5.4653      1.00000
     97      -5.3142      1.00000
     98      -5.2096      1.00000
     99      -5.0470      1.00000
    100      -4.7235      1.00000
    101      -4.6716      1.00000
    102      -4.4239      1.00000
    103      -4.1947      1.00000
    104      -3.8428      1.00000
    105      -3.6344      1.00000
    106      -3.4162      1.00000
    107      -2.2924      0.00000
    108      -1.5093      0.00000
    109      -1.2699      0.00000
    110      -1.2623      0.00000
    111      -1.0343      0.00000
    112      -0.9777      0.00000
    113      -0.8680      0.00000
    114      -0.7997      0.00000
    115      -0.2616      0.00000
    116       0.2045      0.00000
    117       0.2396      0.00000
    118       0.3600      0.00000
    119       0.6899      0.00000
    120       0.8942      0.00000
    121       0.9238      0.00000
    122       1.0398      0.00000
    123       1.1660      0.00000
    124       1.5087      0.00000
    125       1.5570      0.00000
    126       1.7094      0.00000
    127       1.7787      0.00000
    128       1.8340      0.00000
    129       1.9653      0.00000
    130       1.9830      0.00000
    131       2.1875      0.00000
    132       2.2587      0.00000
    133       2.4128      0.00000
    134       2.4744      0.00000
    135       2.5347      0.00000
    136       2.6004      0.00000
    137       2.6188      0.00000
    138       2.6976      0.00000
    139       2.7529      0.00000
    140       2.8608      0.00000
    141       3.0343      0.00000
    142       3.0773      0.00000
    143       3.1899      0.00000
    144       3.2487      0.00000
    145       3.2652      0.00000
    146       3.2984      0.00000
    147       3.3488      0.00000
    148       3.4511      0.00000
    149       3.5182      0.00000
    150       3.6910      0.00000
    151       3.7170      0.00000
    152       3.7524      0.00000
    153       3.8310      0.00000
    154       3.8915      0.00000
    155       3.9288      0.00000
    156       3.9771      0.00000
    157       4.0076      0.00000
    158       4.0451      0.00000
    159       4.0490      0.00000
    160       4.0871      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3908      1.00000
      2     -21.8320      1.00000
      3     -21.6426      1.00000
      4     -21.6076      1.00000
      5     -21.2799      1.00000
      6     -21.2329      1.00000
      7     -21.0576      1.00000
      8     -20.1725      1.00000
      9     -20.1263      1.00000
     10     -19.6178      1.00000
     11     -19.5916      1.00000
     12     -19.4166      1.00000
     13     -19.0955      1.00000
     14     -19.0568      1.00000
     15     -19.0524      1.00000
     16     -19.0397      1.00000
     17     -18.3675      1.00000
     18     -18.3478      1.00000
     19     -18.0175      1.00000
     20     -17.0730      1.00000
     21     -17.0242      1.00000
     22     -16.9502      1.00000
     23     -16.9364      1.00000
     24     -16.4752      1.00000
     25     -16.4633      1.00000
     26     -15.6100      1.00000
     27     -15.6095      1.00000
     28     -15.2504      1.00000
     29     -15.2383      1.00000
     30     -15.1922      1.00000
     31     -15.1021      1.00000
     32     -15.0691      1.00000
     33     -14.6987      1.00000
     34     -14.6978      1.00000
     35     -13.7253      1.00000
     36     -13.7252      1.00000
     37     -13.2358      1.00000
     38     -12.6246      1.00000
     39     -12.5805      1.00000
     40     -12.4554      1.00000
     41     -12.4501      1.00000
     42     -12.1052      1.00000
     43     -12.1003      1.00000
     44     -11.7218      1.00000
     45     -11.6832      1.00000
     46     -11.2455      1.00000
     47     -11.2248      1.00000
     48     -11.0181      1.00000
     49     -11.0065      1.00000
     50     -10.9279      1.00000
     51     -10.8993      1.00000
     52     -10.6376      1.00000
     53     -10.1728      1.00000
     54     -10.1499      1.00000
     55     -10.0851      1.00000
     56      -9.9926      1.00000
     57      -9.6965      1.00000
     58      -9.6900      1.00000
     59      -9.6709      1.00000
     60      -9.5914      1.00000
     61      -9.5674      1.00000
     62      -9.5542      1.00000
     63      -9.3131      1.00000
     64      -9.3005      1.00000
     65      -9.2837      1.00000
     66      -9.2429      1.00000
     67      -9.1226      1.00000
     68      -9.1129      1.00000
     69      -9.1112      1.00000
     70      -8.9400      1.00000
     71      -8.8751      1.00000
     72      -8.6048      1.00000
     73      -8.5861      1.00000
     74      -8.2712      1.00000
     75      -8.1015      1.00000
     76      -7.8674      1.00000
     77      -7.8439      1.00000
     78      -7.7907      1.00000
     79      -7.7649      1.00000
     80      -7.7559      1.00000
     81      -7.4472      1.00000
     82      -7.3349      1.00000
     83      -7.3234      1.00000
     84      -7.2663      1.00000
     85      -7.1628      1.00000
     86      -7.0147      1.00000
     87      -6.9867      1.00000
     88      -6.7179      1.00000
     89      -6.6907      1.00000
     90      -6.6318      1.00000
     91      -6.5907      1.00000
     92      -6.1178      1.00000
     93      -6.0589      1.00000
     94      -6.0448      1.00000
     95      -6.0285      1.00000
     96      -5.7480      1.00000
     97      -4.9747      1.00000
     98      -4.8396      1.00000
     99      -4.7090      1.00000
    100      -4.6734      1.00000
    101      -4.4836      1.00000
    102      -4.3522      1.00000
    103      -4.1119      1.00000
    104      -4.0555      1.00000
    105      -3.7549      1.00000
    106      -3.4654      1.00000
    107      -1.9505      0.00000
    108      -1.7710      0.00000
    109      -1.4797      0.00000
    110      -1.3555      0.00000
    111      -1.3358      0.00000
    112      -1.2925      0.00000
    113      -0.6785      0.00000
    114      -0.4719      0.00000
    115      -0.2354      0.00000
    116       0.0516      0.00000
    117       0.5864      0.00000
    118       0.6925      0.00000
    119       0.7701      0.00000
    120       1.0227      0.00000
    121       1.0971      0.00000
    122       1.1764      0.00000
    123       1.2498      0.00000
    124       1.3338      0.00000
    125       1.4319      0.00000
    126       1.5960      0.00000
    127       1.7663      0.00000
    128       1.8422      0.00000
    129       1.8609      0.00000
    130       1.8870      0.00000
    131       2.0480      0.00000
    132       2.2165      0.00000
    133       2.2300      0.00000
    134       2.2835      0.00000
    135       2.4789      0.00000
    136       2.6147      0.00000
    137       2.6469      0.00000
    138       2.7490      0.00000
    139       2.7920      0.00000
    140       2.8362      0.00000
    141       2.8470      0.00000
    142       2.8792      0.00000
    143       2.9536      0.00000
    144       3.0810      0.00000
    145       3.3177      0.00000
    146       3.3571      0.00000
    147       3.4093      0.00000
    148       3.4215      0.00000
    149       3.4230      0.00000
    150       3.5971      0.00000
    151       3.6542      0.00000
    152       3.6712      0.00000
    153       3.7273      0.00000
    154       3.8928      0.00000
    155       3.9242      0.00000
    156       3.9579      0.00000
    157       4.1118      0.00000
    158       4.2066      0.00000
    159       4.2491      0.00000
    160       4.2820      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2109      1.00000
      2     -22.1202      1.00000
      3     -21.9578      1.00000
      4     -21.4057      1.00000
      5     -21.0471      1.00000
      6     -21.0189      1.00000
      7     -20.4970      1.00000
      8     -20.4671      1.00000
      9     -20.2872      1.00000
     10     -20.2852      1.00000
     11     -19.9575      1.00000
     12     -19.8944      1.00000
     13     -18.8841      1.00000
     14     -18.8165      1.00000
     15     -18.3385      1.00000
     16     -18.3195      1.00000
     17     -18.1498      1.00000
     18     -18.1423      1.00000
     19     -17.8165      1.00000
     20     -17.7985      1.00000
     21     -17.2586      1.00000
     22     -17.2390      1.00000
     23     -17.1607      1.00000
     24     -17.1359      1.00000
     25     -16.1174      1.00000
     26     -15.8811      1.00000
     27     -15.8700      1.00000
     28     -15.8408      1.00000
     29     -15.2313      1.00000
     30     -14.5512      1.00000
     31     -14.5329      1.00000
     32     -14.2760      1.00000
     33     -13.9755      1.00000
     34     -13.9518      1.00000
     35     -13.8252      1.00000
     36     -13.8029      1.00000
     37     -13.6043      1.00000
     38     -13.5791      1.00000
     39     -13.3711      1.00000
     40     -12.6395      1.00000
     41     -12.1690      1.00000
     42     -12.1427      1.00000
     43     -12.0684      1.00000
     44     -12.0216      1.00000
     45     -11.6654      1.00000
     46     -11.6607      1.00000
     47     -11.1368      1.00000
     48     -11.1257      1.00000
     49     -10.7904      1.00000
     50     -10.7343      1.00000
     51     -10.5361      1.00000
     52     -10.2089      1.00000
     53     -10.2027      1.00000
     54     -10.1710      1.00000
     55     -10.0232      1.00000
     56      -9.9948      1.00000
     57      -9.9906      1.00000
     58      -9.8054      1.00000
     59      -9.7964      1.00000
     60      -9.7648      1.00000
     61      -9.7568      1.00000
     62      -9.4543      1.00000
     63      -9.4178      1.00000
     64      -9.0851      1.00000
     65      -9.0462      1.00000
     66      -9.0259      1.00000
     67      -8.9697      1.00000
     68      -8.8981      1.00000
     69      -8.7085      1.00000
     70      -8.6993      1.00000
     71      -8.5599      1.00000
     72      -8.5491      1.00000
     73      -8.4781      1.00000
     74      -8.4598      1.00000
     75      -8.4570      1.00000
     76      -8.3087      1.00000
     77      -8.0954      1.00000
     78      -8.0896      1.00000
     79      -7.9268      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5368      1.00000
     83      -7.4437      1.00000
     84      -7.3142      1.00000
     85      -6.9941      1.00000
     86      -6.9194      1.00000
     87      -6.8824      1.00000
     88      -6.5275      1.00000
     89      -6.5149      1.00000
     90      -6.4807      1.00000
     91      -6.4207      1.00000
     92      -5.9272      1.00000
     93      -5.9054      1.00000
     94      -5.7889      1.00000
     95      -5.7750      1.00000
     96      -5.3694      1.00000
     97      -5.3632      1.00000
     98      -5.2204      1.00000
     99      -5.2154      1.00000
    100      -5.1988      1.00000
    101      -4.7203      1.00000
    102      -4.4423      1.00000
    103      -4.1908      1.00000
    104      -3.8204      1.00000
    105      -3.5654      1.00000
    106      -3.2214      1.00000
    107      -2.5625      0.00000
    108      -1.4631      0.00000
    109      -1.2672      0.00000
    110      -1.1851      0.00000
    111      -1.1836      0.00000
    112      -0.6447      0.00000
    113      -0.5513      0.00000
    114      -0.4146      0.00000
    115      -0.3473      0.00000
    116      -0.0776      0.00000
    117      -0.0633      0.00000
    118       0.1260      0.00000
    119       0.5932      0.00000
    120       0.6265      0.00000
    121       0.8541      0.00000
    122       0.9844      0.00000
    123       1.0026      0.00000
    124       1.4933      0.00000
    125       1.6827      0.00000
    126       1.7612      0.00000
    127       1.8581      0.00000
    128       2.1101      0.00000
    129       2.1537      0.00000
    130       2.1928      0.00000
    131       2.2103      0.00000
    132       2.2585      0.00000
    133       2.3580      0.00000
    134       2.4930      0.00000
    135       2.5183      0.00000
    136       2.6626      0.00000
    137       2.8526      0.00000
    138       2.8591      0.00000
    139       2.9522      0.00000
    140       2.9964      0.00000
    141       3.0340      0.00000
    142       3.1341      0.00000
    143       3.2009      0.00000
    144       3.2439      0.00000
    145       3.2461      0.00000
    146       3.2793      0.00000
    147       3.3025      0.00000
    148       3.3539      0.00000
    149       3.4234      0.00000
    150       3.5493      0.00000
    151       3.5654      0.00000
    152       3.6454      0.00000
    153       3.6645      0.00000
    154       3.7107      0.00000
    155       3.7339      0.00000
    156       3.8959      0.00000
    157       3.9587      0.00000
    158       4.0344      0.00000
    159       4.0729      0.00000
    160       4.1818      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2844      1.00000
      2     -22.0798      1.00000
      3     -21.7214      1.00000
      4     -21.6822      1.00000
      5     -20.9839      1.00000
      6     -20.9361      1.00000
      7     -20.6124      1.00000
      8     -20.5802      1.00000
      9     -20.5666      1.00000
     10     -20.0332      1.00000
     11     -19.5142      1.00000
     12     -19.4841      1.00000
     13     -19.3122      1.00000
     14     -19.2992      1.00000
     15     -18.4505      1.00000
     16     -18.4073      1.00000
     17     -17.9282      1.00000
     18     -17.9078      1.00000
     19     -17.7667      1.00000
     20     -17.7218      1.00000
     21     -17.4422      1.00000
     22     -17.4237      1.00000
     23     -17.3388      1.00000
     24     -16.4713      1.00000
     25     -16.4611      1.00000
     26     -15.9713      1.00000
     27     -15.4114      1.00000
     28     -15.4105      1.00000
     29     -15.0963      1.00000
     30     -15.0933      1.00000
     31     -14.8535      1.00000
     32     -14.8411      1.00000
     33     -14.2984      1.00000
     34     -14.2547      1.00000
     35     -13.4447      1.00000
     36     -13.4009      1.00000
     37     -13.1754      1.00000
     38     -13.1740      1.00000
     39     -12.9864      1.00000
     40     -12.9774      1.00000
     41     -12.6109      1.00000
     42     -12.6088      1.00000
     43     -12.1973      1.00000
     44     -11.5797      1.00000
     45     -11.5386      1.00000
     46     -11.3136      1.00000
     47     -11.2833      1.00000
     48     -11.1424      1.00000
     49     -10.6925      1.00000
     50     -10.6631      1.00000
     51     -10.5474      1.00000
     52     -10.3227      1.00000
     53     -10.3150      1.00000
     54     -10.1761      1.00000
     55     -10.1214      1.00000
     56     -10.1081      1.00000
     57      -9.8119      1.00000
     58      -9.7529      1.00000
     59      -9.7524      1.00000
     60      -9.7026      1.00000
     61      -9.6987      1.00000
     62      -9.6473      1.00000
     63      -9.3529      1.00000
     64      -9.3515      1.00000
     65      -9.3179      1.00000
     66      -9.0282      1.00000
     67      -8.9618      1.00000
     68      -8.9580      1.00000
     69      -8.7758      1.00000
     70      -8.5916      1.00000
     71      -8.5885      1.00000
     72      -8.4240      1.00000
     73      -8.3499      1.00000
     74      -8.3225      1.00000
     75      -8.3023      1.00000
     76      -8.2657      1.00000
     77      -8.2541      1.00000
     78      -8.2393      1.00000
     79      -7.9216      1.00000
     80      -7.7341      1.00000
     81      -7.3798      1.00000
     82      -7.3502      1.00000
     83      -7.3236      1.00000
     84      -7.2175      1.00000
     85      -7.1604      1.00000
     86      -7.0654      1.00000
     87      -6.9609      1.00000
     88      -6.9053      1.00000
     89      -6.6132      1.00000
     90      -6.5568      1.00000
     91      -6.2708      1.00000
     92      -5.9967      1.00000
     93      -5.9595      1.00000
     94      -5.6753      1.00000
     95      -5.6487      1.00000
     96      -5.3875      1.00000
     97      -5.3151      1.00000
     98      -5.2940      1.00000
     99      -5.2120      1.00000
    100      -5.2004      1.00000
    101      -4.5115      1.00000
    102      -4.3387      1.00000
    103      -3.9965      1.00000
    104      -3.8859      1.00000
    105      -3.7928      1.00000
    106      -3.4432      1.00000
    107      -2.0344      0.00000
    108      -1.8633      0.00000
    109      -1.2175      0.00000
    110      -1.1841      0.00000
    111      -1.0357      0.00000
    112      -0.7721      0.00000
    113      -0.6772      0.00000
    114      -0.6598      0.00000
    115      -0.6096      0.00000
    116      -0.1017      0.00000
    117       0.2226      0.00000
    118       0.2397      0.00000
    119       0.7685      0.00000
    120       0.9829      0.00000
    121       1.0738      0.00000
    122       1.2412      0.00000
    123       1.2510      0.00000
    124       1.3401      0.00000
    125       1.5774      0.00000
    126       1.5852      0.00000
    127       1.6989      0.00000
    128       1.7977      0.00000
    129       1.9442      0.00000
    130       1.9578      0.00000
    131       2.0920      0.00000
    132       2.3007      0.00000
    133       2.3428      0.00000
    134       2.4144      0.00000
    135       2.5410      0.00000
    136       2.6274      0.00000
    137       2.7745      0.00000
    138       2.8346      0.00000
    139       2.8416      0.00000
    140       2.8637      0.00000
    141       3.0416      0.00000
    142       3.0982      0.00000
    143       3.1494      0.00000
    144       3.2192      0.00000
    145       3.3761      0.00000
    146       3.4149      0.00000
    147       3.5004      0.00000
    148       3.5434      0.00000
    149       3.5908      0.00000
    150       3.6073      0.00000
    151       3.6462      0.00000
    152       3.7338      0.00000
    153       3.7437      0.00000
    154       3.7783      0.00000
    155       3.8240      0.00000
    156       3.8801      0.00000
    157       4.0259      0.00000
    158       4.0842      0.00000
    159       4.1658      0.00000
    160       4.2091      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4275      1.00000
      2     -21.6043      1.00000
      3     -21.4826      1.00000
      4     -21.4735      1.00000
      5     -21.4419      1.00000
      6     -21.4411      1.00000
      7     -21.4310      1.00000
      8     -19.7084      1.00000
      9     -19.6535      1.00000
     10     -19.6302      1.00000
     11     -19.6192      1.00000
     12     -19.6139      1.00000
     13     -19.6129      1.00000
     14     -18.7906      1.00000
     15     -18.7554      1.00000
     16     -18.7356      1.00000
     17     -18.7261      1.00000
     18     -18.7190      1.00000
     19     -18.7136      1.00000
     20     -16.6353      1.00000
     21     -16.6095      1.00000
     22     -16.5851      1.00000
     23     -16.5817      1.00000
     24     -16.5547      1.00000
     25     -16.5530      1.00000
     26     -15.6153      1.00000
     27     -15.6026      1.00000
     28     -15.5993      1.00000
     29     -15.5652      1.00000
     30     -15.5635      1.00000
     31     -15.5626      1.00000
     32     -14.2603      1.00000
     33     -14.2510      1.00000
     34     -14.2410      1.00000
     35     -14.2360      1.00000
     36     -14.2228      1.00000
     37     -14.2199      1.00000
     38     -11.9060      1.00000
     39     -11.8790      1.00000
     40     -11.8678      1.00000
     41     -11.8657      1.00000
     42     -11.8450      1.00000
     43     -11.8448      1.00000
     44     -11.7715      1.00000
     45     -11.7688      1.00000
     46     -11.7361      1.00000
     47     -11.7294      1.00000
     48     -11.7252      1.00000
     49     -11.7228      1.00000
     50     -10.6766      1.00000
     51     -10.3890      1.00000
     52     -10.3839      1.00000
     53     -10.3770      1.00000
     54     -10.3692      1.00000
     55     -10.3559      1.00000
     56     -10.3538      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4059      1.00000
     60      -9.3629      1.00000
     61      -9.3623      1.00000
     62      -9.3545      1.00000
     63      -9.1425      1.00000
     64      -9.1219      1.00000
     65      -9.1212      1.00000
     66      -9.0848      1.00000
     67      -9.0719      1.00000
     68      -9.0713      1.00000
     69      -9.0711      1.00000
     70      -9.0641      1.00000
     71      -9.0641      1.00000
     72      -9.0384      1.00000
     73      -9.0289      1.00000
     74      -9.0257      1.00000
     75      -8.1301      1.00000
     76      -7.7457      1.00000
     77      -7.4687      1.00000
     78      -7.4666      1.00000
     79      -7.4538      1.00000
     80      -7.4341      1.00000
     81      -7.4246      1.00000
     82      -7.4065      1.00000
     83      -7.3130      1.00000
     84      -7.2712      1.00000
     85      -7.2575      1.00000
     86      -7.2490      1.00000
     87      -7.1507      1.00000
     88      -7.0494      1.00000
     89      -6.4463      1.00000
     90      -6.4161      1.00000
     91      -6.4004      1.00000
     92      -6.3637      1.00000
     93      -6.3530      1.00000
     94      -6.3407      1.00000
     95      -5.9584      1.00000
     96      -5.9581      1.00000
     97      -4.8063      1.00000
     98      -4.5443      1.00000
     99      -4.4814      1.00000
    100      -4.4743      1.00000
    101      -4.3822      1.00000
    102      -4.3816      1.00000
    103      -4.2677      1.00000
    104      -4.1872      1.00000
    105      -3.7392      1.00000
    106      -3.4775      1.00000
    107      -1.8618      0.00000
    108      -1.6705      0.00000
    109      -1.6240      0.00000
    110      -1.5913      0.00000
    111      -1.5758      0.00000
    112      -1.5748      0.00000
    113      -0.4288      0.00000
    114       0.1459      0.00000
    115       0.1921      0.00000
    116       0.2557      0.00000
    117       0.2676      0.00000
    118       0.2715      0.00000
    119       0.4771      0.00000
    120       0.5467      0.00000
    121       1.2465      0.00000
    122       1.2899      0.00000
    123       1.5336      0.00000
    124       1.7703      0.00000
    125       1.7731      0.00000
    126       1.7734      0.00000
    127       1.8060      0.00000
    128       1.8294      0.00000
    129       1.9588      0.00000
    130       1.9685      0.00000
    131       1.9746      0.00000
    132       1.9894      0.00000
    133       1.9965      0.00000
    134       2.0775      0.00000
    135       2.2477      0.00000
    136       2.3473      0.00000
    137       2.6059      0.00000
    138       2.6077      0.00000
    139       2.6339      0.00000
    140       2.7045      0.00000
    141       2.9344      0.00000
    142       3.0521      0.00000
    143       3.0704      0.00000
    144       3.1045      0.00000
    145       3.1053      0.00000
    146       3.1119      0.00000
    147       3.1137      0.00000
    148       3.2738      0.00000
    149       3.4543      0.00000
    150       3.5044      0.00000
    151       3.8233      0.00000
    152       3.9486      0.00000
    153       3.9533      0.00000
    154       3.9566      0.00000
    155       3.9572      0.00000
    156       3.9953      0.00000
    157       4.1894      0.00000
    158       4.2625      0.00000
    159       4.2797      0.00000
    160       4.2840      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8317      1.00000
      3     -21.6394      1.00000
      4     -21.6116      1.00000
      5     -21.2758      1.00000
      6     -21.2364      1.00000
      7     -21.0580      1.00000
      8     -20.1687      1.00000
      9     -20.1305      1.00000
     10     -19.6096      1.00000
     11     -19.5985      1.00000
     12     -19.4181      1.00000
     13     -19.0905      1.00000
     14     -19.0608      1.00000
     15     -19.0497      1.00000
     16     -19.0423      1.00000
     17     -18.3614      1.00000
     18     -18.3530      1.00000
     19     -18.0197      1.00000
     20     -17.0697      1.00000
     21     -17.0310      1.00000
     22     -16.9444      1.00000
     23     -16.9405      1.00000
     24     -16.4684      1.00000
     25     -16.4637      1.00000
     26     -15.6149      1.00000
     27     -15.6080      1.00000
     28     -15.2532      1.00000
     29     -15.2441      1.00000
     30     -15.1853      1.00000
     31     -15.0984      1.00000
     32     -15.0716      1.00000
     33     -14.6991      1.00000
     34     -14.6971      1.00000
     35     -13.7269      1.00000
     36     -13.7244      1.00000
     37     -13.2361      1.00000
     38     -12.6145      1.00000
     39     -12.5843      1.00000
     40     -12.4548      1.00000
     41     -12.4511      1.00000
     42     -12.1096      1.00000
     43     -12.1050      1.00000
     44     -11.7178      1.00000
     45     -11.6869      1.00000
     46     -11.2354      1.00000
     47     -11.2261      1.00000
     48     -11.0181      1.00000
     49     -11.0101      1.00000
     50     -10.9271      1.00000
     51     -10.9057      1.00000
     52     -10.6316      1.00000
     53     -10.1552      1.00000
     54     -10.1512      1.00000
     55     -10.0920      1.00000
     56      -9.9990      1.00000
     57      -9.7032      1.00000
     58      -9.6952      1.00000
     59      -9.6565      1.00000
     60      -9.5921      1.00000
     61      -9.5770      1.00000
     62      -9.5590      1.00000
     63      -9.3073      1.00000
     64      -9.3035      1.00000
     65      -9.2746      1.00000
     66      -9.2369      1.00000
     67      -9.1372      1.00000
     68      -9.1152      1.00000
     69      -9.1116      1.00000
     70      -8.9401      1.00000
     71      -8.8724      1.00000
     72      -8.6045      1.00000
     73      -8.5909      1.00000
     74      -8.2367      1.00000
     75      -8.1005      1.00000
     76      -7.9135      1.00000
     77      -7.8640      1.00000
     78      -7.7717      1.00000
     79      -7.7569      1.00000
     80      -7.6923      1.00000
     81      -7.5606      1.00000
     82      -7.3389      1.00000
     83      -7.3228      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0124      1.00000
     88      -6.7046      1.00000
     89      -6.6783      1.00000
     90      -6.6413      1.00000
     91      -6.5978      1.00000
     92      -6.1158      1.00000
     93      -6.0623      1.00000
     94      -6.0312      1.00000
     95      -6.0115      1.00000
     96      -5.7834      1.00000
     97      -4.9744      1.00000
     98      -4.8321      1.00000
     99      -4.7470      1.00000
    100      -4.6794      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1719      1.00000
    104      -4.1279      1.00000
    105      -3.7295      1.00000
    106      -3.4877      1.00000
    107      -1.8703      0.00000
    108      -1.8088      0.00000
    109      -1.5243      0.00000
    110      -1.3775      0.00000
    111      -1.3213      0.00000
    112      -1.2879      0.00000
    113      -0.7198      0.00000
    114      -0.3759      0.00000
    115      -0.2498      0.00000
    116       0.0370      0.00000
    117       0.5549      0.00000
    118       0.6983      0.00000
    119       0.7463      0.00000
    120       1.0479      0.00000
    121       1.1000      0.00000
    122       1.1492      0.00000
    123       1.2273      0.00000
    124       1.3766      0.00000
    125       1.5224      0.00000
    126       1.5800      0.00000
    127       1.7149      0.00000
    128       1.8178      0.00000
    129       1.8585      0.00000
    130       1.8816      0.00000
    131       2.0968      0.00000
    132       2.1849      0.00000
    133       2.2409      0.00000
    134       2.3049      0.00000
    135       2.5111      0.00000
    136       2.5856      0.00000
    137       2.6456      0.00000
    138       2.7774      0.00000
    139       2.7946      0.00000
    140       2.8262      0.00000
    141       2.8671      0.00000
    142       2.8985      0.00000
    143       2.9488      0.00000
    144       3.0770      0.00000
    145       3.1508      0.00000
    146       3.3203      0.00000
    147       3.3907      0.00000
    148       3.4361      0.00000
    149       3.4639      0.00000
    150       3.6144      0.00000
    151       3.6467      0.00000
    152       3.6678      0.00000
    153       3.7110      0.00000
    154       3.9072      0.00000
    155       3.9625      0.00000
    156       4.0160      0.00000
    157       4.0711      0.00000
    158       4.2330      0.00000
    159       4.2475      0.00000
    160       4.2786      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2848      1.00000
      2     -22.0792      1.00000
      3     -21.7178      1.00000
      4     -21.6860      1.00000
      5     -20.9805      1.00000
      6     -20.9399      1.00000
      7     -20.6129      1.00000
      8     -20.5763      1.00000
      9     -20.5700      1.00000
     10     -20.0336      1.00000
     11     -19.5043      1.00000
     12     -19.4926      1.00000
     13     -19.3077      1.00000
     14     -19.3025      1.00000
     15     -18.4485      1.00000
     16     -18.4118      1.00000
     17     -17.9230      1.00000
     18     -17.9137      1.00000
     19     -17.7623      1.00000
     20     -17.7265      1.00000
     21     -17.4365      1.00000
     22     -17.4292      1.00000
     23     -17.3414      1.00000
     24     -16.4634      1.00000
     25     -16.4623      1.00000
     26     -15.9677      1.00000
     27     -15.4150      1.00000
     28     -15.4095      1.00000
     29     -15.0972      1.00000
     30     -15.0938      1.00000
     31     -14.8554      1.00000
     32     -14.8478      1.00000
     33     -14.2907      1.00000
     34     -14.2579      1.00000
     35     -13.4370      1.00000
     36     -13.4045      1.00000
     37     -13.1778      1.00000
     38     -13.1745      1.00000
     39     -12.9825      1.00000
     40     -12.9776      1.00000
     41     -12.6133      1.00000
     42     -12.6102      1.00000
     43     -12.1980      1.00000
     44     -11.5771      1.00000
     45     -11.5433      1.00000
     46     -11.3111      1.00000
     47     -11.2883      1.00000
     48     -11.1422      1.00000
     49     -10.6767      1.00000
     50     -10.6606      1.00000
     51     -10.5536      1.00000
     52     -10.3236      1.00000
     53     -10.3180      1.00000
     54     -10.1699      1.00000
     55     -10.1155      1.00000
     56     -10.1129      1.00000
     57      -9.7987      1.00000
     58      -9.7650      1.00000
     59      -9.7523      1.00000
     60      -9.7003      1.00000
     61      -9.6971      1.00000
     62      -9.6626      1.00000
     63      -9.3545      1.00000
     64      -9.3517      1.00000
     65      -9.3158      1.00000
     66      -9.0414      1.00000
     67      -8.9622      1.00000
     68      -8.9498      1.00000
     69      -8.7999      1.00000
     70      -8.5951      1.00000
     71      -8.5580      1.00000
     72      -8.3987      1.00000
     73      -8.3653      1.00000
     74      -8.3246      1.00000
     75      -8.3071      1.00000
     76      -8.2589      1.00000
     77      -8.2573      1.00000
     78      -8.2365      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3865      1.00000
     83      -7.3494      1.00000
     84      -7.2308      1.00000
     85      -7.0967      1.00000
     86      -7.0390      1.00000
     87      -6.9341      1.00000
     88      -6.8483      1.00000
     89      -6.6126      1.00000
     90      -6.5587      1.00000
     91      -6.2697      1.00000
     92      -6.0439      1.00000
     93      -5.9517      1.00000
     94      -5.6628      1.00000
     95      -5.6227      1.00000
     96      -5.4632      1.00000
     97      -5.3201      1.00000
     98      -5.2789      1.00000
     99      -5.2139      1.00000
    100      -5.1939      1.00000
    101      -4.5084      1.00000
    102      -4.2076      1.00000
    103      -4.0592      1.00000
    104      -3.9891      1.00000
    105      -3.6943      1.00000
    106      -3.4979      1.00000
    107      -1.9462      0.00000
    108      -1.8962      0.00000
    109      -1.3389      0.00000
    110      -1.0848      0.00000
    111      -1.0581      0.00000
    112      -0.8002      0.00000
    113      -0.6775      0.00000
    114      -0.6467      0.00000
    115      -0.6071      0.00000
    116      -0.1080      0.00000
    117       0.2156      0.00000
    118       0.3292      0.00000
    119       0.6932      0.00000
    120       0.8868      0.00000
    121       1.1271      0.00000
    122       1.1991      0.00000
    123       1.3254      0.00000
    124       1.4194      0.00000
    125       1.5538      0.00000
    126       1.5761      0.00000
    127       1.6772      0.00000
    128       1.8081      0.00000
    129       1.8812      0.00000
    130       2.0539      0.00000
    131       2.1297      0.00000
    132       2.3307      0.00000
    133       2.3623      0.00000
    134       2.3937      0.00000
    135       2.5430      0.00000
    136       2.6297      0.00000
    137       2.7279      0.00000
    138       2.7655      0.00000
    139       2.8316      0.00000
    140       2.8784      0.00000
    141       3.0445      0.00000
    142       3.0540      0.00000
    143       3.1604      0.00000
    144       3.2628      0.00000
    145       3.3606      0.00000
    146       3.4150      0.00000
    147       3.4322      0.00000
    148       3.5640      0.00000
    149       3.5803      0.00000
    150       3.5968      0.00000
    151       3.6596      0.00000
    152       3.6752      0.00000
    153       3.7803      0.00000
    154       3.8003      0.00000
    155       3.8142      0.00000
    156       3.8971      0.00000
    157       3.9192      0.00000
    158       3.9986      0.00000
    159       4.2117      0.00000
    160       4.2284      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3188      1.00000
      2     -21.9641      1.00000
      3     -21.8949      1.00000
      4     -21.3821      1.00000
      5     -21.3529      1.00000
      6     -20.8408      1.00000
      7     -20.7755      1.00000
      8     -20.6252      1.00000
      9     -20.0787      1.00000
     10     -20.0730      1.00000
     11     -19.7178      1.00000
     12     -19.6933      1.00000
     13     -18.9974      1.00000
     14     -18.9915      1.00000
     15     -18.6415      1.00000
     16     -18.6256      1.00000
     17     -18.4629      1.00000
     18     -17.6760      1.00000
     19     -17.6256      1.00000
     20     -17.6227      1.00000
     21     -17.5809      1.00000
     22     -17.1272      1.00000
     23     -17.1057      1.00000
     24     -16.9626      1.00000
     25     -16.0022      1.00000
     26     -15.9304      1.00000
     27     -15.5864      1.00000
     28     -15.5861      1.00000
     29     -15.2875      1.00000
     30     -14.8647      1.00000
     31     -14.8374      1.00000
     32     -14.5794      1.00000
     33     -14.5375      1.00000
     34     -14.1693      1.00000
     35     -14.1557      1.00000
     36     -13.1484      1.00000
     37     -13.1012      1.00000
     38     -13.0301      1.00000
     39     -13.0199      1.00000
     40     -12.7094      1.00000
     41     -12.7052      1.00000
     42     -12.3422      1.00000
     43     -12.3109      1.00000
     44     -11.6364      1.00000
     45     -11.6228      1.00000
     46     -11.5726      1.00000
     47     -10.9500      1.00000
     48     -10.9169      1.00000
     49     -10.6328      1.00000
     50     -10.6247      1.00000
     51     -10.5478      1.00000
     52     -10.5001      1.00000
     53     -10.4998      1.00000
     54     -10.4398      1.00000
     55     -10.3606      1.00000
     56     -10.1000      1.00000
     57      -9.9042      1.00000
     58      -9.6086      1.00000
     59      -9.5564      1.00000
     60      -9.4529      1.00000
     61      -9.4125      1.00000
     62      -9.4056      1.00000
     63      -9.3775      1.00000
     64      -9.3771      1.00000
     65      -9.2879      1.00000
     66      -9.1690      1.00000
     67      -9.1434      1.00000
     68      -9.1151      1.00000
     69      -8.8651      1.00000
     70      -8.8575      1.00000
     71      -8.8157      1.00000
     72      -8.5974      1.00000
     73      -8.4805      1.00000
     74      -8.1990      1.00000
     75      -8.1636      1.00000
     76      -8.0092      1.00000
     77      -7.9639      1.00000
     78      -7.8506      1.00000
     79      -7.8405      1.00000
     80      -7.7043      1.00000
     81      -7.6969      1.00000
     82      -7.6224      1.00000
     83      -7.4490      1.00000
     84      -7.3009      1.00000
     85      -7.2532      1.00000
     86      -6.9064      1.00000
     87      -6.8927      1.00000
     88      -6.5889      1.00000
     89      -6.5514      1.00000
     90      -6.4061      1.00000
     91      -6.2536      1.00000
     92      -6.2329      1.00000
     93      -6.2055      1.00000
     94      -6.0232      1.00000
     95      -5.5501      1.00000
     96      -5.4890      1.00000
     97      -5.3504      1.00000
     98      -5.2197      1.00000
     99      -4.9795      1.00000
    100      -4.7326      1.00000
    101      -4.6780      1.00000
    102      -4.3874      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5463      1.00000
    106      -3.5099      1.00000
    107      -2.2562      0.00000
    108      -1.4565      0.00000
    109      -1.3712      0.00000
    110      -1.2417      0.00000
    111      -1.0978      0.00000
    112      -0.9449      0.00000
    113      -0.8636      0.00000
    114      -0.8032      0.00000
    115      -0.1393      0.00000
    116       0.1112      0.00000
    117       0.2408      0.00000
    118       0.3777      0.00000
    119       0.6506      0.00000
    120       0.8358      0.00000
    121       0.9366      0.00000
    122       1.0630      0.00000
    123       1.2322      0.00000
    124       1.4472      0.00000
    125       1.5477      0.00000
    126       1.7664      0.00000
    127       1.7931      0.00000
    128       1.8751      0.00000
    129       1.9665      0.00000
    130       2.0459      0.00000
    131       2.1735      0.00000
    132       2.1964      0.00000
    133       2.4086      0.00000
    134       2.4675      0.00000
    135       2.5356      0.00000
    136       2.6043      0.00000
    137       2.6396      0.00000
    138       2.6944      0.00000
    139       2.7726      0.00000
    140       2.8319      0.00000
    141       2.9466      0.00000
    142       3.0790      0.00000
    143       3.1993      0.00000
    144       3.2158      0.00000
    145       3.2624      0.00000
    146       3.3219      0.00000
    147       3.3271      0.00000
    148       3.4664      0.00000
    149       3.4969      0.00000
    150       3.6992      0.00000
    151       3.7103      0.00000
    152       3.7301      0.00000
    153       3.8565      0.00000
    154       3.9162      0.00000
    155       3.9411      0.00000
    156       3.9797      0.00000
    157       4.0172      0.00000
    158       4.0337      0.00000
    159       4.0472      0.00000
    160       4.0672      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2118      1.00000
      2     -22.1188      1.00000
      3     -21.9581      1.00000
      4     -21.4056      1.00000
      5     -21.0510      1.00000
      6     -21.0150      1.00000
      7     -20.5018      1.00000
      8     -20.4624      1.00000
      9     -20.2960      1.00000
     10     -20.2767      1.00000
     11     -19.9586      1.00000
     12     -19.8929      1.00000
     13     -18.8835      1.00000
     14     -18.8148      1.00000
     15     -18.3537      1.00000
     16     -18.3075      1.00000
     17     -18.1539      1.00000
     18     -18.1367      1.00000
     19     -17.8276      1.00000
     20     -17.7900      1.00000
     21     -17.2524      1.00000
     22     -17.2424      1.00000
     23     -17.1654      1.00000
     24     -17.1336      1.00000
     25     -16.1109      1.00000
     26     -15.8864      1.00000
     27     -15.8711      1.00000
     28     -15.8349      1.00000
     29     -15.2370      1.00000
     30     -14.5558      1.00000
     31     -14.5279      1.00000
     32     -14.2807      1.00000
     33     -13.9644      1.00000
     34     -13.9569      1.00000
     35     -13.8208      1.00000
     36     -13.8050      1.00000
     37     -13.6153      1.00000
     38     -13.5715      1.00000
     39     -13.3709      1.00000
     40     -12.6353      1.00000
     41     -12.1815      1.00000
     42     -12.1335      1.00000
     43     -12.0729      1.00000
     44     -12.0206      1.00000
     45     -11.6700      1.00000
     46     -11.6565      1.00000
     47     -11.1394      1.00000
     48     -11.1188      1.00000
     49     -10.7953      1.00000
     50     -10.7318      1.00000
     51     -10.5294      1.00000
     52     -10.2090      1.00000
     53     -10.2063      1.00000
     54     -10.1653      1.00000
     55     -10.0183      1.00000
     56     -10.0048      1.00000
     57      -9.9912      1.00000
     58      -9.8017      1.00000
     59      -9.7979      1.00000
     60      -9.7626      1.00000
     61      -9.7578      1.00000
     62      -9.4551      1.00000
     63      -9.4179      1.00000
     64      -9.0810      1.00000
     65      -9.0728      1.00000
     66      -9.0412      1.00000
     67      -8.9557      1.00000
     68      -8.8778      1.00000
     69      -8.7125      1.00000
     70      -8.7002      1.00000
     71      -8.5663      1.00000
     72      -8.5434      1.00000
     73      -8.4997      1.00000
     74      -8.4629      1.00000
     75      -8.4537      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0437      1.00000
     79      -7.9159      1.00000
     80      -7.8635      1.00000
     81      -7.6151      1.00000
     82      -7.5488      1.00000
     83      -7.4901      1.00000
     84      -7.2680      1.00000
     85      -6.9953      1.00000
     86      -6.9232      1.00000
     87      -6.8821      1.00000
     88      -6.5326      1.00000
     89      -6.4873      1.00000
     90      -6.4614      1.00000
     91      -6.4104      1.00000
     92      -5.9840      1.00000
     93      -5.8976      1.00000
     94      -5.7847      1.00000
     95      -5.7597      1.00000
     96      -5.4322      1.00000
     97      -5.3293      1.00000
     98      -5.2303      1.00000
     99      -5.2178      1.00000
    100      -5.1884      1.00000
    101      -4.6922      1.00000
    102      -4.4214      1.00000
    103      -4.2095      1.00000
    104      -3.8340      1.00000
    105      -3.5291      1.00000
    106      -3.2741      1.00000
    107      -2.5311      0.00000
    108      -1.4580      0.00000
    109      -1.2666      0.00000
    110      -1.2028      0.00000
    111      -1.1724      0.00000
    112      -0.7196      0.00000
    113      -0.5034      0.00000
    114      -0.4118      0.00000
    115      -0.3394      0.00000
    116      -0.1458      0.00000
    117      -0.0027      0.00000
    118       0.1939      0.00000
    119       0.5613      0.00000
    120       0.6126      0.00000
    121       0.7955      0.00000
    122       0.9058      0.00000
    123       1.1314      0.00000
    124       1.4915      0.00000
    125       1.6337      0.00000
    126       1.8494      0.00000
    127       1.9254      0.00000
    128       2.1036      0.00000
    129       2.1136      0.00000
    130       2.1598      0.00000
    131       2.1916      0.00000
    132       2.2799      0.00000
    133       2.3438      0.00000
    134       2.4731      0.00000
    135       2.5831      0.00000
    136       2.6563      0.00000
    137       2.8529      0.00000
    138       2.8712      0.00000
    139       2.8926      0.00000
    140       3.0096      0.00000
    141       3.0193      0.00000
    142       3.1386      0.00000
    143       3.1873      0.00000
    144       3.2302      0.00000
    145       3.2720      0.00000
    146       3.2832      0.00000
    147       3.2998      0.00000
    148       3.3457      0.00000
    149       3.4228      0.00000
    150       3.4482      0.00000
    151       3.5538      0.00000
    152       3.6240      0.00000
    153       3.7149      0.00000
    154       3.7371      0.00000
    155       3.7711      0.00000
    156       3.8940      0.00000
    157       3.9382      0.00000
    158       4.0031      0.00000
    159       4.1280      0.00000
    160       4.2208      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3186      1.00000
      2     -21.9656      1.00000
      3     -21.8934      1.00000
      4     -21.3858      1.00000
      5     -21.3494      1.00000
      6     -20.8406      1.00000
      7     -20.7742      1.00000
      8     -20.6261      1.00000
      9     -20.0906      1.00000
     10     -20.0618      1.00000
     11     -19.7194      1.00000
     12     -19.6907      1.00000
     13     -19.0107      1.00000
     14     -18.9796      1.00000
     15     -18.6506      1.00000
     16     -18.6179      1.00000
     17     -18.4615      1.00000
     18     -17.6612      1.00000
     19     -17.6475      1.00000
     20     -17.6113      1.00000
     21     -17.5788      1.00000
     22     -17.1379      1.00000
     23     -17.0980      1.00000
     24     -16.9663      1.00000
     25     -16.0086      1.00000
     26     -15.9238      1.00000
     27     -15.5997      1.00000
     28     -15.5762      1.00000
     29     -15.2803      1.00000
     30     -14.8774      1.00000
     31     -14.8303      1.00000
     32     -14.5752      1.00000
     33     -14.5374      1.00000
     34     -14.1643      1.00000
     35     -14.1602      1.00000
     36     -13.1626      1.00000
     37     -13.0968      1.00000
     38     -13.0237      1.00000
     39     -13.0189      1.00000
     40     -12.7184      1.00000
     41     -12.6951      1.00000
     42     -12.3413      1.00000
     43     -12.3141      1.00000
     44     -11.6317      1.00000
     45     -11.6225      1.00000
     46     -11.5706      1.00000
     47     -10.9411      1.00000
     48     -10.9233      1.00000
     49     -10.6694      1.00000
     50     -10.5901      1.00000
     51     -10.5735      1.00000
     52     -10.5010      1.00000
     53     -10.4896      1.00000
     54     -10.4393      1.00000
     55     -10.3567      1.00000
     56     -10.1044      1.00000
     57      -9.8984      1.00000
     58      -9.6091      1.00000
     59      -9.5519      1.00000
     60      -9.4548      1.00000
     61      -9.4180      1.00000
     62      -9.4098      1.00000
     63      -9.3798      1.00000
     64      -9.3727      1.00000
     65      -9.2680      1.00000
     66      -9.1651      1.00000
     67      -9.1412      1.00000
     68      -9.1158      1.00000
     69      -8.8662      1.00000
     70      -8.8601      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1931      1.00000
     75      -8.1705      1.00000
     76      -8.0761      1.00000
     77      -7.8579      1.00000
     78      -7.8371      1.00000
     79      -7.8241      1.00000
     80      -7.7105      1.00000
     81      -7.6961      1.00000
     82      -7.5977      1.00000
     83      -7.5301      1.00000
     84      -7.3506      1.00000
     85      -7.1679      1.00000
     86      -6.9051      1.00000
     87      -6.8958      1.00000
     88      -6.5927      1.00000
     89      -6.5515      1.00000
     90      -6.4061      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2008      1.00000
     94      -6.0041      1.00000
     95      -5.5319      1.00000
     96      -5.4653      1.00000
     97      -5.3142      1.00000
     98      -5.2096      1.00000
     99      -5.0470      1.00000
    100      -4.7235      1.00000
    101      -4.6716      1.00000
    102      -4.4239      1.00000
    103      -4.1947      1.00000
    104      -3.8428      1.00000
    105      -3.6344      1.00000
    106      -3.4162      1.00000
    107      -2.2924      0.00000
    108      -1.5093      0.00000
    109      -1.2699      0.00000
    110      -1.2623      0.00000
    111      -1.0343      0.00000
    112      -0.9777      0.00000
    113      -0.8680      0.00000
    114      -0.7997      0.00000
    115      -0.2616      0.00000
    116       0.2045      0.00000
    117       0.2396      0.00000
    118       0.3600      0.00000
    119       0.6899      0.00000
    120       0.8942      0.00000
    121       0.9238      0.00000
    122       1.0398      0.00000
    123       1.1660      0.00000
    124       1.5087      0.00000
    125       1.5570      0.00000
    126       1.7094      0.00000
    127       1.7787      0.00000
    128       1.8340      0.00000
    129       1.9653      0.00000
    130       1.9830      0.00000
    131       2.1875      0.00000
    132       2.2587      0.00000
    133       2.4128      0.00000
    134       2.4743      0.00000
    135       2.5347      0.00000
    136       2.6004      0.00000
    137       2.6188      0.00000
    138       2.6976      0.00000
    139       2.7529      0.00000
    140       2.8608      0.00000
    141       3.0343      0.00000
    142       3.0773      0.00000
    143       3.1898      0.00000
    144       3.2486      0.00000
    145       3.2652      0.00000
    146       3.2984      0.00000
    147       3.3488      0.00000
    148       3.4511      0.00000
    149       3.5182      0.00000
    150       3.6910      0.00000
    151       3.7170      0.00000
    152       3.7523      0.00000
    153       3.8310      0.00000
    154       3.8915      0.00000
    155       3.9288      0.00000
    156       3.9771      0.00000
    157       4.0076      0.00000
    158       4.0450      0.00000
    159       4.0489      0.00000
    160       4.0870      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3908      1.00000
      2     -21.8320      1.00000
      3     -21.6426      1.00000
      4     -21.6076      1.00000
      5     -21.2799      1.00000
      6     -21.2329      1.00000
      7     -21.0576      1.00000
      8     -20.1725      1.00000
      9     -20.1263      1.00000
     10     -19.6178      1.00000
     11     -19.5916      1.00000
     12     -19.4166      1.00000
     13     -19.0955      1.00000
     14     -19.0568      1.00000
     15     -19.0524      1.00000
     16     -19.0397      1.00000
     17     -18.3675      1.00000
     18     -18.3478      1.00000
     19     -18.0175      1.00000
     20     -17.0730      1.00000
     21     -17.0242      1.00000
     22     -16.9502      1.00000
     23     -16.9364      1.00000
     24     -16.4752      1.00000
     25     -16.4633      1.00000
     26     -15.6100      1.00000
     27     -15.6095      1.00000
     28     -15.2504      1.00000
     29     -15.2383      1.00000
     30     -15.1922      1.00000
     31     -15.1021      1.00000
     32     -15.0691      1.00000
     33     -14.6987      1.00000
     34     -14.6978      1.00000
     35     -13.7253      1.00000
     36     -13.7252      1.00000
     37     -13.2358      1.00000
     38     -12.6246      1.00000
     39     -12.5805      1.00000
     40     -12.4554      1.00000
     41     -12.4501      1.00000
     42     -12.1052      1.00000
     43     -12.1003      1.00000
     44     -11.7218      1.00000
     45     -11.6832      1.00000
     46     -11.2455      1.00000
     47     -11.2248      1.00000
     48     -11.0181      1.00000
     49     -11.0065      1.00000
     50     -10.9279      1.00000
     51     -10.8993      1.00000
     52     -10.6376      1.00000
     53     -10.1728      1.00000
     54     -10.1499      1.00000
     55     -10.0851      1.00000
     56      -9.9926      1.00000
     57      -9.6965      1.00000
     58      -9.6900      1.00000
     59      -9.6709      1.00000
     60      -9.5914      1.00000
     61      -9.5674      1.00000
     62      -9.5542      1.00000
     63      -9.3131      1.00000
     64      -9.3005      1.00000
     65      -9.2837      1.00000
     66      -9.2429      1.00000
     67      -9.1226      1.00000
     68      -9.1129      1.00000
     69      -9.1112      1.00000
     70      -8.9400      1.00000
     71      -8.8751      1.00000
     72      -8.6048      1.00000
     73      -8.5861      1.00000
     74      -8.2712      1.00000
     75      -8.1015      1.00000
     76      -7.8674      1.00000
     77      -7.8439      1.00000
     78      -7.7907      1.00000
     79      -7.7649      1.00000
     80      -7.7559      1.00000
     81      -7.4472      1.00000
     82      -7.3349      1.00000
     83      -7.3234      1.00000
     84      -7.2663      1.00000
     85      -7.1628      1.00000
     86      -7.0147      1.00000
     87      -6.9867      1.00000
     88      -6.7179      1.00000
     89      -6.6907      1.00000
     90      -6.6318      1.00000
     91      -6.5907      1.00000
     92      -6.1178      1.00000
     93      -6.0589      1.00000
     94      -6.0448      1.00000
     95      -6.0285      1.00000
     96      -5.7480      1.00000
     97      -4.9747      1.00000
     98      -4.8396      1.00000
     99      -4.7090      1.00000
    100      -4.6734      1.00000
    101      -4.4836      1.00000
    102      -4.3522      1.00000
    103      -4.1119      1.00000
    104      -4.0555      1.00000
    105      -3.7549      1.00000
    106      -3.4654      1.00000
    107      -1.9505      0.00000
    108      -1.7710      0.00000
    109      -1.4797      0.00000
    110      -1.3555      0.00000
    111      -1.3358      0.00000
    112      -1.2925      0.00000
    113      -0.6785      0.00000
    114      -0.4718      0.00000
    115      -0.2354      0.00000
    116       0.0517      0.00000
    117       0.5864      0.00000
    118       0.6925      0.00000
    119       0.7701      0.00000
    120       1.0227      0.00000
    121       1.0971      0.00000
    122       1.1764      0.00000
    123       1.2498      0.00000
    124       1.3338      0.00000
    125       1.4319      0.00000
    126       1.5960      0.00000
    127       1.7663      0.00000
    128       1.8422      0.00000
    129       1.8609      0.00000
    130       1.8870      0.00000
    131       2.0480      0.00000
    132       2.2165      0.00000
    133       2.2300      0.00000
    134       2.2835      0.00000
    135       2.4789      0.00000
    136       2.6147      0.00000
    137       2.6469      0.00000
    138       2.7490      0.00000
    139       2.7919      0.00000
    140       2.8362      0.00000
    141       2.8470      0.00000
    142       2.8792      0.00000
    143       2.9536      0.00000
    144       3.0810      0.00000
    145       3.3176      0.00000
    146       3.3571      0.00000
    147       3.4094      0.00000
    148       3.4215      0.00000
    149       3.4230      0.00000
    150       3.5971      0.00000
    151       3.6542      0.00000
    152       3.6712      0.00000
    153       3.7273      0.00000
    154       3.8928      0.00000
    155       3.9242      0.00000
    156       3.9579      0.00000
    157       4.1118      0.00000
    158       4.2065      0.00000
    159       4.2491      0.00000
    160       4.2820      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2109      1.00000
      2     -22.1202      1.00000
      3     -21.9578      1.00000
      4     -21.4057      1.00000
      5     -21.0471      1.00000
      6     -21.0189      1.00000
      7     -20.4970      1.00000
      8     -20.4671      1.00000
      9     -20.2872      1.00000
     10     -20.2852      1.00000
     11     -19.9575      1.00000
     12     -19.8944      1.00000
     13     -18.8841      1.00000
     14     -18.8165      1.00000
     15     -18.3385      1.00000
     16     -18.3195      1.00000
     17     -18.1498      1.00000
     18     -18.1423      1.00000
     19     -17.8165      1.00000
     20     -17.7985      1.00000
     21     -17.2586      1.00000
     22     -17.2390      1.00000
     23     -17.1607      1.00000
     24     -17.1359      1.00000
     25     -16.1174      1.00000
     26     -15.8811      1.00000
     27     -15.8700      1.00000
     28     -15.8408      1.00000
     29     -15.2313      1.00000
     30     -14.5512      1.00000
     31     -14.5329      1.00000
     32     -14.2760      1.00000
     33     -13.9755      1.00000
     34     -13.9518      1.00000
     35     -13.8252      1.00000
     36     -13.8029      1.00000
     37     -13.6043      1.00000
     38     -13.5791      1.00000
     39     -13.3711      1.00000
     40     -12.6395      1.00000
     41     -12.1690      1.00000
     42     -12.1427      1.00000
     43     -12.0684      1.00000
     44     -12.0216      1.00000
     45     -11.6654      1.00000
     46     -11.6607      1.00000
     47     -11.1368      1.00000
     48     -11.1257      1.00000
     49     -10.7904      1.00000
     50     -10.7343      1.00000
     51     -10.5361      1.00000
     52     -10.2089      1.00000
     53     -10.2027      1.00000
     54     -10.1710      1.00000
     55     -10.0232      1.00000
     56      -9.9948      1.00000
     57      -9.9906      1.00000
     58      -9.8054      1.00000
     59      -9.7964      1.00000
     60      -9.7648      1.00000
     61      -9.7568      1.00000
     62      -9.4543      1.00000
     63      -9.4178      1.00000
     64      -9.0851      1.00000
     65      -9.0462      1.00000
     66      -9.0259      1.00000
     67      -8.9697      1.00000
     68      -8.8981      1.00000
     69      -8.7085      1.00000
     70      -8.6993      1.00000
     71      -8.5599      1.00000
     72      -8.5491      1.00000
     73      -8.4781      1.00000
     74      -8.4598      1.00000
     75      -8.4570      1.00000
     76      -8.3087      1.00000
     77      -8.0954      1.00000
     78      -8.0896      1.00000
     79      -7.9268      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5368      1.00000
     83      -7.4437      1.00000
     84      -7.3142      1.00000
     85      -6.9941      1.00000
     86      -6.9194      1.00000
     87      -6.8824      1.00000
     88      -6.5275      1.00000
     89      -6.5149      1.00000
     90      -6.4807      1.00000
     91      -6.4207      1.00000
     92      -5.9272      1.00000
     93      -5.9054      1.00000
     94      -5.7889      1.00000
     95      -5.7750      1.00000
     96      -5.3694      1.00000
     97      -5.3632      1.00000
     98      -5.2204      1.00000
     99      -5.2154      1.00000
    100      -5.1988      1.00000
    101      -4.7203      1.00000
    102      -4.4423      1.00000
    103      -4.1908      1.00000
    104      -3.8204      1.00000
    105      -3.5654      1.00000
    106      -3.2214      1.00000
    107      -2.5625      0.00000
    108      -1.4631      0.00000
    109      -1.2672      0.00000
    110      -1.1851      0.00000
    111      -1.1836      0.00000
    112      -0.6447      0.00000
    113      -0.5513      0.00000
    114      -0.4146      0.00000
    115      -0.3473      0.00000
    116      -0.0775      0.00000
    117      -0.0633      0.00000
    118       0.1260      0.00000
    119       0.5932      0.00000
    120       0.6265      0.00000
    121       0.8541      0.00000
    122       0.9844      0.00000
    123       1.0026      0.00000
    124       1.4933      0.00000
    125       1.6827      0.00000
    126       1.7612      0.00000
    127       1.8581      0.00000
    128       2.1101      0.00000
    129       2.1537      0.00000
    130       2.1928      0.00000
    131       2.2103      0.00000
    132       2.2585      0.00000
    133       2.3580      0.00000
    134       2.4930      0.00000
    135       2.5182      0.00000
    136       2.6626      0.00000
    137       2.8526      0.00000
    138       2.8591      0.00000
    139       2.9522      0.00000
    140       2.9964      0.00000
    141       3.0340      0.00000
    142       3.1341      0.00000
    143       3.2009      0.00000
    144       3.2439      0.00000
    145       3.2461      0.00000
    146       3.2793      0.00000
    147       3.3025      0.00000
    148       3.3539      0.00000
    149       3.4234      0.00000
    150       3.5493      0.00000
    151       3.5654      0.00000
    152       3.6454      0.00000
    153       3.6645      0.00000
    154       3.7106      0.00000
    155       3.7339      0.00000
    156       3.8959      0.00000
    157       3.9586      0.00000
    158       4.0343      0.00000
    159       4.0729      0.00000
    160       4.1818      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2844      1.00000
      2     -22.0798      1.00000
      3     -21.7214      1.00000
      4     -21.6822      1.00000
      5     -20.9839      1.00000
      6     -20.9361      1.00000
      7     -20.6124      1.00000
      8     -20.5802      1.00000
      9     -20.5666      1.00000
     10     -20.0332      1.00000
     11     -19.5142      1.00000
     12     -19.4841      1.00000
     13     -19.3122      1.00000
     14     -19.2992      1.00000
     15     -18.4505      1.00000
     16     -18.4073      1.00000
     17     -17.9282      1.00000
     18     -17.9078      1.00000
     19     -17.7667      1.00000
     20     -17.7218      1.00000
     21     -17.4422      1.00000
     22     -17.4237      1.00000
     23     -17.3388      1.00000
     24     -16.4713      1.00000
     25     -16.4611      1.00000
     26     -15.9713      1.00000
     27     -15.4114      1.00000
     28     -15.4105      1.00000
     29     -15.0963      1.00000
     30     -15.0933      1.00000
     31     -14.8535      1.00000
     32     -14.8411      1.00000
     33     -14.2984      1.00000
     34     -14.2547      1.00000
     35     -13.4447      1.00000
     36     -13.4009      1.00000
     37     -13.1754      1.00000
     38     -13.1740      1.00000
     39     -12.9864      1.00000
     40     -12.9774      1.00000
     41     -12.6109      1.00000
     42     -12.6088      1.00000
     43     -12.1973      1.00000
     44     -11.5797      1.00000
     45     -11.5386      1.00000
     46     -11.3136      1.00000
     47     -11.2833      1.00000
     48     -11.1424      1.00000
     49     -10.6925      1.00000
     50     -10.6631      1.00000
     51     -10.5474      1.00000
     52     -10.3227      1.00000
     53     -10.3150      1.00000
     54     -10.1761      1.00000
     55     -10.1214      1.00000
     56     -10.1081      1.00000
     57      -9.8119      1.00000
     58      -9.7529      1.00000
     59      -9.7524      1.00000
     60      -9.7026      1.00000
     61      -9.6987      1.00000
     62      -9.6473      1.00000
     63      -9.3529      1.00000
     64      -9.3515      1.00000
     65      -9.3179      1.00000
     66      -9.0282      1.00000
     67      -8.9618      1.00000
     68      -8.9580      1.00000
     69      -8.7758      1.00000
     70      -8.5916      1.00000
     71      -8.5885      1.00000
     72      -8.4240      1.00000
     73      -8.3499      1.00000
     74      -8.3225      1.00000
     75      -8.3023      1.00000
     76      -8.2657      1.00000
     77      -8.2541      1.00000
     78      -8.2393      1.00000
     79      -7.9216      1.00000
     80      -7.7341      1.00000
     81      -7.3798      1.00000
     82      -7.3502      1.00000
     83      -7.3236      1.00000
     84      -7.2175      1.00000
     85      -7.1604      1.00000
     86      -7.0654      1.00000
     87      -6.9609      1.00000
     88      -6.9053      1.00000
     89      -6.6132      1.00000
     90      -6.5568      1.00000
     91      -6.2708      1.00000
     92      -5.9967      1.00000
     93      -5.9595      1.00000
     94      -5.6753      1.00000
     95      -5.6487      1.00000
     96      -5.3875      1.00000
     97      -5.3151      1.00000
     98      -5.2940      1.00000
     99      -5.2120      1.00000
    100      -5.2004      1.00000
    101      -4.5115      1.00000
    102      -4.3387      1.00000
    103      -3.9965      1.00000
    104      -3.8859      1.00000
    105      -3.7928      1.00000
    106      -3.4432      1.00000
    107      -2.0344      0.00000
    108      -1.8633      0.00000
    109      -1.2175      0.00000
    110      -1.1841      0.00000
    111      -1.0357      0.00000
    112      -0.7721      0.00000
    113      -0.6772      0.00000
    114      -0.6598      0.00000
    115      -0.6096      0.00000
    116      -0.1017      0.00000
    117       0.2226      0.00000
    118       0.2397      0.00000
    119       0.7685      0.00000
    120       0.9829      0.00000
    121       1.0738      0.00000
    122       1.2412      0.00000
    123       1.2510      0.00000
    124       1.3401      0.00000
    125       1.5774      0.00000
    126       1.5852      0.00000
    127       1.6989      0.00000
    128       1.7977      0.00000
    129       1.9442      0.00000
    130       1.9578      0.00000
    131       2.0919      0.00000
    132       2.3006      0.00000
    133       2.3428      0.00000
    134       2.4144      0.00000
    135       2.5410      0.00000
    136       2.6274      0.00000
    137       2.7744      0.00000
    138       2.8346      0.00000
    139       2.8416      0.00000
    140       2.8637      0.00000
    141       3.0416      0.00000
    142       3.0982      0.00000
    143       3.1494      0.00000
    144       3.2192      0.00000
    145       3.3761      0.00000
    146       3.4149      0.00000
    147       3.5004      0.00000
    148       3.5434      0.00000
    149       3.5908      0.00000
    150       3.6073      0.00000
    151       3.6462      0.00000
    152       3.7338      0.00000
    153       3.7437      0.00000
    154       3.7783      0.00000
    155       3.8240      0.00000
    156       3.8801      0.00000
    157       4.0258      0.00000
    158       4.0842      0.00000
    159       4.1658      0.00000
    160       4.2091      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0416   -7.3901    4.1982   -1.2758   -0.2386   17.5938    0.1473   -0.5324    0.6337   -0.4648
x    -3.0926   -0.0374   -0.0631    0.0616   -0.0091   -2.9773   -0.0109   -0.0070    0.0049    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0416    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0939   -0.0087    0.0374    0.0377
y    -0.0458   -3.2478   -0.5380   -0.1636   -1.1810   -0.6054
z   204.0416    1.1260   -0.2804    0.0408    0.0090    0.0616    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0777    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1654
z    -0.2831    0.1873   -0.0390    0.0470   -0.1050    0.0013
 total charge-density along one line
x   212.0000  -10.2204    6.1462   -2.0858   -0.4744   19.5111   -0.9959    0.4742   -0.0449   -0.1261
x    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2204    6.1462   -2.0858   -0.4744   19.5111   -0.9960    0.4742   -0.0449   -0.1261
y    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4925  189.2923 -170.3680  153.6510 -139.4378  125.4340 -110.1203   93.9736  -78.3596
z    64.1503  -51.4980   40.4328  -31.2274   24.1313  -18.9487   15.0353  -11.7221    8.7175   -6.1227
z     4.1324   -2.7606    1.8232   -1.1124    0.5409   -0.1279   -0.1104    0.2272   -0.3090    0.4000
z    -0.4767    0.4932   -0.4398    0.3547   -0.2860    0.2512   -0.2335    0.2088   -0.1709    0.1317
z    -0.1037    0.0880   -0.0768    0.0637   -0.0490    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0074    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.030   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.585  -0.238   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.368  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.263   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.261   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.649
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.781   0.000   2.640
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.783   0.000   2.647
 28        0.864   1.785   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.785   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.646
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.860   1.781   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.649
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.870  89.435   8.029 142.334
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  113.94: CPU time   57.50
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  440.69: CPU time  220.89
    STRESS:  VPU time 1352.95: CPU time  679.94
    FORCOR:  VPU time    8.65: CPU time    8.65
    FORHAR:  VPU time    2.28: CPU time    2.28
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force =-0.3137771E-06[-0.308E-06,-0.320E-06]  d Energy = 0.1803328E-06-0.494E-06
 d Force =-0.1596575E-01[-0.160E-01,-0.160E-01]  d Ewald  = 0.1417936E+00-0.158E+00


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726417 eV

  energy  without entropy=     -471.726417  energy(sigma->0) =     -471.726417
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40850.17  40804.66 -47548.99    -39.41      0.00      0.00
  Hartree  40274.17  40255.08 -39532.92    -16.53      0.00      0.00
  E(xc)     -779.46   -779.75   -807.40     -0.25      0.00      0.00
  Local   -83408.31 -83352.75  84396.64     48.12      0.00      0.00
  n-local   -216.85   -215.73   -203.41      0.70      0.00      0.00
  augment     20.05     22.04     17.81      1.73      0.00      0.00
  Kinetic   3162.58   3176.29   3584.10      3.53      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.01      0.05     -0.23      0.04      0.00      0.00
  in kB        0.00      0.03     -0.14      0.02      0.00      0.00
  external pressure =       -0.04 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345131453  0.000685074  0.000000000     0.081000998  0.046760022  0.000000000
    -6.171979077 10.691536067  0.000000000    -0.000005190  0.093528934  0.000000000
     0.000000000  0.000000000 19.986430184     0.000000000  0.000000000  0.050033948

  length of vectors
    12.345131472 12.345131397 19.986430184     0.093528933  0.093528934  0.050033948


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.477E-05 -.490E-04 -.951E+03   0.448E-05 -.278E-04 0.960E+03   -.842E-21 0.170E-20 -.868E+01   0.490E-09 0.169E-10 -.898E-03
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   0.379E-05 -.293E-05 -.300E-04
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   -.379E-05 0.293E-05 -.300E-04
   -.206E+01 0.119E+01 0.163E+02   0.206E+01 -.119E+01 -.162E+02   -.328E-02 0.189E-02 -.242E-01   0.514E-04 -.327E-04 0.194E-04
   0.616E+01 0.684E+01 0.194E+02   -.616E+01 -.686E+01 -.193E+02   0.860E-03 0.214E-01 -.272E-01   -.599E-04 0.105E-03 0.945E-05
   0.112E+02 0.509E+01 0.162E+02   -.112E+02 -.510E+01 -.161E+02   0.203E-01 0.847E-02 -.479E-01   0.207E-04 -.452E-04 -.131E-04
   0.471E+01 -.883E+00 0.126E+02   -.473E+01 0.892E+00 -.126E+02   0.146E-01 -.735E-02 -.176E-01   -.168E-04 -.360E-05 -.394E-04
   -.308E+01 -.252E+01 0.126E+02   0.308E+01 0.252E+01 -.126E+02   -.145E-02 0.273E-02 -.130E-01   0.199E-04 -.252E-04 -.733E-06
   0.645E+00 0.393E+01 0.126E+02   -.646E+00 -.393E+01 -.126E+02   -.309E-02 -.105E-03 -.130E-01   0.263E-04 -.108E-04 -.401E-05
   0.242E+01 0.189E+02 0.240E+02   -.242E+01 -.190E+02 -.240E+02   -.234E-02 0.103E+00 -.486E-01   -.469E-04 -.109E-03 -.185E-04
   0.226E+02 0.214E+02 0.423E+02   -.227E+02 -.216E+02 -.422E+02   0.771E-01 0.262E+00 -.607E-01   0.151E-03 -.372E-04 -.547E-04
   0.268E+02 -.343E+01 0.256E+02   -.271E+02 0.354E+01 -.256E+02   0.269E+00 -.109E+00 -.338E-01   -.578E-04 0.109E-04 -.335E-04
   0.914E+01 -.527E+01 0.136E+02   -.918E+01 0.530E+01 -.136E+02   0.422E-01 -.243E-01 -.120E-01   -.584E-04 0.273E-04 0.716E-05
   0.312E+01 -.364E+01 0.126E+02   -.314E+01 0.365E+01 -.126E+02   0.137E-01 -.900E-02 -.176E-01   -.753E-05 0.121E-04 -.470E-04
   -.593E+01 0.136E+02 0.161E+02   0.593E+01 -.137E+02 -.161E+02   -.113E-02 0.715E-01 -.520E-01   0.156E-04 0.516E-04 -.304E-04
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.314E-01 0.613E+00 0.294E+00   -.315E-04 0.464E-04 -.900E-04
   0.236E+02 -.136E+02 0.940E+02   -.243E+02 0.140E+02 -.961E+02   0.636E+00 -.367E+00 0.205E+01   0.464E-05 -.535E-05 -.803E-04
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.229E+00 -.178E+00 -.338E-01   -.406E-04 0.369E-04 -.379E-04
   0.119E+01 -.122E+02 0.162E+02   -.119E+01 0.123E+02 -.161E+02   0.279E-02 -.218E-01 -.479E-01   0.527E-04 0.351E-05 -.181E-04
   -.414E+01 0.192E+01 0.116E+02   0.414E+01 -.193E+01 -.116E+02   -.246E-03 0.993E-02 -.439E-01   0.465E-04 -.145E-04 -.153E-04
   -.193E+02 0.111E+02 0.217E+02   0.193E+02 -.112E+02 -.217E+02   -.505E-01 0.292E-01 -.433E-01   -.407E-04 0.273E-04 0.194E-05
   -.373E+02 -.785E+01 0.478E+02   0.378E+02 0.813E+01 -.481E+02   -.546E+00 -.279E+00 0.294E+00   -.526E-04 0.336E-05 -.872E-04
   -.718E+01 -.303E+02 0.423E+02   0.736E+01 0.305E+02 -.422E+02   -.188E+00 -.198E+00 -.607E-01   0.111E-03 -.117E-03 -.564E-04
   -.285E+01 -.876E+01 0.194E+02   0.286E+01 0.877E+01 -.193E+02   -.181E-01 -.115E-01 -.272E-01   -.119E-03 -.229E-05 0.879E-05
   0.139E+01 -.801E+00 0.134E+02   -.139E+01 0.803E+00 -.134E+02   0.108E-03 -.625E-04 -.179E-01   0.480E-04 -.256E-04 0.120E-04
   -.374E+01 0.262E+01 0.116E+02   0.374E+01 -.262E+01 -.116E+02   -.873E-02 -.475E-02 -.439E-01   0.377E-04 -.282E-04 -.110E-04
   -.148E+02 -.169E+01 0.161E+02   0.148E+02 0.172E+01 -.161E+02   -.625E-01 -.348E-01 -.520E-01   -.351E-04 -.408E-04 -.235E-04
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.905E-01 -.496E-01 -.486E-01   0.731E-04 0.900E-04 -.159E-04
   0.285E+01 0.876E+01 0.194E+02   -.286E+01 -.877E+01 -.193E+02   0.181E-01 0.115E-01 -.272E-01   0.119E-03 0.229E-05 0.879E-05
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.905E-01 0.496E-01 -.486E-01   -.731E-04 -.900E-04 -.159E-04
   0.148E+02 0.169E+01 0.161E+02   -.148E+02 -.172E+01 -.161E+02   0.625E-01 0.348E-01 -.520E-01   0.351E-04 0.408E-04 -.235E-04
   0.374E+01 -.262E+01 0.116E+02   -.374E+01 0.262E+01 -.116E+02   0.873E-02 0.475E-02 -.439E-01   -.377E-04 0.282E-04 -.110E-04
   -.139E+01 0.801E+00 0.134E+02   0.139E+01 -.803E+00 -.134E+02   -.108E-03 0.625E-04 -.179E-01   -.480E-04 0.256E-04 0.120E-04
   -.119E+01 0.122E+02 0.162E+02   0.119E+01 -.123E+02 -.161E+02   -.279E-02 0.218E-01 -.479E-01   -.527E-04 -.352E-05 -.181E-04
   0.718E+01 0.303E+02 0.423E+02   -.736E+01 -.305E+02 -.422E+02   0.188E+00 0.198E+00 -.607E-01   -.111E-03 0.117E-03 -.564E-04
   0.373E+02 0.785E+01 0.478E+02   -.378E+02 -.813E+01 -.481E+02   0.546E+00 0.279E+00 0.294E+00   0.526E-04 -.336E-05 -.872E-04
   0.193E+02 -.111E+02 0.217E+02   -.193E+02 0.112E+02 -.217E+02   0.505E-01 -.292E-01 -.433E-01   0.407E-04 -.273E-04 0.194E-05
   0.414E+01 -.192E+01 0.116E+02   -.414E+01 0.193E+01 -.116E+02   0.246E-03 -.993E-02 -.439E-01   -.465E-04 0.145E-04 -.153E-04
   -.312E+01 0.364E+01 0.126E+02   0.314E+01 -.365E+01 -.126E+02   -.137E-01 0.900E-02 -.176E-01   0.753E-05 -.121E-04 -.470E-04
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.229E+00 0.178E+00 -.338E-01   0.406E-04 -.369E-04 -.379E-04
   -.236E+02 0.136E+02 0.940E+02   0.243E+02 -.140E+02 -.961E+02   -.636E+00 0.367E+00 0.205E+01   -.464E-05 0.535E-05 -.803E-04
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.314E-01 -.613E+00 0.294E+00   0.315E-04 -.464E-04 -.900E-04
   0.593E+01 -.136E+02 0.161E+02   -.593E+01 0.137E+02 -.161E+02   0.113E-02 -.715E-01 -.520E-01   -.156E-04 -.516E-04 -.304E-04
   -.645E+00 -.393E+01 0.126E+02   0.646E+00 0.393E+01 -.126E+02   0.309E-02 0.105E-03 -.130E-01   -.263E-04 0.108E-04 -.401E-05
   -.914E+01 0.527E+01 0.136E+02   0.918E+01 -.530E+01 -.136E+02   -.422E-01 0.243E-01 -.120E-01   0.584E-04 -.273E-04 0.716E-05
   -.268E+02 0.343E+01 0.256E+02   0.271E+02 -.355E+01 -.256E+02   -.269E+00 0.109E+00 -.338E-01   0.578E-04 -.109E-04 -.335E-04
   -.226E+02 -.214E+02 0.423E+02   0.227E+02 0.216E+02 -.422E+02   -.771E-01 -.262E+00 -.607E-01   -.151E-03 0.372E-04 -.547E-04
   -.242E+01 -.189E+02 0.240E+02   0.242E+01 0.190E+02 -.240E+02   0.234E-02 -.103E+00 -.486E-01   0.469E-04 0.109E-03 -.185E-04
   0.206E+01 -.119E+01 0.163E+02   -.206E+01 0.119E+01 -.162E+02   0.328E-02 -.189E-02 -.242E-01   -.514E-04 0.327E-04 0.194E-04
   0.308E+01 0.252E+01 0.126E+02   -.308E+01 -.252E+01 -.126E+02   0.145E-02 -.273E-02 -.130E-01   -.199E-04 0.252E-04 -.733E-06
   -.471E+01 0.883E+00 0.126E+02   0.473E+01 -.892E+00 -.126E+02   -.146E-01 0.735E-02 -.176E-01   0.168E-04 0.360E-05 -.394E-04
   -.112E+02 -.509E+01 0.162E+02   0.112E+02 0.510E+01 -.161E+02   -.203E-01 -.847E-02 -.479E-01   -.207E-04 0.452E-04 -.131E-04
   -.616E+01 -.684E+01 0.194E+02   0.616E+01 0.686E+01 -.193E+02   -.860E-03 -.214E-01 -.272E-01   0.599E-04 -.105E-03 0.945E-05
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.289E-03 0.101E+02   0.320E-12 0.112E-12 0.746E-13   0.425E-16 -.198E-15 -.100E+02   0.266E-08 -.158E-08 -.219E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85210      6.05883     12.26474         0.000000      0.000000      0.022047
      1.07497      6.50751     13.52424         0.001538     -0.000888      0.008886
      2.62923      5.61016     13.52424        -0.001538      0.000888      0.008886
      0.00015     -0.00009      9.91084        -0.002321      0.001340      0.000099
     -1.23474      2.13683      9.90950        -0.000381      0.001527      0.000028
     -2.46994      4.27634      9.92948        -0.002666      0.002306     -0.000414
     -3.70363      6.41500      9.93718        -0.002048      0.001467     -0.000943
     -4.93735      8.55321      9.92776        -0.004222      0.002133     -0.000514
      2.46916     -0.00006      9.92776        -0.003958      0.002590     -0.000514
      1.23392      2.13662      9.91903        -0.003416      0.001468     -0.001272
     -0.00265      4.27070      9.93154        -0.003711      0.003521     -0.002484
     -1.23832      6.41562      9.95363        -0.000234      0.001329     -0.001168
     -2.46890      8.55356      9.93906        -0.001139      0.000658      0.000615
      4.93776      0.00062      9.93718        -0.002295      0.001040     -0.000943
      3.70409      2.13669      9.94049        -0.001522     -0.000553     -0.001326
      2.46984      4.26841      9.96809        -0.003487      0.000983     -0.002489
      1.22909      6.41853      9.97432        -0.004686      0.002706      0.001444
     -0.00209      8.55683      9.95363        -0.001268     -0.000462     -0.001168
      7.40674      0.00154      9.92948        -0.003330      0.001155     -0.000414
      6.17243      2.13877      9.93581        -0.002979      0.001735     -0.000571
      4.93890      4.27667      9.94854         0.000542     -0.000313     -0.000050
      3.71153      6.41907      9.96809        -0.002595      0.002528     -0.002489
      2.47329      8.55916      9.93154        -0.004905      0.001453     -0.002484
      9.87722      0.00159      9.90950        -0.001513     -0.000433      0.000028
      8.64160      2.13892      9.92069        -0.003194      0.001844      0.000291
      7.40714      4.27736      9.93581        -0.002992      0.001713     -0.000571
      6.17477      6.41604      9.94049        -0.000282      0.001594     -0.001326
      4.93975      8.55530      9.91903        -0.002980      0.002224     -0.001272
     -0.00103      1.42455      9.90950         0.001513      0.000433      0.000028
     -1.23554      3.56237      9.91903         0.002980     -0.002224     -0.001272
     -2.47057      5.70163      9.94049         0.000282     -0.001594     -0.001326
     -3.70294      7.84031      9.93581         0.002992     -0.001713     -0.000571
     -4.93739      9.97875      9.92069         0.003194     -0.001844      0.000291
      2.46944      1.42459      9.92948         0.003330     -0.001155     -0.000414
      1.23091      3.55851      9.93154         0.004905     -0.001453     -0.002484
     -0.00732      5.69860      9.96809         0.002595     -0.002528     -0.002489
     -1.23469      7.84100      9.94854        -0.000542      0.000313     -0.000050
     -2.46822      9.97890      9.93581         0.002979     -0.001735     -0.000571
      4.93842      1.42551      9.93718         0.002295     -0.001040     -0.000943
      3.70630      3.56084      9.95363         0.001268      0.000462     -0.001168
      2.47511      5.69914      9.97432         0.004686     -0.002706      0.001444
      1.23436      7.84926      9.96809         0.003487     -0.000983     -0.002489
      0.00011      9.98098      9.94049         0.001522      0.000553     -0.001326
      7.40702      1.42619      9.92776         0.003958     -0.002590     -0.000514
      6.17310      3.56410      9.93906         0.001139     -0.000658      0.000615
      4.94253      5.70205      9.95363         0.000234     -0.001329     -0.001168
      3.70685      7.84697      9.93154         0.003711     -0.003521     -0.002484
      2.47028      9.98105      9.91903         0.003416     -0.001468     -0.001272
      9.87603      1.42622      9.91084         0.002321     -0.001340      0.000099
      8.64155      3.56446      9.92776         0.004222     -0.002133     -0.000514
      7.40784      5.70266      9.93718         0.002048     -0.001467     -0.000943
      6.17415      7.84133      9.92948         0.002666     -0.002306     -0.000414
      4.93894      9.98084      9.90950         0.000381     -0.001527      0.000028
 -----------------------------------------------------------------------------------
    total drift:                               -0.001802      0.000289      0.016875


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.93: CPU time    1.94
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.33: CPU time    1.34
    ORTHCH:  VPU time  183.45: CPU time   91.82
     LOOP+:  VPU time 4905.72: CPU time 2523.81


----------------------------------------- Iteration   29(   1)  ---------------------------------------


    POTLOK:  VPU time    9.08: CPU time    9.01
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 1340.79: CPU time  692.51
 BZINTS: Fermi energy: -3.185249;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  112.00: CPU time   56.63
    MIXING:  VPU time    0.16: CPU time    0.17
    ------------------------------------------
      LOOP:  VPU time 1462.43: CPU time  758.68

 eigenvalue-minimisations  :  3880
 total energy-change (2. order) :-0.4717264E+03  (-0.8725150E-07)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583568 magnetization    0.0000002

 Broyden mixing:
  rms(total) = 0.50105E-04    rms(broyden)= 0.50101E-04
  rms(prec ) = 0.56737E-04
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34105.79127174
  -1/2 Hartree   DENC   =    -40996.29133901
  -V(xc)+E(xc)   XCENC  =       726.60551889
  PAW double counting   =      4094.28017198    -4132.62796189
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.92393257
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641725 eV

  energy without entropy =     -471.72641725  energy(sigma->0) =     -471.72641725


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   29(   2)  ---------------------------------------


    POTLOK:  VPU time    9.08: CPU time    9.08
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1315.11: CPU time  679.91
 BZINTS: Fermi energy: -3.185187;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1324.59: CPU time  689.36

 eigenvalue-minimisations  :  3776
 total energy-change (2. order) :-0.4938556E-07  (-0.2259659E-07)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583568 magnetization    0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34105.79127174
  -1/2 Hartree   DENC   =    -40996.28540446
  -V(xc)+E(xc)   XCENC  =       726.60535090
  PAW double counting   =      4094.27678837    -4132.62459395
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.92968350
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641730 eV

  energy without entropy =     -471.72641730  energy(sigma->0) =     -471.72641730


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2179       2 -39.5362       3 -39.5363       4 -58.3138       5 -58.3177
       6 -58.3202       7 -58.3148       8 -58.3151       9 -58.3151      10 -58.3216
      11 -58.3877      12 -58.3517      13 -58.3231      14 -58.3148      15 -58.3246
      16 -58.5427      17 -58.7297      18 -58.3517      19 -58.3202      20 -58.3199
      21 -58.3578      22 -58.5427      23 -58.3878      24 -58.3178      25 -58.3230
      26 -58.3199      27 -58.3246      28 -58.3216      29 -58.3176      30 -58.3215
      31 -58.3245      32 -58.3198      33 -58.3229      34 -58.3201      35 -58.3877
      36 -58.5426      37 -58.3577      38 -58.3198      39 -58.3147      40 -58.3516
      41 -58.7296      42 -58.5426      43 -58.3245      44 -58.3150      45 -58.3230
      46 -58.3516      47 -58.3877      48 -58.3215      49 -58.3137      50 -58.3150
      51 -58.3147      52 -58.3202      53 -58.3176
 
 
 
 E-fermi :  -3.1852     XC(G=0):  -2.3427     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4276      1.00000
      2     -21.6043      1.00000
      3     -21.4826      1.00000
      4     -21.4735      1.00000
      5     -21.4419      1.00000
      6     -21.4412      1.00000
      7     -21.4310      1.00000
      8     -19.7085      1.00000
      9     -19.6535      1.00000
     10     -19.6302      1.00000
     11     -19.6192      1.00000
     12     -19.6139      1.00000
     13     -19.6129      1.00000
     14     -18.7906      1.00000
     15     -18.7554      1.00000
     16     -18.7356      1.00000
     17     -18.7261      1.00000
     18     -18.7190      1.00000
     19     -18.7137      1.00000
     20     -16.6354      1.00000
     21     -16.6095      1.00000
     22     -16.5851      1.00000
     23     -16.5817      1.00000
     24     -16.5547      1.00000
     25     -16.5530      1.00000
     26     -15.6153      1.00000
     27     -15.6026      1.00000
     28     -15.5994      1.00000
     29     -15.5653      1.00000
     30     -15.5635      1.00000
     31     -15.5626      1.00000
     32     -14.2603      1.00000
     33     -14.2510      1.00000
     34     -14.2410      1.00000
     35     -14.2360      1.00000
     36     -14.2228      1.00000
     37     -14.2199      1.00000
     38     -11.9060      1.00000
     39     -11.8790      1.00000
     40     -11.8679      1.00000
     41     -11.8658      1.00000
     42     -11.8450      1.00000
     43     -11.8448      1.00000
     44     -11.7715      1.00000
     45     -11.7688      1.00000
     46     -11.7361      1.00000
     47     -11.7294      1.00000
     48     -11.7252      1.00000
     49     -11.7228      1.00000
     50     -10.6766      1.00000
     51     -10.3890      1.00000
     52     -10.3840      1.00000
     53     -10.3770      1.00000
     54     -10.3692      1.00000
     55     -10.3559      1.00000
     56     -10.3538      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4060      1.00000
     60      -9.3629      1.00000
     61      -9.3623      1.00000
     62      -9.3545      1.00000
     63      -9.1425      1.00000
     64      -9.1219      1.00000
     65      -9.1212      1.00000
     66      -9.0848      1.00000
     67      -9.0719      1.00000
     68      -9.0713      1.00000
     69      -9.0711      1.00000
     70      -9.0642      1.00000
     71      -9.0641      1.00000
     72      -9.0385      1.00000
     73      -9.0289      1.00000
     74      -9.0257      1.00000
     75      -8.1301      1.00000
     76      -7.7457      1.00000
     77      -7.4687      1.00000
     78      -7.4666      1.00000
     79      -7.4538      1.00000
     80      -7.4342      1.00000
     81      -7.4246      1.00000
     82      -7.4066      1.00000
     83      -7.3130      1.00000
     84      -7.2712      1.00000
     85      -7.2575      1.00000
     86      -7.2491      1.00000
     87      -7.1507      1.00000
     88      -7.0494      1.00000
     89      -6.4463      1.00000
     90      -6.4161      1.00000
     91      -6.4005      1.00000
     92      -6.3637      1.00000
     93      -6.3530      1.00000
     94      -6.3407      1.00000
     95      -5.9584      1.00000
     96      -5.9581      1.00000
     97      -4.8064      1.00000
     98      -4.5444      1.00000
     99      -4.4814      1.00000
    100      -4.4743      1.00000
    101      -4.3822      1.00000
    102      -4.3817      1.00000
    103      -4.2677      1.00000
    104      -4.1872      1.00000
    105      -3.7392      1.00000
    106      -3.4775      1.00000
    107      -1.8619      0.00000
    108      -1.6706      0.00000
    109      -1.6241      0.00000
    110      -1.5913      0.00000
    111      -1.5758      0.00000
    112      -1.5748      0.00000
    113      -0.4288      0.00000
    114       0.1458      0.00000
    115       0.1921      0.00000
    116       0.2557      0.00000
    117       0.2675      0.00000
    118       0.2715      0.00000
    119       0.4771      0.00000
    120       0.5472      0.00000
    121       1.2470      0.00000
    122       1.2900      0.00000
    123       1.5347      0.00000
    124       1.7707      0.00000
    125       1.7735      0.00000
    126       1.7739      0.00000
    127       1.8044      0.00000
    128       1.8296      0.00000
    129       1.9587      0.00000
    130       1.9687      0.00000
    131       1.9746      0.00000
    132       1.9893      0.00000
    133       1.9965      0.00000
    134       2.0780      0.00000
    135       2.2487      0.00000
    136       2.3472      0.00000
    137       2.6075      0.00000
    138       2.6091      0.00000
    139       2.6356      0.00000
    140       2.7055      0.00000
    141       2.9350      0.00000
    142       3.0504      0.00000
    143       3.0688      0.00000
    144       3.1036      0.00000
    145       3.1039      0.00000
    146       3.1105      0.00000
    147       3.1123      0.00000
    148       3.2749      0.00000
    149       3.4545      0.00000
    150       3.5052      0.00000
    151       3.8227      0.00000
    152       3.9498      0.00000
    153       3.9543      0.00000
    154       3.9566      0.00000
    155       3.9585      0.00000
    156       3.9957      0.00000
    157       4.1898      0.00000
    158       4.2628      0.00000
    159       4.2803      0.00000
    160       4.2843      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8317      1.00000
      3     -21.6394      1.00000
      4     -21.6116      1.00000
      5     -21.2758      1.00000
      6     -21.2364      1.00000
      7     -21.0580      1.00000
      8     -20.1687      1.00000
      9     -20.1305      1.00000
     10     -19.6096      1.00000
     11     -19.5985      1.00000
     12     -19.4181      1.00000
     13     -19.0905      1.00000
     14     -19.0609      1.00000
     15     -19.0498      1.00000
     16     -19.0423      1.00000
     17     -18.3614      1.00000
     18     -18.3530      1.00000
     19     -18.0198      1.00000
     20     -17.0698      1.00000
     21     -17.0310      1.00000
     22     -16.9444      1.00000
     23     -16.9406      1.00000
     24     -16.4684      1.00000
     25     -16.4638      1.00000
     26     -15.6149      1.00000
     27     -15.6080      1.00000
     28     -15.2532      1.00000
     29     -15.2441      1.00000
     30     -15.1853      1.00000
     31     -15.0985      1.00000
     32     -15.0716      1.00000
     33     -14.6991      1.00000
     34     -14.6971      1.00000
     35     -13.7270      1.00000
     36     -13.7244      1.00000
     37     -13.2361      1.00000
     38     -12.6145      1.00000
     39     -12.5843      1.00000
     40     -12.4548      1.00000
     41     -12.4512      1.00000
     42     -12.1096      1.00000
     43     -12.1050      1.00000
     44     -11.7178      1.00000
     45     -11.6869      1.00000
     46     -11.2354      1.00000
     47     -11.2261      1.00000
     48     -11.0181      1.00000
     49     -11.0101      1.00000
     50     -10.9271      1.00000
     51     -10.9057      1.00000
     52     -10.6316      1.00000
     53     -10.1553      1.00000
     54     -10.1512      1.00000
     55     -10.0920      1.00000
     56      -9.9990      1.00000
     57      -9.7033      1.00000
     58      -9.6952      1.00000
     59      -9.6565      1.00000
     60      -9.5921      1.00000
     61      -9.5770      1.00000
     62      -9.5590      1.00000
     63      -9.3073      1.00000
     64      -9.3035      1.00000
     65      -9.2746      1.00000
     66      -9.2369      1.00000
     67      -9.1372      1.00000
     68      -9.1153      1.00000
     69      -9.1116      1.00000
     70      -8.9401      1.00000
     71      -8.8724      1.00000
     72      -8.6045      1.00000
     73      -8.5910      1.00000
     74      -8.2367      1.00000
     75      -8.1005      1.00000
     76      -7.9135      1.00000
     77      -7.8640      1.00000
     78      -7.7718      1.00000
     79      -7.7569      1.00000
     80      -7.6923      1.00000
     81      -7.5606      1.00000
     82      -7.3389      1.00000
     83      -7.3228      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0124      1.00000
     88      -6.7047      1.00000
     89      -6.6783      1.00000
     90      -6.6413      1.00000
     91      -6.5978      1.00000
     92      -6.1158      1.00000
     93      -6.0624      1.00000
     94      -6.0312      1.00000
     95      -6.0115      1.00000
     96      -5.7834      1.00000
     97      -4.9745      1.00000
     98      -4.8321      1.00000
     99      -4.7470      1.00000
    100      -4.6794      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1719      1.00000
    104      -4.1279      1.00000
    105      -3.7295      1.00000
    106      -3.4877      1.00000
    107      -1.8703      0.00000
    108      -1.8089      0.00000
    109      -1.5243      0.00000
    110      -1.3775      0.00000
    111      -1.3214      0.00000
    112      -1.2879      0.00000
    113      -0.7198      0.00000
    114      -0.3759      0.00000
    115      -0.2499      0.00000
    116       0.0370      0.00000
    117       0.5553      0.00000
    118       0.6984      0.00000
    119       0.7464      0.00000
    120       1.0479      0.00000
    121       1.1000      0.00000
    122       1.1494      0.00000
    123       1.2273      0.00000
    124       1.3771      0.00000
    125       1.5229      0.00000
    126       1.5811      0.00000
    127       1.7151      0.00000
    128       1.8171      0.00000
    129       1.8584      0.00000
    130       1.8817      0.00000
    131       2.0970      0.00000
    132       2.1857      0.00000
    133       2.2413      0.00000
    134       2.3057      0.00000
    135       2.5119      0.00000
    136       2.5868      0.00000
    137       2.6441      0.00000
    138       2.7778      0.00000
    139       2.7948      0.00000
    140       2.8262      0.00000
    141       2.8655      0.00000
    142       2.8991      0.00000
    143       2.9479      0.00000
    144       3.0784      0.00000
    145       3.1517      0.00000
    146       3.3212      0.00000
    147       3.3892      0.00000
    148       3.4348      0.00000
    149       3.4644      0.00000
    150       3.6150      0.00000
    151       3.6468      0.00000
    152       3.6673      0.00000
    153       3.7110      0.00000
    154       3.9083      0.00000
    155       3.9631      0.00000
    156       4.0167      0.00000
    157       4.0716      0.00000
    158       4.2339      0.00000
    159       4.2481      0.00000
    160       4.2794      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2848      1.00000
      2     -22.0792      1.00000
      3     -21.7179      1.00000
      4     -21.6860      1.00000
      5     -20.9806      1.00000
      6     -20.9400      1.00000
      7     -20.6129      1.00000
      8     -20.5763      1.00000
      9     -20.5700      1.00000
     10     -20.0336      1.00000
     11     -19.5044      1.00000
     12     -19.4926      1.00000
     13     -19.3077      1.00000
     14     -19.3026      1.00000
     15     -18.4485      1.00000
     16     -18.4118      1.00000
     17     -17.9230      1.00000
     18     -17.9137      1.00000
     19     -17.7623      1.00000
     20     -17.7266      1.00000
     21     -17.4365      1.00000
     22     -17.4292      1.00000
     23     -17.3415      1.00000
     24     -16.4634      1.00000
     25     -16.4623      1.00000
     26     -15.9677      1.00000
     27     -15.4150      1.00000
     28     -15.4096      1.00000
     29     -15.0972      1.00000
     30     -15.0938      1.00000
     31     -14.8555      1.00000
     32     -14.8478      1.00000
     33     -14.2907      1.00000
     34     -14.2579      1.00000
     35     -13.4370      1.00000
     36     -13.4045      1.00000
     37     -13.1779      1.00000
     38     -13.1746      1.00000
     39     -12.9825      1.00000
     40     -12.9776      1.00000
     41     -12.6134      1.00000
     42     -12.6102      1.00000
     43     -12.1980      1.00000
     44     -11.5771      1.00000
     45     -11.5433      1.00000
     46     -11.3112      1.00000
     47     -11.2884      1.00000
     48     -11.1422      1.00000
     49     -10.6767      1.00000
     50     -10.6606      1.00000
     51     -10.5536      1.00000
     52     -10.3237      1.00000
     53     -10.3181      1.00000
     54     -10.1699      1.00000
     55     -10.1156      1.00000
     56     -10.1129      1.00000
     57      -9.7987      1.00000
     58      -9.7651      1.00000
     59      -9.7523      1.00000
     60      -9.7003      1.00000
     61      -9.6972      1.00000
     62      -9.6626      1.00000
     63      -9.3545      1.00000
     64      -9.3518      1.00000
     65      -9.3158      1.00000
     66      -9.0414      1.00000
     67      -8.9623      1.00000
     68      -8.9499      1.00000
     69      -8.7999      1.00000
     70      -8.5951      1.00000
     71      -8.5580      1.00000
     72      -8.3988      1.00000
     73      -8.3653      1.00000
     74      -8.3246      1.00000
     75      -8.3072      1.00000
     76      -8.2590      1.00000
     77      -8.2573      1.00000
     78      -8.2365      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3865      1.00000
     83      -7.3494      1.00000
     84      -7.2309      1.00000
     85      -7.0967      1.00000
     86      -7.0390      1.00000
     87      -6.9341      1.00000
     88      -6.8483      1.00000
     89      -6.6127      1.00000
     90      -6.5587      1.00000
     91      -6.2698      1.00000
     92      -6.0439      1.00000
     93      -5.9517      1.00000
     94      -5.6628      1.00000
     95      -5.6227      1.00000
     96      -5.4633      1.00000
     97      -5.3201      1.00000
     98      -5.2789      1.00000
     99      -5.2139      1.00000
    100      -5.1939      1.00000
    101      -4.5084      1.00000
    102      -4.2076      1.00000
    103      -4.0592      1.00000
    104      -3.9891      1.00000
    105      -3.6943      1.00000
    106      -3.4979      1.00000
    107      -1.9462      0.00000
    108      -1.8963      0.00000
    109      -1.3390      0.00000
    110      -1.0848      0.00000
    111      -1.0581      0.00000
    112      -0.8002      0.00000
    113      -0.6775      0.00000
    114      -0.6467      0.00000
    115      -0.6071      0.00000
    116      -0.1080      0.00000
    117       0.2156      0.00000
    118       0.3292      0.00000
    119       0.6936      0.00000
    120       0.8871      0.00000
    121       1.1272      0.00000
    122       1.1991      0.00000
    123       1.3258      0.00000
    124       1.4199      0.00000
    125       1.5540      0.00000
    126       1.5762      0.00000
    127       1.6781      0.00000
    128       1.8083      0.00000
    129       1.8818      0.00000
    130       2.0546      0.00000
    131       2.1286      0.00000
    132       2.3299      0.00000
    133       2.3615      0.00000
    134       2.3945      0.00000
    135       2.5441      0.00000
    136       2.6300      0.00000
    137       2.7285      0.00000
    138       2.7638      0.00000
    139       2.8301      0.00000
    140       2.8788      0.00000
    141       3.0450      0.00000
    142       3.0546      0.00000
    143       3.1614      0.00000
    144       3.2636      0.00000
    145       3.3612      0.00000
    146       3.4157      0.00000
    147       3.4333      0.00000
    148       3.5642      0.00000
    149       3.5808      0.00000
    150       3.5976      0.00000
    151       3.6599      0.00000
    152       3.6760      0.00000
    153       3.7807      0.00000
    154       3.8005      0.00000
    155       3.8127      0.00000
    156       3.8973      0.00000
    157       3.9201      0.00000
    158       3.9991      0.00000
    159       4.2126      0.00000
    160       4.2288      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3188      1.00000
      2     -21.9641      1.00000
      3     -21.8949      1.00000
      4     -21.3821      1.00000
      5     -21.3529      1.00000
      6     -20.8408      1.00000
      7     -20.7755      1.00000
      8     -20.6252      1.00000
      9     -20.0787      1.00000
     10     -20.0730      1.00000
     11     -19.7178      1.00000
     12     -19.6933      1.00000
     13     -18.9974      1.00000
     14     -18.9915      1.00000
     15     -18.6416      1.00000
     16     -18.6256      1.00000
     17     -18.4629      1.00000
     18     -17.6760      1.00000
     19     -17.6256      1.00000
     20     -17.6228      1.00000
     21     -17.5809      1.00000
     22     -17.1273      1.00000
     23     -17.1058      1.00000
     24     -16.9626      1.00000
     25     -16.0023      1.00000
     26     -15.9304      1.00000
     27     -15.5864      1.00000
     28     -15.5861      1.00000
     29     -15.2875      1.00000
     30     -14.8647      1.00000
     31     -14.8375      1.00000
     32     -14.5794      1.00000
     33     -14.5375      1.00000
     34     -14.1693      1.00000
     35     -14.1557      1.00000
     36     -13.1484      1.00000
     37     -13.1012      1.00000
     38     -13.0301      1.00000
     39     -13.0199      1.00000
     40     -12.7094      1.00000
     41     -12.7053      1.00000
     42     -12.3422      1.00000
     43     -12.3110      1.00000
     44     -11.6364      1.00000
     45     -11.6228      1.00000
     46     -11.5727      1.00000
     47     -10.9500      1.00000
     48     -10.9169      1.00000
     49     -10.6329      1.00000
     50     -10.6247      1.00000
     51     -10.5478      1.00000
     52     -10.5001      1.00000
     53     -10.4998      1.00000
     54     -10.4398      1.00000
     55     -10.3606      1.00000
     56     -10.1000      1.00000
     57      -9.9042      1.00000
     58      -9.6087      1.00000
     59      -9.5564      1.00000
     60      -9.4529      1.00000
     61      -9.4125      1.00000
     62      -9.4056      1.00000
     63      -9.3775      1.00000
     64      -9.3771      1.00000
     65      -9.2879      1.00000
     66      -9.1690      1.00000
     67      -9.1435      1.00000
     68      -9.1151      1.00000
     69      -8.8651      1.00000
     70      -8.8575      1.00000
     71      -8.8157      1.00000
     72      -8.5974      1.00000
     73      -8.4805      1.00000
     74      -8.1991      1.00000
     75      -8.1636      1.00000
     76      -8.0092      1.00000
     77      -7.9639      1.00000
     78      -7.8506      1.00000
     79      -7.8405      1.00000
     80      -7.7043      1.00000
     81      -7.6970      1.00000
     82      -7.6224      1.00000
     83      -7.4490      1.00000
     84      -7.3009      1.00000
     85      -7.2532      1.00000
     86      -6.9065      1.00000
     87      -6.8927      1.00000
     88      -6.5889      1.00000
     89      -6.5514      1.00000
     90      -6.4062      1.00000
     91      -6.2536      1.00000
     92      -6.2329      1.00000
     93      -6.2055      1.00000
     94      -6.0232      1.00000
     95      -5.5501      1.00000
     96      -5.4890      1.00000
     97      -5.3504      1.00000
     98      -5.2198      1.00000
     99      -4.9795      1.00000
    100      -4.7326      1.00000
    101      -4.6780      1.00000
    102      -4.3874      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5464      1.00000
    106      -3.5099      1.00000
    107      -2.2562      0.00000
    108      -1.4565      0.00000
    109      -1.3712      0.00000
    110      -1.2417      0.00000
    111      -1.0978      0.00000
    112      -0.9450      0.00000
    113      -0.8636      0.00000
    114      -0.8032      0.00000
    115      -0.1393      0.00000
    116       0.1112      0.00000
    117       0.2408      0.00000
    118       0.3777      0.00000
    119       0.6511      0.00000
    120       0.8359      0.00000
    121       0.9366      0.00000
    122       1.0633      0.00000
    123       1.2327      0.00000
    124       1.4475      0.00000
    125       1.5488      0.00000
    126       1.7664      0.00000
    127       1.7932      0.00000
    128       1.8749      0.00000
    129       1.9676      0.00000
    130       2.0459      0.00000
    131       2.1745      0.00000
    132       2.1961      0.00000
    133       2.4093      0.00000
    134       2.4657      0.00000
    135       2.5342      0.00000
    136       2.6043      0.00000
    137       2.6391      0.00000
    138       2.6950      0.00000
    139       2.7733      0.00000
    140       2.8328      0.00000
    141       2.9476      0.00000
    142       3.0798      0.00000
    143       3.2001      0.00000
    144       3.2145      0.00000
    145       3.2618      0.00000
    146       3.3225      0.00000
    147       3.3273      0.00000
    148       3.4673      0.00000
    149       3.4979      0.00000
    150       3.6993      0.00000
    151       3.7111      0.00000
    152       3.7307      0.00000
    153       3.8571      0.00000
    154       3.9162      0.00000
    155       3.9422      0.00000
    156       3.9800      0.00000
    157       4.0169      0.00000
    158       4.0339      0.00000
    159       4.0478      0.00000
    160       4.0665      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2118      1.00000
      2     -22.1188      1.00000
      3     -21.9581      1.00000
      4     -21.4057      1.00000
      5     -21.0510      1.00000
      6     -21.0151      1.00000
      7     -20.5018      1.00000
      8     -20.4624      1.00000
      9     -20.2960      1.00000
     10     -20.2767      1.00000
     11     -19.9586      1.00000
     12     -19.8929      1.00000
     13     -18.8835      1.00000
     14     -18.8148      1.00000
     15     -18.3538      1.00000
     16     -18.3075      1.00000
     17     -18.1539      1.00000
     18     -18.1367      1.00000
     19     -17.8276      1.00000
     20     -17.7900      1.00000
     21     -17.2525      1.00000
     22     -17.2424      1.00000
     23     -17.1654      1.00000
     24     -17.1337      1.00000
     25     -16.1109      1.00000
     26     -15.8864      1.00000
     27     -15.8711      1.00000
     28     -15.8349      1.00000
     29     -15.2371      1.00000
     30     -14.5559      1.00000
     31     -14.5280      1.00000
     32     -14.2808      1.00000
     33     -13.9644      1.00000
     34     -13.9569      1.00000
     35     -13.8208      1.00000
     36     -13.8050      1.00000
     37     -13.6153      1.00000
     38     -13.5715      1.00000
     39     -13.3709      1.00000
     40     -12.6353      1.00000
     41     -12.1815      1.00000
     42     -12.1335      1.00000
     43     -12.0729      1.00000
     44     -12.0206      1.00000
     45     -11.6701      1.00000
     46     -11.6565      1.00000
     47     -11.1394      1.00000
     48     -11.1188      1.00000
     49     -10.7954      1.00000
     50     -10.7318      1.00000
     51     -10.5294      1.00000
     52     -10.2090      1.00000
     53     -10.2063      1.00000
     54     -10.1653      1.00000
     55     -10.0183      1.00000
     56     -10.0048      1.00000
     57      -9.9912      1.00000
     58      -9.8018      1.00000
     59      -9.7979      1.00000
     60      -9.7627      1.00000
     61      -9.7579      1.00000
     62      -9.4551      1.00000
     63      -9.4179      1.00000
     64      -9.0810      1.00000
     65      -9.0728      1.00000
     66      -9.0412      1.00000
     67      -8.9557      1.00000
     68      -8.8778      1.00000
     69      -8.7125      1.00000
     70      -8.7002      1.00000
     71      -8.5663      1.00000
     72      -8.5435      1.00000
     73      -8.4997      1.00000
     74      -8.4629      1.00000
     75      -8.4538      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0438      1.00000
     79      -7.9159      1.00000
     80      -7.8635      1.00000
     81      -7.6151      1.00000
     82      -7.5488      1.00000
     83      -7.4901      1.00000
     84      -7.2680      1.00000
     85      -6.9954      1.00000
     86      -6.9232      1.00000
     87      -6.8822      1.00000
     88      -6.5327      1.00000
     89      -6.4873      1.00000
     90      -6.4614      1.00000
     91      -6.4104      1.00000
     92      -5.9840      1.00000
     93      -5.8976      1.00000
     94      -5.7847      1.00000
     95      -5.7597      1.00000
     96      -5.4322      1.00000
     97      -5.3294      1.00000
     98      -5.2303      1.00000
     99      -5.2178      1.00000
    100      -5.1885      1.00000
    101      -4.6922      1.00000
    102      -4.4214      1.00000
    103      -4.2095      1.00000
    104      -3.8340      1.00000
    105      -3.5291      1.00000
    106      -3.2742      1.00000
    107      -2.5311      0.00000
    108      -1.4580      0.00000
    109      -1.2666      0.00000
    110      -1.2029      0.00000
    111      -1.1724      0.00000
    112      -0.7196      0.00000
    113      -0.5034      0.00000
    114      -0.4118      0.00000
    115      -0.3394      0.00000
    116      -0.1459      0.00000
    117      -0.0027      0.00000
    118       0.1939      0.00000
    119       0.5613      0.00000
    120       0.6126      0.00000
    121       0.7958      0.00000
    122       0.9063      0.00000
    123       1.1318      0.00000
    124       1.4923      0.00000
    125       1.6342      0.00000
    126       1.8508      0.00000
    127       1.9260      0.00000
    128       2.1043      0.00000
    129       2.1144      0.00000
    130       2.1582      0.00000
    131       2.1907      0.00000
    132       2.2799      0.00000
    133       2.3429      0.00000
    134       2.4723      0.00000
    135       2.5826      0.00000
    136       2.6567      0.00000
    137       2.8535      0.00000
    138       2.8713      0.00000
    139       2.8930      0.00000
    140       3.0104      0.00000
    141       3.0201      0.00000
    142       3.1393      0.00000
    143       3.1861      0.00000
    144       3.2304      0.00000
    145       3.2724      0.00000
    146       3.2837      0.00000
    147       3.3000      0.00000
    148       3.3460      0.00000
    149       3.4236      0.00000
    150       3.4494      0.00000
    151       3.5549      0.00000
    152       3.6246      0.00000
    153       3.7133      0.00000
    154       3.7361      0.00000
    155       3.7719      0.00000
    156       3.8944      0.00000
    157       3.9391      0.00000
    158       4.0038      0.00000
    159       4.1293      0.00000
    160       4.2221      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3186      1.00000
      2     -21.9656      1.00000
      3     -21.8934      1.00000
      4     -21.3858      1.00000
      5     -21.3494      1.00000
      6     -20.8406      1.00000
      7     -20.7742      1.00000
      8     -20.6261      1.00000
      9     -20.0906      1.00000
     10     -20.0619      1.00000
     11     -19.7195      1.00000
     12     -19.6907      1.00000
     13     -19.0108      1.00000
     14     -18.9796      1.00000
     15     -18.6507      1.00000
     16     -18.6179      1.00000
     17     -18.4616      1.00000
     18     -17.6612      1.00000
     19     -17.6476      1.00000
     20     -17.6113      1.00000
     21     -17.5788      1.00000
     22     -17.1379      1.00000
     23     -17.0980      1.00000
     24     -16.9663      1.00000
     25     -16.0087      1.00000
     26     -15.9238      1.00000
     27     -15.5997      1.00000
     28     -15.5762      1.00000
     29     -15.2803      1.00000
     30     -14.8774      1.00000
     31     -14.8304      1.00000
     32     -14.5753      1.00000
     33     -14.5374      1.00000
     34     -14.1643      1.00000
     35     -14.1603      1.00000
     36     -13.1626      1.00000
     37     -13.0968      1.00000
     38     -13.0237      1.00000
     39     -13.0189      1.00000
     40     -12.7184      1.00000
     41     -12.6952      1.00000
     42     -12.3414      1.00000
     43     -12.3142      1.00000
     44     -11.6318      1.00000
     45     -11.6226      1.00000
     46     -11.5706      1.00000
     47     -10.9411      1.00000
     48     -10.9233      1.00000
     49     -10.6694      1.00000
     50     -10.5901      1.00000
     51     -10.5735      1.00000
     52     -10.5010      1.00000
     53     -10.4896      1.00000
     54     -10.4393      1.00000
     55     -10.3568      1.00000
     56     -10.1044      1.00000
     57      -9.8984      1.00000
     58      -9.6092      1.00000
     59      -9.5519      1.00000
     60      -9.4548      1.00000
     61      -9.4181      1.00000
     62      -9.4099      1.00000
     63      -9.3799      1.00000
     64      -9.3727      1.00000
     65      -9.2680      1.00000
     66      -9.1652      1.00000
     67      -9.1412      1.00000
     68      -9.1158      1.00000
     69      -8.8662      1.00000
     70      -8.8602      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1932      1.00000
     75      -8.1706      1.00000
     76      -8.0761      1.00000
     77      -7.8580      1.00000
     78      -7.8371      1.00000
     79      -7.8242      1.00000
     80      -7.7105      1.00000
     81      -7.6961      1.00000
     82      -7.5977      1.00000
     83      -7.5301      1.00000
     84      -7.3506      1.00000
     85      -7.1679      1.00000
     86      -6.9051      1.00000
     87      -6.8958      1.00000
     88      -6.5927      1.00000
     89      -6.5515      1.00000
     90      -6.4061      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2009      1.00000
     94      -6.0041      1.00000
     95      -5.5319      1.00000
     96      -5.4654      1.00000
     97      -5.3142      1.00000
     98      -5.2096      1.00000
     99      -5.0470      1.00000
    100      -4.7236      1.00000
    101      -4.6716      1.00000
    102      -4.4239      1.00000
    103      -4.1947      1.00000
    104      -3.8428      1.00000
    105      -3.6345      1.00000
    106      -3.4162      1.00000
    107      -2.2925      0.00000
    108      -1.5093      0.00000
    109      -1.2699      0.00000
    110      -1.2623      0.00000
    111      -1.0343      0.00000
    112      -0.9778      0.00000
    113      -0.8680      0.00000
    114      -0.7998      0.00000
    115      -0.2616      0.00000
    116       0.2044      0.00000
    117       0.2396      0.00000
    118       0.3600      0.00000
    119       0.6903      0.00000
    120       0.8942      0.00000
    121       0.9239      0.00000
    122       1.0401      0.00000
    123       1.1664      0.00000
    124       1.5091      0.00000
    125       1.5580      0.00000
    126       1.7099      0.00000
    127       1.7788      0.00000
    128       1.8340      0.00000
    129       1.9651      0.00000
    130       1.9838      0.00000
    131       2.1869      0.00000
    132       2.2598      0.00000
    133       2.4138      0.00000
    134       2.4728      0.00000
    135       2.5328      0.00000
    136       2.6005      0.00000
    137       2.6188      0.00000
    138       2.6982      0.00000
    139       2.7535      0.00000
    140       2.8618      0.00000
    141       3.0349      0.00000
    142       3.0780      0.00000
    143       3.1900      0.00000
    144       3.2479      0.00000
    145       3.2640      0.00000
    146       3.2987      0.00000
    147       3.3496      0.00000
    148       3.4520      0.00000
    149       3.5192      0.00000
    150       3.6916      0.00000
    151       3.7171      0.00000
    152       3.7535      0.00000
    153       3.8316      0.00000
    154       3.8916      0.00000
    155       3.9298      0.00000
    156       3.9775      0.00000
    157       4.0080      0.00000
    158       4.0449      0.00000
    159       4.0478      0.00000
    160       4.0868      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3908      1.00000
      2     -21.8320      1.00000
      3     -21.6426      1.00000
      4     -21.6076      1.00000
      5     -21.2800      1.00000
      6     -21.2329      1.00000
      7     -21.0576      1.00000
      8     -20.1725      1.00000
      9     -20.1264      1.00000
     10     -19.6178      1.00000
     11     -19.5916      1.00000
     12     -19.4166      1.00000
     13     -19.0955      1.00000
     14     -19.0569      1.00000
     15     -19.0524      1.00000
     16     -19.0397      1.00000
     17     -18.3676      1.00000
     18     -18.3478      1.00000
     19     -18.0175      1.00000
     20     -17.0730      1.00000
     21     -17.0242      1.00000
     22     -16.9503      1.00000
     23     -16.9364      1.00000
     24     -16.4752      1.00000
     25     -16.4633      1.00000
     26     -15.6100      1.00000
     27     -15.6095      1.00000
     28     -15.2504      1.00000
     29     -15.2383      1.00000
     30     -15.1923      1.00000
     31     -15.1021      1.00000
     32     -15.0692      1.00000
     33     -14.6988      1.00000
     34     -14.6978      1.00000
     35     -13.7253      1.00000
     36     -13.7253      1.00000
     37     -13.2359      1.00000
     38     -12.6246      1.00000
     39     -12.5805      1.00000
     40     -12.4554      1.00000
     41     -12.4501      1.00000
     42     -12.1052      1.00000
     43     -12.1003      1.00000
     44     -11.7218      1.00000
     45     -11.6832      1.00000
     46     -11.2455      1.00000
     47     -11.2249      1.00000
     48     -11.0181      1.00000
     49     -11.0065      1.00000
     50     -10.9280      1.00000
     51     -10.8993      1.00000
     52     -10.6376      1.00000
     53     -10.1728      1.00000
     54     -10.1499      1.00000
     55     -10.0851      1.00000
     56      -9.9926      1.00000
     57      -9.6966      1.00000
     58      -9.6900      1.00000
     59      -9.6709      1.00000
     60      -9.5914      1.00000
     61      -9.5674      1.00000
     62      -9.5542      1.00000
     63      -9.3132      1.00000
     64      -9.3005      1.00000
     65      -9.2837      1.00000
     66      -9.2430      1.00000
     67      -9.1227      1.00000
     68      -9.1129      1.00000
     69      -9.1112      1.00000
     70      -8.9400      1.00000
     71      -8.8752      1.00000
     72      -8.6048      1.00000
     73      -8.5861      1.00000
     74      -8.2712      1.00000
     75      -8.1016      1.00000
     76      -7.8675      1.00000
     77      -7.8439      1.00000
     78      -7.7907      1.00000
     79      -7.7649      1.00000
     80      -7.7559      1.00000
     81      -7.4473      1.00000
     82      -7.3349      1.00000
     83      -7.3234      1.00000
     84      -7.2664      1.00000
     85      -7.1628      1.00000
     86      -7.0148      1.00000
     87      -6.9867      1.00000
     88      -6.7179      1.00000
     89      -6.6908      1.00000
     90      -6.6319      1.00000
     91      -6.5907      1.00000
     92      -6.1178      1.00000
     93      -6.0589      1.00000
     94      -6.0448      1.00000
     95      -6.0285      1.00000
     96      -5.7480      1.00000
     97      -4.9747      1.00000
     98      -4.8396      1.00000
     99      -4.7090      1.00000
    100      -4.6735      1.00000
    101      -4.4836      1.00000
    102      -4.3522      1.00000
    103      -4.1119      1.00000
    104      -4.0555      1.00000
    105      -3.7549      1.00000
    106      -3.4654      1.00000
    107      -1.9505      0.00000
    108      -1.7711      0.00000
    109      -1.4797      0.00000
    110      -1.3555      0.00000
    111      -1.3358      0.00000
    112      -1.2925      0.00000
    113      -0.6785      0.00000
    114      -0.4719      0.00000
    115      -0.2354      0.00000
    116       0.0517      0.00000
    117       0.5868      0.00000
    118       0.6925      0.00000
    119       0.7701      0.00000
    120       1.0227      0.00000
    121       1.0970      0.00000
    122       1.1765      0.00000
    123       1.2499      0.00000
    124       1.3342      0.00000
    125       1.4325      0.00000
    126       1.5972      0.00000
    127       1.7657      0.00000
    128       1.8424      0.00000
    129       1.8607      0.00000
    130       1.8872      0.00000
    131       2.0476      0.00000
    132       2.2170      0.00000
    133       2.2310      0.00000
    134       2.2845      0.00000
    135       2.4793      0.00000
    136       2.6154      0.00000
    137       2.6459      0.00000
    138       2.7504      0.00000
    139       2.7922      0.00000
    140       2.8363      0.00000
    141       2.8473      0.00000
    142       2.8775      0.00000
    143       2.9521      0.00000
    144       3.0825      0.00000
    145       3.3183      0.00000
    146       3.3569      0.00000
    147       3.4091      0.00000
    148       3.4213      0.00000
    149       3.4221      0.00000
    150       3.5979      0.00000
    151       3.6532      0.00000
    152       3.6718      0.00000
    153       3.7279      0.00000
    154       3.8933      0.00000
    155       3.9253      0.00000
    156       3.9580      0.00000
    157       4.1123      0.00000
    158       4.2073      0.00000
    159       4.2502      0.00000
    160       4.2825      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2109      1.00000
      2     -22.1202      1.00000
      3     -21.9578      1.00000
      4     -21.4057      1.00000
      5     -21.0472      1.00000
      6     -21.0189      1.00000
      7     -20.4970      1.00000
      8     -20.4671      1.00000
      9     -20.2872      1.00000
     10     -20.2853      1.00000
     11     -19.9575      1.00000
     12     -19.8945      1.00000
     13     -18.8841      1.00000
     14     -18.8165      1.00000
     15     -18.3385      1.00000
     16     -18.3195      1.00000
     17     -18.1498      1.00000
     18     -18.1423      1.00000
     19     -17.8165      1.00000
     20     -17.7985      1.00000
     21     -17.2586      1.00000
     22     -17.2391      1.00000
     23     -17.1608      1.00000
     24     -17.1360      1.00000
     25     -16.1174      1.00000
     26     -15.8811      1.00000
     27     -15.8701      1.00000
     28     -15.8409      1.00000
     29     -15.2313      1.00000
     30     -14.5513      1.00000
     31     -14.5329      1.00000
     32     -14.2760      1.00000
     33     -13.9755      1.00000
     34     -13.9519      1.00000
     35     -13.8252      1.00000
     36     -13.8029      1.00000
     37     -13.6044      1.00000
     38     -13.5791      1.00000
     39     -13.3711      1.00000
     40     -12.6396      1.00000
     41     -12.1690      1.00000
     42     -12.1427      1.00000
     43     -12.0684      1.00000
     44     -12.0216      1.00000
     45     -11.6654      1.00000
     46     -11.6607      1.00000
     47     -11.1368      1.00000
     48     -11.1258      1.00000
     49     -10.7905      1.00000
     50     -10.7343      1.00000
     51     -10.5361      1.00000
     52     -10.2089      1.00000
     53     -10.2027      1.00000
     54     -10.1710      1.00000
     55     -10.0232      1.00000
     56      -9.9948      1.00000
     57      -9.9906      1.00000
     58      -9.8055      1.00000
     59      -9.7964      1.00000
     60      -9.7648      1.00000
     61      -9.7569      1.00000
     62      -9.4544      1.00000
     63      -9.4178      1.00000
     64      -9.0851      1.00000
     65      -9.0463      1.00000
     66      -9.0259      1.00000
     67      -8.9697      1.00000
     68      -8.8981      1.00000
     69      -8.7085      1.00000
     70      -8.6993      1.00000
     71      -8.5599      1.00000
     72      -8.5492      1.00000
     73      -8.4781      1.00000
     74      -8.4598      1.00000
     75      -8.4570      1.00000
     76      -8.3087      1.00000
     77      -8.0954      1.00000
     78      -8.0896      1.00000
     79      -7.9268      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5368      1.00000
     83      -7.4437      1.00000
     84      -7.3142      1.00000
     85      -6.9941      1.00000
     86      -6.9194      1.00000
     87      -6.8824      1.00000
     88      -6.5276      1.00000
     89      -6.5149      1.00000
     90      -6.4808      1.00000
     91      -6.4207      1.00000
     92      -5.9272      1.00000
     93      -5.9054      1.00000
     94      -5.7889      1.00000
     95      -5.7750      1.00000
     96      -5.3694      1.00000
     97      -5.3632      1.00000
     98      -5.2204      1.00000
     99      -5.2155      1.00000
    100      -5.1988      1.00000
    101      -4.7204      1.00000
    102      -4.4423      1.00000
    103      -4.1908      1.00000
    104      -3.8204      1.00000
    105      -3.5654      1.00000
    106      -3.2214      1.00000
    107      -2.5625      0.00000
    108      -1.4631      0.00000
    109      -1.2672      0.00000
    110      -1.1851      0.00000
    111      -1.1836      0.00000
    112      -0.6447      0.00000
    113      -0.5513      0.00000
    114      -0.4147      0.00000
    115      -0.3473      0.00000
    116      -0.0776      0.00000
    117      -0.0633      0.00000
    118       0.1260      0.00000
    119       0.5932      0.00000
    120       0.6265      0.00000
    121       0.8546      0.00000
    122       0.9849      0.00000
    123       1.0030      0.00000
    124       1.4936      0.00000
    125       1.6832      0.00000
    126       1.7627      0.00000
    127       1.8591      0.00000
    128       2.1113      0.00000
    129       2.1518      0.00000
    130       2.1923      0.00000
    131       2.2103      0.00000
    132       2.2581      0.00000
    133       2.3574      0.00000
    134       2.4935      0.00000
    135       2.5166      0.00000
    136       2.6633      0.00000
    137       2.8526      0.00000
    138       2.8592      0.00000
    139       2.9528      0.00000
    140       2.9972      0.00000
    141       3.0350      0.00000
    142       3.1346      0.00000
    143       3.1994      0.00000
    144       3.2444      0.00000
    145       3.2467      0.00000
    146       3.2795      0.00000
    147       3.3029      0.00000
    148       3.3543      0.00000
    149       3.4245      0.00000
    150       3.5503      0.00000
    151       3.5662      0.00000
    152       3.6462      0.00000
    153       3.6650      0.00000
    154       3.7090      0.00000
    155       3.7333      0.00000
    156       3.8964      0.00000
    157       3.9593      0.00000
    158       4.0353      0.00000
    159       4.0742      0.00000
    160       4.1831      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2844      1.00000
      2     -22.0798      1.00000
      3     -21.7214      1.00000
      4     -21.6822      1.00000
      5     -20.9839      1.00000
      6     -20.9361      1.00000
      7     -20.6124      1.00000
      8     -20.5802      1.00000
      9     -20.5667      1.00000
     10     -20.0333      1.00000
     11     -19.5143      1.00000
     12     -19.4842      1.00000
     13     -19.3122      1.00000
     14     -19.2992      1.00000
     15     -18.4505      1.00000
     16     -18.4073      1.00000
     17     -17.9283      1.00000
     18     -17.9078      1.00000
     19     -17.7667      1.00000
     20     -17.7218      1.00000
     21     -17.4423      1.00000
     22     -17.4238      1.00000
     23     -17.3388      1.00000
     24     -16.4714      1.00000
     25     -16.4611      1.00000
     26     -15.9713      1.00000
     27     -15.4115      1.00000
     28     -15.4105      1.00000
     29     -15.0964      1.00000
     30     -15.0933      1.00000
     31     -14.8535      1.00000
     32     -14.8412      1.00000
     33     -14.2984      1.00000
     34     -14.2547      1.00000
     35     -13.4447      1.00000
     36     -13.4009      1.00000
     37     -13.1754      1.00000
     38     -13.1740      1.00000
     39     -12.9864      1.00000
     40     -12.9775      1.00000
     41     -12.6109      1.00000
     42     -12.6088      1.00000
     43     -12.1973      1.00000
     44     -11.5797      1.00000
     45     -11.5386      1.00000
     46     -11.3136      1.00000
     47     -11.2833      1.00000
     48     -11.1425      1.00000
     49     -10.6926      1.00000
     50     -10.6632      1.00000
     51     -10.5475      1.00000
     52     -10.3227      1.00000
     53     -10.3150      1.00000
     54     -10.1762      1.00000
     55     -10.1214      1.00000
     56     -10.1081      1.00000
     57      -9.8119      1.00000
     58      -9.7529      1.00000
     59      -9.7524      1.00000
     60      -9.7026      1.00000
     61      -9.6987      1.00000
     62      -9.6473      1.00000
     63      -9.3530      1.00000
     64      -9.3515      1.00000
     65      -9.3179      1.00000
     66      -9.0282      1.00000
     67      -8.9618      1.00000
     68      -8.9580      1.00000
     69      -8.7758      1.00000
     70      -8.5916      1.00000
     71      -8.5886      1.00000
     72      -8.4240      1.00000
     73      -8.3499      1.00000
     74      -8.3225      1.00000
     75      -8.3023      1.00000
     76      -8.2658      1.00000
     77      -8.2541      1.00000
     78      -8.2393      1.00000
     79      -7.9216      1.00000
     80      -7.7341      1.00000
     81      -7.3798      1.00000
     82      -7.3503      1.00000
     83      -7.3236      1.00000
     84      -7.2175      1.00000
     85      -7.1604      1.00000
     86      -7.0654      1.00000
     87      -6.9609      1.00000
     88      -6.9054      1.00000
     89      -6.6133      1.00000
     90      -6.5568      1.00000
     91      -6.2709      1.00000
     92      -5.9967      1.00000
     93      -5.9595      1.00000
     94      -5.6753      1.00000
     95      -5.6487      1.00000
     96      -5.3875      1.00000
     97      -5.3151      1.00000
     98      -5.2940      1.00000
     99      -5.2121      1.00000
    100      -5.2004      1.00000
    101      -4.5115      1.00000
    102      -4.3387      1.00000
    103      -3.9965      1.00000
    104      -3.8859      1.00000
    105      -3.7928      1.00000
    106      -3.4433      1.00000
    107      -2.0345      0.00000
    108      -1.8633      0.00000
    109      -1.2176      0.00000
    110      -1.1841      0.00000
    111      -1.0358      0.00000
    112      -0.7721      0.00000
    113      -0.6772      0.00000
    114      -0.6598      0.00000
    115      -0.6096      0.00000
    116      -0.1017      0.00000
    117       0.2226      0.00000
    118       0.2397      0.00000
    119       0.7689      0.00000
    120       0.9833      0.00000
    121       1.0739      0.00000
    122       1.2413      0.00000
    123       1.2511      0.00000
    124       1.3405      0.00000
    125       1.5777      0.00000
    126       1.5852      0.00000
    127       1.7000      0.00000
    128       1.7979      0.00000
    129       1.9450      0.00000
    130       1.9591      0.00000
    131       2.0903      0.00000
    132       2.2993      0.00000
    133       2.3427      0.00000
    134       2.4151      0.00000
    135       2.5420      0.00000
    136       2.6278      0.00000
    137       2.7728      0.00000
    138       2.8330      0.00000
    139       2.8422      0.00000
    140       2.8639      0.00000
    141       3.0419      0.00000
    142       3.0989      0.00000
    143       3.1505      0.00000
    144       3.2201      0.00000
    145       3.3765      0.00000
    146       3.4156      0.00000
    147       3.5012      0.00000
    148       3.5445      0.00000
    149       3.5911      0.00000
    150       3.6076      0.00000
    151       3.6473      0.00000
    152       3.7343      0.00000
    153       3.7445      0.00000
    154       3.7780      0.00000
    155       3.8224      0.00000
    156       3.8803      0.00000
    157       4.0265      0.00000
    158       4.0850      0.00000
    159       4.1666      0.00000
    160       4.2103      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4276      1.00000
      2     -21.6043      1.00000
      3     -21.4826      1.00000
      4     -21.4735      1.00000
      5     -21.4419      1.00000
      6     -21.4412      1.00000
      7     -21.4310      1.00000
      8     -19.7085      1.00000
      9     -19.6535      1.00000
     10     -19.6302      1.00000
     11     -19.6192      1.00000
     12     -19.6139      1.00000
     13     -19.6129      1.00000
     14     -18.7906      1.00000
     15     -18.7554      1.00000
     16     -18.7356      1.00000
     17     -18.7261      1.00000
     18     -18.7190      1.00000
     19     -18.7137      1.00000
     20     -16.6354      1.00000
     21     -16.6095      1.00000
     22     -16.5851      1.00000
     23     -16.5817      1.00000
     24     -16.5547      1.00000
     25     -16.5530      1.00000
     26     -15.6153      1.00000
     27     -15.6026      1.00000
     28     -15.5994      1.00000
     29     -15.5653      1.00000
     30     -15.5635      1.00000
     31     -15.5626      1.00000
     32     -14.2603      1.00000
     33     -14.2510      1.00000
     34     -14.2410      1.00000
     35     -14.2360      1.00000
     36     -14.2228      1.00000
     37     -14.2199      1.00000
     38     -11.9060      1.00000
     39     -11.8790      1.00000
     40     -11.8679      1.00000
     41     -11.8658      1.00000
     42     -11.8450      1.00000
     43     -11.8448      1.00000
     44     -11.7715      1.00000
     45     -11.7688      1.00000
     46     -11.7361      1.00000
     47     -11.7294      1.00000
     48     -11.7252      1.00000
     49     -11.7228      1.00000
     50     -10.6766      1.00000
     51     -10.3890      1.00000
     52     -10.3840      1.00000
     53     -10.3770      1.00000
     54     -10.3692      1.00000
     55     -10.3559      1.00000
     56     -10.3538      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4060      1.00000
     60      -9.3629      1.00000
     61      -9.3623      1.00000
     62      -9.3545      1.00000
     63      -9.1425      1.00000
     64      -9.1219      1.00000
     65      -9.1212      1.00000
     66      -9.0848      1.00000
     67      -9.0719      1.00000
     68      -9.0713      1.00000
     69      -9.0711      1.00000
     70      -9.0642      1.00000
     71      -9.0641      1.00000
     72      -9.0385      1.00000
     73      -9.0289      1.00000
     74      -9.0257      1.00000
     75      -8.1301      1.00000
     76      -7.7457      1.00000
     77      -7.4687      1.00000
     78      -7.4666      1.00000
     79      -7.4538      1.00000
     80      -7.4342      1.00000
     81      -7.4246      1.00000
     82      -7.4066      1.00000
     83      -7.3130      1.00000
     84      -7.2712      1.00000
     85      -7.2575      1.00000
     86      -7.2491      1.00000
     87      -7.1507      1.00000
     88      -7.0494      1.00000
     89      -6.4463      1.00000
     90      -6.4161      1.00000
     91      -6.4005      1.00000
     92      -6.3637      1.00000
     93      -6.3530      1.00000
     94      -6.3407      1.00000
     95      -5.9584      1.00000
     96      -5.9581      1.00000
     97      -4.8064      1.00000
     98      -4.5444      1.00000
     99      -4.4814      1.00000
    100      -4.4743      1.00000
    101      -4.3822      1.00000
    102      -4.3817      1.00000
    103      -4.2677      1.00000
    104      -4.1872      1.00000
    105      -3.7392      1.00000
    106      -3.4775      1.00000
    107      -1.8619      0.00000
    108      -1.6706      0.00000
    109      -1.6241      0.00000
    110      -1.5913      0.00000
    111      -1.5758      0.00000
    112      -1.5748      0.00000
    113      -0.4288      0.00000
    114       0.1458      0.00000
    115       0.1921      0.00000
    116       0.2557      0.00000
    117       0.2675      0.00000
    118       0.2715      0.00000
    119       0.4771      0.00000
    120       0.5472      0.00000
    121       1.2470      0.00000
    122       1.2900      0.00000
    123       1.5347      0.00000
    124       1.7707      0.00000
    125       1.7735      0.00000
    126       1.7739      0.00000
    127       1.8044      0.00000
    128       1.8296      0.00000
    129       1.9587      0.00000
    130       1.9687      0.00000
    131       1.9746      0.00000
    132       1.9893      0.00000
    133       1.9965      0.00000
    134       2.0780      0.00000
    135       2.2487      0.00000
    136       2.3471      0.00000
    137       2.6075      0.00000
    138       2.6091      0.00000
    139       2.6356      0.00000
    140       2.7055      0.00000
    141       2.9350      0.00000
    142       3.0503      0.00000
    143       3.0687      0.00000
    144       3.1035      0.00000
    145       3.1038      0.00000
    146       3.1105      0.00000
    147       3.1122      0.00000
    148       3.2749      0.00000
    149       3.4545      0.00000
    150       3.5052      0.00000
    151       3.8227      0.00000
    152       3.9498      0.00000
    153       3.9542      0.00000
    154       3.9565      0.00000
    155       3.9585      0.00000
    156       3.9957      0.00000
    157       4.1897      0.00000
    158       4.2628      0.00000
    159       4.2802      0.00000
    160       4.2843      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8317      1.00000
      3     -21.6394      1.00000
      4     -21.6116      1.00000
      5     -21.2758      1.00000
      6     -21.2364      1.00000
      7     -21.0580      1.00000
      8     -20.1687      1.00000
      9     -20.1305      1.00000
     10     -19.6096      1.00000
     11     -19.5985      1.00000
     12     -19.4181      1.00000
     13     -19.0905      1.00000
     14     -19.0609      1.00000
     15     -19.0498      1.00000
     16     -19.0423      1.00000
     17     -18.3614      1.00000
     18     -18.3530      1.00000
     19     -18.0198      1.00000
     20     -17.0698      1.00000
     21     -17.0310      1.00000
     22     -16.9444      1.00000
     23     -16.9406      1.00000
     24     -16.4684      1.00000
     25     -16.4638      1.00000
     26     -15.6149      1.00000
     27     -15.6080      1.00000
     28     -15.2532      1.00000
     29     -15.2441      1.00000
     30     -15.1853      1.00000
     31     -15.0985      1.00000
     32     -15.0716      1.00000
     33     -14.6991      1.00000
     34     -14.6971      1.00000
     35     -13.7270      1.00000
     36     -13.7244      1.00000
     37     -13.2361      1.00000
     38     -12.6145      1.00000
     39     -12.5843      1.00000
     40     -12.4548      1.00000
     41     -12.4512      1.00000
     42     -12.1096      1.00000
     43     -12.1050      1.00000
     44     -11.7178      1.00000
     45     -11.6869      1.00000
     46     -11.2354      1.00000
     47     -11.2261      1.00000
     48     -11.0181      1.00000
     49     -11.0101      1.00000
     50     -10.9271      1.00000
     51     -10.9057      1.00000
     52     -10.6316      1.00000
     53     -10.1553      1.00000
     54     -10.1512      1.00000
     55     -10.0920      1.00000
     56      -9.9990      1.00000
     57      -9.7033      1.00000
     58      -9.6952      1.00000
     59      -9.6565      1.00000
     60      -9.5921      1.00000
     61      -9.5770      1.00000
     62      -9.5590      1.00000
     63      -9.3073      1.00000
     64      -9.3035      1.00000
     65      -9.2746      1.00000
     66      -9.2369      1.00000
     67      -9.1372      1.00000
     68      -9.1153      1.00000
     69      -9.1116      1.00000
     70      -8.9401      1.00000
     71      -8.8724      1.00000
     72      -8.6045      1.00000
     73      -8.5910      1.00000
     74      -8.2367      1.00000
     75      -8.1005      1.00000
     76      -7.9135      1.00000
     77      -7.8640      1.00000
     78      -7.7718      1.00000
     79      -7.7569      1.00000
     80      -7.6923      1.00000
     81      -7.5606      1.00000
     82      -7.3389      1.00000
     83      -7.3228      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0124      1.00000
     88      -6.7047      1.00000
     89      -6.6783      1.00000
     90      -6.6413      1.00000
     91      -6.5978      1.00000
     92      -6.1158      1.00000
     93      -6.0624      1.00000
     94      -6.0312      1.00000
     95      -6.0115      1.00000
     96      -5.7834      1.00000
     97      -4.9745      1.00000
     98      -4.8321      1.00000
     99      -4.7470      1.00000
    100      -4.6794      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1719      1.00000
    104      -4.1279      1.00000
    105      -3.7295      1.00000
    106      -3.4877      1.00000
    107      -1.8703      0.00000
    108      -1.8089      0.00000
    109      -1.5243      0.00000
    110      -1.3775      0.00000
    111      -1.3214      0.00000
    112      -1.2879      0.00000
    113      -0.7198      0.00000
    114      -0.3759      0.00000
    115      -0.2499      0.00000
    116       0.0370      0.00000
    117       0.5553      0.00000
    118       0.6984      0.00000
    119       0.7464      0.00000
    120       1.0479      0.00000
    121       1.1000      0.00000
    122       1.1494      0.00000
    123       1.2273      0.00000
    124       1.3771      0.00000
    125       1.5229      0.00000
    126       1.5811      0.00000
    127       1.7151      0.00000
    128       1.8170      0.00000
    129       1.8584      0.00000
    130       1.8817      0.00000
    131       2.0970      0.00000
    132       2.1857      0.00000
    133       2.2413      0.00000
    134       2.3056      0.00000
    135       2.5119      0.00000
    136       2.5868      0.00000
    137       2.6440      0.00000
    138       2.7778      0.00000
    139       2.7948      0.00000
    140       2.8262      0.00000
    141       2.8655      0.00000
    142       2.8991      0.00000
    143       2.9478      0.00000
    144       3.0784      0.00000
    145       3.1517      0.00000
    146       3.3212      0.00000
    147       3.3891      0.00000
    148       3.4348      0.00000
    149       3.4644      0.00000
    150       3.6150      0.00000
    151       3.6468      0.00000
    152       3.6673      0.00000
    153       3.7110      0.00000
    154       3.9083      0.00000
    155       3.9631      0.00000
    156       4.0167      0.00000
    157       4.0716      0.00000
    158       4.2339      0.00000
    159       4.2481      0.00000
    160       4.2794      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2848      1.00000
      2     -22.0792      1.00000
      3     -21.7179      1.00000
      4     -21.6860      1.00000
      5     -20.9806      1.00000
      6     -20.9400      1.00000
      7     -20.6129      1.00000
      8     -20.5763      1.00000
      9     -20.5700      1.00000
     10     -20.0336      1.00000
     11     -19.5044      1.00000
     12     -19.4926      1.00000
     13     -19.3077      1.00000
     14     -19.3026      1.00000
     15     -18.4485      1.00000
     16     -18.4118      1.00000
     17     -17.9230      1.00000
     18     -17.9137      1.00000
     19     -17.7623      1.00000
     20     -17.7266      1.00000
     21     -17.4365      1.00000
     22     -17.4292      1.00000
     23     -17.3415      1.00000
     24     -16.4634      1.00000
     25     -16.4623      1.00000
     26     -15.9677      1.00000
     27     -15.4150      1.00000
     28     -15.4096      1.00000
     29     -15.0972      1.00000
     30     -15.0938      1.00000
     31     -14.8555      1.00000
     32     -14.8478      1.00000
     33     -14.2907      1.00000
     34     -14.2579      1.00000
     35     -13.4370      1.00000
     36     -13.4045      1.00000
     37     -13.1779      1.00000
     38     -13.1746      1.00000
     39     -12.9825      1.00000
     40     -12.9776      1.00000
     41     -12.6134      1.00000
     42     -12.6102      1.00000
     43     -12.1980      1.00000
     44     -11.5771      1.00000
     45     -11.5433      1.00000
     46     -11.3112      1.00000
     47     -11.2884      1.00000
     48     -11.1422      1.00000
     49     -10.6767      1.00000
     50     -10.6606      1.00000
     51     -10.5536      1.00000
     52     -10.3237      1.00000
     53     -10.3181      1.00000
     54     -10.1699      1.00000
     55     -10.1156      1.00000
     56     -10.1129      1.00000
     57      -9.7987      1.00000
     58      -9.7651      1.00000
     59      -9.7523      1.00000
     60      -9.7003      1.00000
     61      -9.6972      1.00000
     62      -9.6626      1.00000
     63      -9.3545      1.00000
     64      -9.3518      1.00000
     65      -9.3158      1.00000
     66      -9.0414      1.00000
     67      -8.9623      1.00000
     68      -8.9499      1.00000
     69      -8.7999      1.00000
     70      -8.5951      1.00000
     71      -8.5580      1.00000
     72      -8.3988      1.00000
     73      -8.3653      1.00000
     74      -8.3246      1.00000
     75      -8.3072      1.00000
     76      -8.2590      1.00000
     77      -8.2573      1.00000
     78      -8.2365      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3865      1.00000
     83      -7.3494      1.00000
     84      -7.2309      1.00000
     85      -7.0967      1.00000
     86      -7.0390      1.00000
     87      -6.9341      1.00000
     88      -6.8483      1.00000
     89      -6.6127      1.00000
     90      -6.5587      1.00000
     91      -6.2698      1.00000
     92      -6.0439      1.00000
     93      -5.9517      1.00000
     94      -5.6628      1.00000
     95      -5.6227      1.00000
     96      -5.4633      1.00000
     97      -5.3201      1.00000
     98      -5.2789      1.00000
     99      -5.2139      1.00000
    100      -5.1939      1.00000
    101      -4.5084      1.00000
    102      -4.2076      1.00000
    103      -4.0592      1.00000
    104      -3.9891      1.00000
    105      -3.6943      1.00000
    106      -3.4979      1.00000
    107      -1.9462      0.00000
    108      -1.8963      0.00000
    109      -1.3390      0.00000
    110      -1.0848      0.00000
    111      -1.0581      0.00000
    112      -0.8002      0.00000
    113      -0.6775      0.00000
    114      -0.6467      0.00000
    115      -0.6071      0.00000
    116      -0.1080      0.00000
    117       0.2156      0.00000
    118       0.3292      0.00000
    119       0.6936      0.00000
    120       0.8871      0.00000
    121       1.1272      0.00000
    122       1.1991      0.00000
    123       1.3258      0.00000
    124       1.4199      0.00000
    125       1.5540      0.00000
    126       1.5762      0.00000
    127       1.6781      0.00000
    128       1.8083      0.00000
    129       1.8818      0.00000
    130       2.0546      0.00000
    131       2.1285      0.00000
    132       2.3298      0.00000
    133       2.3615      0.00000
    134       2.3945      0.00000
    135       2.5441      0.00000
    136       2.6300      0.00000
    137       2.7285      0.00000
    138       2.7637      0.00000
    139       2.8300      0.00000
    140       2.8788      0.00000
    141       3.0449      0.00000
    142       3.0546      0.00000
    143       3.1614      0.00000
    144       3.2636      0.00000
    145       3.3612      0.00000
    146       3.4157      0.00000
    147       3.4333      0.00000
    148       3.5642      0.00000
    149       3.5808      0.00000
    150       3.5976      0.00000
    151       3.6599      0.00000
    152       3.6760      0.00000
    153       3.7807      0.00000
    154       3.8005      0.00000
    155       3.8126      0.00000
    156       3.8972      0.00000
    157       3.9201      0.00000
    158       3.9991      0.00000
    159       4.2126      0.00000
    160       4.2288      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3188      1.00000
      2     -21.9641      1.00000
      3     -21.8949      1.00000
      4     -21.3821      1.00000
      5     -21.3529      1.00000
      6     -20.8408      1.00000
      7     -20.7755      1.00000
      8     -20.6252      1.00000
      9     -20.0787      1.00000
     10     -20.0730      1.00000
     11     -19.7178      1.00000
     12     -19.6933      1.00000
     13     -18.9974      1.00000
     14     -18.9915      1.00000
     15     -18.6416      1.00000
     16     -18.6256      1.00000
     17     -18.4629      1.00000
     18     -17.6760      1.00000
     19     -17.6256      1.00000
     20     -17.6228      1.00000
     21     -17.5809      1.00000
     22     -17.1273      1.00000
     23     -17.1058      1.00000
     24     -16.9626      1.00000
     25     -16.0023      1.00000
     26     -15.9304      1.00000
     27     -15.5864      1.00000
     28     -15.5861      1.00000
     29     -15.2875      1.00000
     30     -14.8647      1.00000
     31     -14.8375      1.00000
     32     -14.5794      1.00000
     33     -14.5375      1.00000
     34     -14.1693      1.00000
     35     -14.1557      1.00000
     36     -13.1484      1.00000
     37     -13.1012      1.00000
     38     -13.0301      1.00000
     39     -13.0199      1.00000
     40     -12.7094      1.00000
     41     -12.7053      1.00000
     42     -12.3422      1.00000
     43     -12.3110      1.00000
     44     -11.6364      1.00000
     45     -11.6228      1.00000
     46     -11.5727      1.00000
     47     -10.9500      1.00000
     48     -10.9169      1.00000
     49     -10.6329      1.00000
     50     -10.6247      1.00000
     51     -10.5478      1.00000
     52     -10.5001      1.00000
     53     -10.4998      1.00000
     54     -10.4398      1.00000
     55     -10.3606      1.00000
     56     -10.1000      1.00000
     57      -9.9042      1.00000
     58      -9.6087      1.00000
     59      -9.5564      1.00000
     60      -9.4529      1.00000
     61      -9.4125      1.00000
     62      -9.4056      1.00000
     63      -9.3775      1.00000
     64      -9.3771      1.00000
     65      -9.2879      1.00000
     66      -9.1690      1.00000
     67      -9.1435      1.00000
     68      -9.1151      1.00000
     69      -8.8651      1.00000
     70      -8.8575      1.00000
     71      -8.8157      1.00000
     72      -8.5974      1.00000
     73      -8.4805      1.00000
     74      -8.1991      1.00000
     75      -8.1636      1.00000
     76      -8.0092      1.00000
     77      -7.9639      1.00000
     78      -7.8506      1.00000
     79      -7.8405      1.00000
     80      -7.7043      1.00000
     81      -7.6970      1.00000
     82      -7.6224      1.00000
     83      -7.4490      1.00000
     84      -7.3009      1.00000
     85      -7.2532      1.00000
     86      -6.9065      1.00000
     87      -6.8927      1.00000
     88      -6.5889      1.00000
     89      -6.5514      1.00000
     90      -6.4062      1.00000
     91      -6.2536      1.00000
     92      -6.2329      1.00000
     93      -6.2055      1.00000
     94      -6.0232      1.00000
     95      -5.5501      1.00000
     96      -5.4890      1.00000
     97      -5.3504      1.00000
     98      -5.2198      1.00000
     99      -4.9795      1.00000
    100      -4.7326      1.00000
    101      -4.6780      1.00000
    102      -4.3874      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5464      1.00000
    106      -3.5099      1.00000
    107      -2.2562      0.00000
    108      -1.4565      0.00000
    109      -1.3712      0.00000
    110      -1.2417      0.00000
    111      -1.0978      0.00000
    112      -0.9450      0.00000
    113      -0.8636      0.00000
    114      -0.8032      0.00000
    115      -0.1393      0.00000
    116       0.1112      0.00000
    117       0.2408      0.00000
    118       0.3777      0.00000
    119       0.6511      0.00000
    120       0.8359      0.00000
    121       0.9366      0.00000
    122       1.0633      0.00000
    123       1.2327      0.00000
    124       1.4475      0.00000
    125       1.5488      0.00000
    126       1.7664      0.00000
    127       1.7932      0.00000
    128       1.8749      0.00000
    129       1.9676      0.00000
    130       2.0458      0.00000
    131       2.1745      0.00000
    132       2.1960      0.00000
    133       2.4093      0.00000
    134       2.4656      0.00000
    135       2.5341      0.00000
    136       2.6043      0.00000
    137       2.6391      0.00000
    138       2.6950      0.00000
    139       2.7733      0.00000
    140       2.8328      0.00000
    141       2.9476      0.00000
    142       3.0798      0.00000
    143       3.2001      0.00000
    144       3.2145      0.00000
    145       3.2618      0.00000
    146       3.3225      0.00000
    147       3.3272      0.00000
    148       3.4673      0.00000
    149       3.4979      0.00000
    150       3.6993      0.00000
    151       3.7111      0.00000
    152       3.7306      0.00000
    153       3.8571      0.00000
    154       3.9162      0.00000
    155       3.9422      0.00000
    156       3.9800      0.00000
    157       4.0169      0.00000
    158       4.0339      0.00000
    159       4.0478      0.00000
    160       4.0664      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2118      1.00000
      2     -22.1188      1.00000
      3     -21.9581      1.00000
      4     -21.4057      1.00000
      5     -21.0510      1.00000
      6     -21.0151      1.00000
      7     -20.5018      1.00000
      8     -20.4624      1.00000
      9     -20.2960      1.00000
     10     -20.2767      1.00000
     11     -19.9586      1.00000
     12     -19.8929      1.00000
     13     -18.8835      1.00000
     14     -18.8148      1.00000
     15     -18.3538      1.00000
     16     -18.3075      1.00000
     17     -18.1539      1.00000
     18     -18.1367      1.00000
     19     -17.8276      1.00000
     20     -17.7900      1.00000
     21     -17.2525      1.00000
     22     -17.2424      1.00000
     23     -17.1654      1.00000
     24     -17.1337      1.00000
     25     -16.1109      1.00000
     26     -15.8864      1.00000
     27     -15.8711      1.00000
     28     -15.8349      1.00000
     29     -15.2371      1.00000
     30     -14.5559      1.00000
     31     -14.5280      1.00000
     32     -14.2808      1.00000
     33     -13.9644      1.00000
     34     -13.9569      1.00000
     35     -13.8208      1.00000
     36     -13.8050      1.00000
     37     -13.6153      1.00000
     38     -13.5715      1.00000
     39     -13.3709      1.00000
     40     -12.6353      1.00000
     41     -12.1815      1.00000
     42     -12.1335      1.00000
     43     -12.0729      1.00000
     44     -12.0206      1.00000
     45     -11.6701      1.00000
     46     -11.6565      1.00000
     47     -11.1394      1.00000
     48     -11.1188      1.00000
     49     -10.7954      1.00000
     50     -10.7318      1.00000
     51     -10.5294      1.00000
     52     -10.2090      1.00000
     53     -10.2063      1.00000
     54     -10.1653      1.00000
     55     -10.0183      1.00000
     56     -10.0048      1.00000
     57      -9.9912      1.00000
     58      -9.8018      1.00000
     59      -9.7979      1.00000
     60      -9.7627      1.00000
     61      -9.7579      1.00000
     62      -9.4551      1.00000
     63      -9.4179      1.00000
     64      -9.0810      1.00000
     65      -9.0728      1.00000
     66      -9.0412      1.00000
     67      -8.9557      1.00000
     68      -8.8778      1.00000
     69      -8.7125      1.00000
     70      -8.7002      1.00000
     71      -8.5663      1.00000
     72      -8.5435      1.00000
     73      -8.4997      1.00000
     74      -8.4629      1.00000
     75      -8.4538      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0438      1.00000
     79      -7.9159      1.00000
     80      -7.8635      1.00000
     81      -7.6151      1.00000
     82      -7.5488      1.00000
     83      -7.4901      1.00000
     84      -7.2680      1.00000
     85      -6.9954      1.00000
     86      -6.9232      1.00000
     87      -6.8822      1.00000
     88      -6.5327      1.00000
     89      -6.4873      1.00000
     90      -6.4614      1.00000
     91      -6.4104      1.00000
     92      -5.9840      1.00000
     93      -5.8976      1.00000
     94      -5.7847      1.00000
     95      -5.7597      1.00000
     96      -5.4322      1.00000
     97      -5.3294      1.00000
     98      -5.2303      1.00000
     99      -5.2178      1.00000
    100      -5.1885      1.00000
    101      -4.6922      1.00000
    102      -4.4214      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5291      1.00000
    106      -3.2742      1.00000
    107      -2.5311      0.00000
    108      -1.4580      0.00000
    109      -1.2666      0.00000
    110      -1.2029      0.00000
    111      -1.1724      0.00000
    112      -0.7196      0.00000
    113      -0.5034      0.00000
    114      -0.4118      0.00000
    115      -0.3394      0.00000
    116      -0.1459      0.00000
    117      -0.0027      0.00000
    118       0.1939      0.00000
    119       0.5613      0.00000
    120       0.6126      0.00000
    121       0.7958      0.00000
    122       0.9063      0.00000
    123       1.1318      0.00000
    124       1.4923      0.00000
    125       1.6342      0.00000
    126       1.8508      0.00000
    127       1.9260      0.00000
    128       2.1043      0.00000
    129       2.1144      0.00000
    130       2.1581      0.00000
    131       2.1906      0.00000
    132       2.2799      0.00000
    133       2.3429      0.00000
    134       2.4722      0.00000
    135       2.5826      0.00000
    136       2.6567      0.00000
    137       2.8535      0.00000
    138       2.8713      0.00000
    139       2.8930      0.00000
    140       3.0104      0.00000
    141       3.0201      0.00000
    142       3.1393      0.00000
    143       3.1861      0.00000
    144       3.2304      0.00000
    145       3.2724      0.00000
    146       3.2837      0.00000
    147       3.3000      0.00000
    148       3.3460      0.00000
    149       3.4236      0.00000
    150       3.4493      0.00000
    151       3.5549      0.00000
    152       3.6246      0.00000
    153       3.7133      0.00000
    154       3.7360      0.00000
    155       3.7719      0.00000
    156       3.8944      0.00000
    157       3.9390      0.00000
    158       4.0038      0.00000
    159       4.1293      0.00000
    160       4.2221      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3186      1.00000
      2     -21.9656      1.00000
      3     -21.8934      1.00000
      4     -21.3858      1.00000
      5     -21.3494      1.00000
      6     -20.8406      1.00000
      7     -20.7742      1.00000
      8     -20.6261      1.00000
      9     -20.0906      1.00000
     10     -20.0619      1.00000
     11     -19.7195      1.00000
     12     -19.6907      1.00000
     13     -19.0108      1.00000
     14     -18.9796      1.00000
     15     -18.6507      1.00000
     16     -18.6179      1.00000
     17     -18.4616      1.00000
     18     -17.6612      1.00000
     19     -17.6476      1.00000
     20     -17.6113      1.00000
     21     -17.5788      1.00000
     22     -17.1379      1.00000
     23     -17.0980      1.00000
     24     -16.9663      1.00000
     25     -16.0087      1.00000
     26     -15.9238      1.00000
     27     -15.5997      1.00000
     28     -15.5762      1.00000
     29     -15.2803      1.00000
     30     -14.8774      1.00000
     31     -14.8304      1.00000
     32     -14.5753      1.00000
     33     -14.5374      1.00000
     34     -14.1643      1.00000
     35     -14.1603      1.00000
     36     -13.1626      1.00000
     37     -13.0968      1.00000
     38     -13.0237      1.00000
     39     -13.0189      1.00000
     40     -12.7184      1.00000
     41     -12.6952      1.00000
     42     -12.3414      1.00000
     43     -12.3142      1.00000
     44     -11.6318      1.00000
     45     -11.6226      1.00000
     46     -11.5706      1.00000
     47     -10.9411      1.00000
     48     -10.9233      1.00000
     49     -10.6694      1.00000
     50     -10.5901      1.00000
     51     -10.5735      1.00000
     52     -10.5010      1.00000
     53     -10.4896      1.00000
     54     -10.4393      1.00000
     55     -10.3568      1.00000
     56     -10.1044      1.00000
     57      -9.8984      1.00000
     58      -9.6092      1.00000
     59      -9.5519      1.00000
     60      -9.4548      1.00000
     61      -9.4181      1.00000
     62      -9.4099      1.00000
     63      -9.3799      1.00000
     64      -9.3727      1.00000
     65      -9.2680      1.00000
     66      -9.1652      1.00000
     67      -9.1412      1.00000
     68      -9.1158      1.00000
     69      -8.8662      1.00000
     70      -8.8602      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1932      1.00000
     75      -8.1706      1.00000
     76      -8.0761      1.00000
     77      -7.8580      1.00000
     78      -7.8371      1.00000
     79      -7.8242      1.00000
     80      -7.7105      1.00000
     81      -7.6961      1.00000
     82      -7.5977      1.00000
     83      -7.5301      1.00000
     84      -7.3506      1.00000
     85      -7.1679      1.00000
     86      -6.9051      1.00000
     87      -6.8958      1.00000
     88      -6.5927      1.00000
     89      -6.5515      1.00000
     90      -6.4061      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2009      1.00000
     94      -6.0041      1.00000
     95      -5.5319      1.00000
     96      -5.4654      1.00000
     97      -5.3142      1.00000
     98      -5.2096      1.00000
     99      -5.0470      1.00000
    100      -4.7236      1.00000
    101      -4.6716      1.00000
    102      -4.4239      1.00000
    103      -4.1947      1.00000
    104      -3.8428      1.00000
    105      -3.6345      1.00000
    106      -3.4162      1.00000
    107      -2.2925      0.00000
    108      -1.5093      0.00000
    109      -1.2699      0.00000
    110      -1.2623      0.00000
    111      -1.0343      0.00000
    112      -0.9778      0.00000
    113      -0.8680      0.00000
    114      -0.7998      0.00000
    115      -0.2616      0.00000
    116       0.2044      0.00000
    117       0.2396      0.00000
    118       0.3600      0.00000
    119       0.6903      0.00000
    120       0.8942      0.00000
    121       0.9239      0.00000
    122       1.0401      0.00000
    123       1.1664      0.00000
    124       1.5091      0.00000
    125       1.5580      0.00000
    126       1.7099      0.00000
    127       1.7788      0.00000
    128       1.8340      0.00000
    129       1.9651      0.00000
    130       1.9838      0.00000
    131       2.1869      0.00000
    132       2.2598      0.00000
    133       2.4138      0.00000
    134       2.4727      0.00000
    135       2.5327      0.00000
    136       2.6005      0.00000
    137       2.6188      0.00000
    138       2.6982      0.00000
    139       2.7535      0.00000
    140       2.8618      0.00000
    141       3.0349      0.00000
    142       3.0780      0.00000
    143       3.1900      0.00000
    144       3.2478      0.00000
    145       3.2639      0.00000
    146       3.2987      0.00000
    147       3.3496      0.00000
    148       3.4520      0.00000
    149       3.5192      0.00000
    150       3.6916      0.00000
    151       3.7171      0.00000
    152       3.7534      0.00000
    153       3.8316      0.00000
    154       3.8916      0.00000
    155       3.9298      0.00000
    156       3.9775      0.00000
    157       4.0080      0.00000
    158       4.0449      0.00000
    159       4.0477      0.00000
    160       4.0867      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3908      1.00000
      2     -21.8320      1.00000
      3     -21.6426      1.00000
      4     -21.6076      1.00000
      5     -21.2800      1.00000
      6     -21.2329      1.00000
      7     -21.0576      1.00000
      8     -20.1725      1.00000
      9     -20.1264      1.00000
     10     -19.6178      1.00000
     11     -19.5916      1.00000
     12     -19.4166      1.00000
     13     -19.0955      1.00000
     14     -19.0569      1.00000
     15     -19.0524      1.00000
     16     -19.0397      1.00000
     17     -18.3676      1.00000
     18     -18.3478      1.00000
     19     -18.0175      1.00000
     20     -17.0730      1.00000
     21     -17.0242      1.00000
     22     -16.9503      1.00000
     23     -16.9364      1.00000
     24     -16.4752      1.00000
     25     -16.4633      1.00000
     26     -15.6100      1.00000
     27     -15.6095      1.00000
     28     -15.2504      1.00000
     29     -15.2383      1.00000
     30     -15.1923      1.00000
     31     -15.1021      1.00000
     32     -15.0692      1.00000
     33     -14.6988      1.00000
     34     -14.6978      1.00000
     35     -13.7253      1.00000
     36     -13.7253      1.00000
     37     -13.2359      1.00000
     38     -12.6246      1.00000
     39     -12.5805      1.00000
     40     -12.4554      1.00000
     41     -12.4501      1.00000
     42     -12.1052      1.00000
     43     -12.1003      1.00000
     44     -11.7218      1.00000
     45     -11.6832      1.00000
     46     -11.2455      1.00000
     47     -11.2249      1.00000
     48     -11.0181      1.00000
     49     -11.0065      1.00000
     50     -10.9280      1.00000
     51     -10.8993      1.00000
     52     -10.6376      1.00000
     53     -10.1728      1.00000
     54     -10.1499      1.00000
     55     -10.0851      1.00000
     56      -9.9926      1.00000
     57      -9.6966      1.00000
     58      -9.6900      1.00000
     59      -9.6709      1.00000
     60      -9.5914      1.00000
     61      -9.5674      1.00000
     62      -9.5542      1.00000
     63      -9.3132      1.00000
     64      -9.3005      1.00000
     65      -9.2837      1.00000
     66      -9.2430      1.00000
     67      -9.1227      1.00000
     68      -9.1129      1.00000
     69      -9.1112      1.00000
     70      -8.9400      1.00000
     71      -8.8752      1.00000
     72      -8.6048      1.00000
     73      -8.5861      1.00000
     74      -8.2712      1.00000
     75      -8.1016      1.00000
     76      -7.8675      1.00000
     77      -7.8439      1.00000
     78      -7.7907      1.00000
     79      -7.7649      1.00000
     80      -7.7559      1.00000
     81      -7.4473      1.00000
     82      -7.3349      1.00000
     83      -7.3234      1.00000
     84      -7.2664      1.00000
     85      -7.1628      1.00000
     86      -7.0148      1.00000
     87      -6.9867      1.00000
     88      -6.7179      1.00000
     89      -6.6908      1.00000
     90      -6.6319      1.00000
     91      -6.5907      1.00000
     92      -6.1178      1.00000
     93      -6.0589      1.00000
     94      -6.0448      1.00000
     95      -6.0285      1.00000
     96      -5.7480      1.00000
     97      -4.9747      1.00000
     98      -4.8396      1.00000
     99      -4.7090      1.00000
    100      -4.6735      1.00000
    101      -4.4836      1.00000
    102      -4.3522      1.00000
    103      -4.1119      1.00000
    104      -4.0555      1.00000
    105      -3.7549      1.00000
    106      -3.4654      1.00000
    107      -1.9505      0.00000
    108      -1.7711      0.00000
    109      -1.4797      0.00000
    110      -1.3555      0.00000
    111      -1.3358      0.00000
    112      -1.2925      0.00000
    113      -0.6785      0.00000
    114      -0.4719      0.00000
    115      -0.2354      0.00000
    116       0.0517      0.00000
    117       0.5868      0.00000
    118       0.6925      0.00000
    119       0.7701      0.00000
    120       1.0227      0.00000
    121       1.0970      0.00000
    122       1.1765      0.00000
    123       1.2499      0.00000
    124       1.3342      0.00000
    125       1.4325      0.00000
    126       1.5972      0.00000
    127       1.7657      0.00000
    128       1.8424      0.00000
    129       1.8607      0.00000
    130       1.8872      0.00000
    131       2.0476      0.00000
    132       2.2170      0.00000
    133       2.2310      0.00000
    134       2.2845      0.00000
    135       2.4793      0.00000
    136       2.6154      0.00000
    137       2.6458      0.00000
    138       2.7504      0.00000
    139       2.7922      0.00000
    140       2.8363      0.00000
    141       2.8473      0.00000
    142       2.8774      0.00000
    143       2.9521      0.00000
    144       3.0825      0.00000
    145       3.3183      0.00000
    146       3.3569      0.00000
    147       3.4091      0.00000
    148       3.4212      0.00000
    149       3.4220      0.00000
    150       3.5979      0.00000
    151       3.6532      0.00000
    152       3.6718      0.00000
    153       3.7279      0.00000
    154       3.8933      0.00000
    155       3.9253      0.00000
    156       3.9579      0.00000
    157       4.1122      0.00000
    158       4.2073      0.00000
    159       4.2501      0.00000
    160       4.2824      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2109      1.00000
      2     -22.1202      1.00000
      3     -21.9578      1.00000
      4     -21.4057      1.00000
      5     -21.0472      1.00000
      6     -21.0189      1.00000
      7     -20.4970      1.00000
      8     -20.4671      1.00000
      9     -20.2872      1.00000
     10     -20.2853      1.00000
     11     -19.9575      1.00000
     12     -19.8945      1.00000
     13     -18.8841      1.00000
     14     -18.8165      1.00000
     15     -18.3385      1.00000
     16     -18.3195      1.00000
     17     -18.1498      1.00000
     18     -18.1423      1.00000
     19     -17.8165      1.00000
     20     -17.7985      1.00000
     21     -17.2586      1.00000
     22     -17.2391      1.00000
     23     -17.1608      1.00000
     24     -17.1360      1.00000
     25     -16.1174      1.00000
     26     -15.8811      1.00000
     27     -15.8701      1.00000
     28     -15.8409      1.00000
     29     -15.2313      1.00000
     30     -14.5513      1.00000
     31     -14.5329      1.00000
     32     -14.2760      1.00000
     33     -13.9755      1.00000
     34     -13.9519      1.00000
     35     -13.8252      1.00000
     36     -13.8029      1.00000
     37     -13.6044      1.00000
     38     -13.5791      1.00000
     39     -13.3711      1.00000
     40     -12.6396      1.00000
     41     -12.1690      1.00000
     42     -12.1427      1.00000
     43     -12.0684      1.00000
     44     -12.0216      1.00000
     45     -11.6654      1.00000
     46     -11.6607      1.00000
     47     -11.1368      1.00000
     48     -11.1258      1.00000
     49     -10.7905      1.00000
     50     -10.7343      1.00000
     51     -10.5361      1.00000
     52     -10.2089      1.00000
     53     -10.2027      1.00000
     54     -10.1710      1.00000
     55     -10.0232      1.00000
     56      -9.9948      1.00000
     57      -9.9906      1.00000
     58      -9.8055      1.00000
     59      -9.7964      1.00000
     60      -9.7648      1.00000
     61      -9.7569      1.00000
     62      -9.4544      1.00000
     63      -9.4178      1.00000
     64      -9.0851      1.00000
     65      -9.0463      1.00000
     66      -9.0259      1.00000
     67      -8.9697      1.00000
     68      -8.8981      1.00000
     69      -8.7085      1.00000
     70      -8.6993      1.00000
     71      -8.5599      1.00000
     72      -8.5492      1.00000
     73      -8.4781      1.00000
     74      -8.4598      1.00000
     75      -8.4570      1.00000
     76      -8.3087      1.00000
     77      -8.0954      1.00000
     78      -8.0896      1.00000
     79      -7.9268      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5368      1.00000
     83      -7.4437      1.00000
     84      -7.3142      1.00000
     85      -6.9941      1.00000
     86      -6.9194      1.00000
     87      -6.8824      1.00000
     88      -6.5276      1.00000
     89      -6.5149      1.00000
     90      -6.4808      1.00000
     91      -6.4207      1.00000
     92      -5.9272      1.00000
     93      -5.9054      1.00000
     94      -5.7889      1.00000
     95      -5.7750      1.00000
     96      -5.3694      1.00000
     97      -5.3632      1.00000
     98      -5.2204      1.00000
     99      -5.2155      1.00000
    100      -5.1988      1.00000
    101      -4.7204      1.00000
    102      -4.4423      1.00000
    103      -4.1908      1.00000
    104      -3.8204      1.00000
    105      -3.5654      1.00000
    106      -3.2214      1.00000
    107      -2.5625      0.00000
    108      -1.4631      0.00000
    109      -1.2672      0.00000
    110      -1.1851      0.00000
    111      -1.1836      0.00000
    112      -0.6447      0.00000
    113      -0.5513      0.00000
    114      -0.4147      0.00000
    115      -0.3473      0.00000
    116      -0.0776      0.00000
    117      -0.0633      0.00000
    118       0.1260      0.00000
    119       0.5932      0.00000
    120       0.6265      0.00000
    121       0.8546      0.00000
    122       0.9849      0.00000
    123       1.0030      0.00000
    124       1.4936      0.00000
    125       1.6832      0.00000
    126       1.7627      0.00000
    127       1.8591      0.00000
    128       2.1113      0.00000
    129       2.1518      0.00000
    130       2.1923      0.00000
    131       2.2103      0.00000
    132       2.2581      0.00000
    133       2.3573      0.00000
    134       2.4935      0.00000
    135       2.5166      0.00000
    136       2.6633      0.00000
    137       2.8526      0.00000
    138       2.8592      0.00000
    139       2.9527      0.00000
    140       2.9972      0.00000
    141       3.0350      0.00000
    142       3.1346      0.00000
    143       3.1993      0.00000
    144       3.2444      0.00000
    145       3.2467      0.00000
    146       3.2795      0.00000
    147       3.3029      0.00000
    148       3.3543      0.00000
    149       3.4244      0.00000
    150       3.5503      0.00000
    151       3.5661      0.00000
    152       3.6462      0.00000
    153       3.6650      0.00000
    154       3.7089      0.00000
    155       3.7332      0.00000
    156       3.8964      0.00000
    157       3.9593      0.00000
    158       4.0353      0.00000
    159       4.0742      0.00000
    160       4.1831      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2844      1.00000
      2     -22.0798      1.00000
      3     -21.7214      1.00000
      4     -21.6822      1.00000
      5     -20.9839      1.00000
      6     -20.9361      1.00000
      7     -20.6124      1.00000
      8     -20.5802      1.00000
      9     -20.5667      1.00000
     10     -20.0333      1.00000
     11     -19.5143      1.00000
     12     -19.4842      1.00000
     13     -19.3122      1.00000
     14     -19.2992      1.00000
     15     -18.4505      1.00000
     16     -18.4073      1.00000
     17     -17.9283      1.00000
     18     -17.9078      1.00000
     19     -17.7667      1.00000
     20     -17.7218      1.00000
     21     -17.4423      1.00000
     22     -17.4238      1.00000
     23     -17.3388      1.00000
     24     -16.4714      1.00000
     25     -16.4611      1.00000
     26     -15.9713      1.00000
     27     -15.4115      1.00000
     28     -15.4105      1.00000
     29     -15.0964      1.00000
     30     -15.0933      1.00000
     31     -14.8535      1.00000
     32     -14.8412      1.00000
     33     -14.2984      1.00000
     34     -14.2547      1.00000
     35     -13.4447      1.00000
     36     -13.4009      1.00000
     37     -13.1754      1.00000
     38     -13.1740      1.00000
     39     -12.9864      1.00000
     40     -12.9775      1.00000
     41     -12.6109      1.00000
     42     -12.6088      1.00000
     43     -12.1973      1.00000
     44     -11.5797      1.00000
     45     -11.5386      1.00000
     46     -11.3136      1.00000
     47     -11.2833      1.00000
     48     -11.1425      1.00000
     49     -10.6926      1.00000
     50     -10.6632      1.00000
     51     -10.5475      1.00000
     52     -10.3227      1.00000
     53     -10.3150      1.00000
     54     -10.1762      1.00000
     55     -10.1214      1.00000
     56     -10.1081      1.00000
     57      -9.8119      1.00000
     58      -9.7529      1.00000
     59      -9.7524      1.00000
     60      -9.7026      1.00000
     61      -9.6987      1.00000
     62      -9.6473      1.00000
     63      -9.3530      1.00000
     64      -9.3515      1.00000
     65      -9.3179      1.00000
     66      -9.0282      1.00000
     67      -8.9618      1.00000
     68      -8.9580      1.00000
     69      -8.7758      1.00000
     70      -8.5916      1.00000
     71      -8.5886      1.00000
     72      -8.4240      1.00000
     73      -8.3499      1.00000
     74      -8.3225      1.00000
     75      -8.3023      1.00000
     76      -8.2658      1.00000
     77      -8.2541      1.00000
     78      -8.2393      1.00000
     79      -7.9216      1.00000
     80      -7.7341      1.00000
     81      -7.3798      1.00000
     82      -7.3503      1.00000
     83      -7.3236      1.00000
     84      -7.2175      1.00000
     85      -7.1604      1.00000
     86      -7.0654      1.00000
     87      -6.9609      1.00000
     88      -6.9054      1.00000
     89      -6.6133      1.00000
     90      -6.5568      1.00000
     91      -6.2709      1.00000
     92      -5.9967      1.00000
     93      -5.9595      1.00000
     94      -5.6753      1.00000
     95      -5.6487      1.00000
     96      -5.3875      1.00000
     97      -5.3151      1.00000
     98      -5.2940      1.00000
     99      -5.2121      1.00000
    100      -5.2004      1.00000
    101      -4.5115      1.00000
    102      -4.3387      1.00000
    103      -3.9965      1.00000
    104      -3.8859      1.00000
    105      -3.7928      1.00000
    106      -3.4433      1.00000
    107      -2.0345      0.00000
    108      -1.8633      0.00000
    109      -1.2176      0.00000
    110      -1.1841      0.00000
    111      -1.0358      0.00000
    112      -0.7721      0.00000
    113      -0.6772      0.00000
    114      -0.6598      0.00000
    115      -0.6096      0.00000
    116      -0.1017      0.00000
    117       0.2226      0.00000
    118       0.2398      0.00000
    119       0.7689      0.00000
    120       0.9833      0.00000
    121       1.0739      0.00000
    122       1.2413      0.00000
    123       1.2511      0.00000
    124       1.3405      0.00000
    125       1.5777      0.00000
    126       1.5852      0.00000
    127       1.7000      0.00000
    128       1.7979      0.00000
    129       1.9450      0.00000
    130       1.9591      0.00000
    131       2.0903      0.00000
    132       2.2992      0.00000
    133       2.3427      0.00000
    134       2.4151      0.00000
    135       2.5420      0.00000
    136       2.6278      0.00000
    137       2.7727      0.00000
    138       2.8329      0.00000
    139       2.8422      0.00000
    140       2.8639      0.00000
    141       3.0419      0.00000
    142       3.0989      0.00000
    143       3.1505      0.00000
    144       3.2201      0.00000
    145       3.3765      0.00000
    146       3.4155      0.00000
    147       3.5012      0.00000
    148       3.5445      0.00000
    149       3.5911      0.00000
    150       3.6076      0.00000
    151       3.6473      0.00000
    152       3.7343      0.00000
    153       3.7445      0.00000
    154       3.7780      0.00000
    155       3.8223      0.00000
    156       3.8803      0.00000
    157       4.0265      0.00000
    158       4.0850      0.00000
    159       4.1666      0.00000
    160       4.2103      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0416   -7.3901    4.1982   -1.2758   -0.2386   17.5938    0.1473   -0.5324    0.6337   -0.4648
x    -3.0926   -0.0374   -0.0631    0.0616   -0.0091   -2.9773   -0.0109   -0.0070    0.0049    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0416    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0940   -0.0087    0.0374    0.0377
y    -0.0458   -3.2478   -0.5380   -0.1636   -1.1810   -0.6054
z   204.0416    1.1260   -0.2804    0.0408    0.0090    0.0616    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0777    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1654
z    -0.2831    0.1873   -0.0390    0.0470   -0.1050    0.0013
 total charge-density along one line
x   212.0000  -10.2204    6.1463   -2.0858   -0.4744   19.5111   -0.9959    0.4742   -0.0449   -0.1261
x    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2204    6.1463   -2.0858   -0.4744   19.5111   -0.9959    0.4742   -0.0449   -0.1261
y    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4925  189.2923 -170.3679  153.6509 -139.4376  125.4337 -110.1201   93.9733  -78.3594
z    64.1501  -51.4978   40.4326  -31.2273   24.1311  -18.9486   15.0351  -11.7220    8.7174   -6.1226
z     4.1324   -2.7606    1.8231   -1.1124    0.5409   -0.1279   -0.1104    0.2272   -0.3090    0.4000
z    -0.4767    0.4932   -0.4398    0.3547   -0.2860    0.2512   -0.2335    0.2088   -0.1709    0.1317
z    -0.1037    0.0880   -0.0768    0.0637   -0.0490    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0074    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.030   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.585  -0.238   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.368  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.263   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.261   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.649
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.781   0.000   2.640
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.783   0.000   2.647
 28        0.864   1.785   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.785   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.646
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.860   1.781   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.649
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.870  89.435   8.029 142.334
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  113.98: CPU time   57.63
    FORLOC:  VPU time    1.23: CPU time    1.24
    FORNL :  VPU time  441.82: CPU time  221.86
    STRESS:  VPU time 1347.52: CPU time  677.72
    FORCOR:  VPU time    8.63: CPU time    8.64
    FORHAR:  VPU time    2.28: CPU time    2.28
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force =-0.1500908E-06[-0.146E-06,-0.154E-06]  d Energy = 0.1596418E-06-0.310E-06
 d Force =-0.7982894E-02[-0.798E-02,-0.798E-02]  d Ewald  = 0.7089661E-01-0.789E-01


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726417 eV

  energy  without entropy=     -471.726417  energy(sigma->0) =     -471.726417
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40850.09  40804.59 -47548.91    -39.40      0.00      0.00
  Hartree  40274.10  40255.01 -39532.85    -16.53      0.00      0.00
  E(xc)     -779.46   -779.75   -807.40     -0.25      0.00      0.00
  Local   -83408.17 -83352.61  84396.50     48.12      0.00      0.00
  n-local   -216.85   -215.73   -203.41      0.70      0.00      0.00
  augment     20.05     22.04     17.81      1.73      0.00      0.00
  Kinetic   3162.58   3176.29   3584.10      3.52      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.00      0.05     -0.23      0.04      0.00      0.00
  in kB        0.00      0.03     -0.14      0.02      0.00      0.00
  external pressure =       -0.04 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345135531  0.000687558  0.000000000     0.081000962  0.046759980  0.000000000
    -6.171978965 10.691540840  0.000000000    -0.000005209  0.093528881  0.000000000
     0.000000000  0.000000000 19.986412340     0.000000000  0.000000000  0.050033992

  length of vectors
    12.345135550 12.345135474 19.986412340     0.093528880  0.093528881  0.050033992


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.477E-05 -.490E-04 -.951E+03   0.448E-05 -.278E-04 0.960E+03   0.170E-20 -.169E-20 -.868E+01   0.283E-09 0.407E-10 -.707E-03
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   0.852E-05 -.566E-05 -.320E-04
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   -.852E-05 0.566E-05 -.320E-04
   -.206E+01 0.119E+01 0.163E+02   0.206E+01 -.119E+01 -.162E+02   -.328E-02 0.189E-02 -.242E-01   0.297E-04 -.201E-04 0.170E-04
   0.616E+01 0.684E+01 0.194E+02   -.616E+01 -.686E+01 -.193E+02   0.852E-03 0.215E-01 -.272E-01   -.348E-04 0.638E-04 0.114E-04
   0.112E+02 0.509E+01 0.162E+02   -.112E+02 -.510E+01 -.161E+02   0.202E-01 0.846E-02 -.479E-01   0.148E-04 -.264E-04 -.209E-05
   0.471E+01 -.883E+00 0.126E+02   -.473E+01 0.892E+00 -.126E+02   0.146E-01 -.735E-02 -.175E-01   -.106E-04 -.503E-05 -.194E-04
   -.308E+01 -.252E+01 0.126E+02   0.308E+01 0.252E+01 -.126E+02   -.143E-02 0.273E-02 -.130E-01   0.111E-04 -.181E-04 0.432E-05
   0.645E+00 0.393E+01 0.126E+02   -.646E+00 -.393E+01 -.126E+02   -.308E-02 -.129E-03 -.130E-01   0.157E-04 -.673E-05 0.105E-05
   0.242E+01 0.189E+02 0.240E+02   -.242E+01 -.190E+02 -.240E+02   -.234E-02 0.103E+00 -.486E-01   -.287E-04 -.668E-04 -.568E-05
   0.226E+02 0.214E+02 0.423E+02   -.227E+02 -.216E+02 -.422E+02   0.771E-01 0.262E+00 -.607E-01   0.939E-04 -.200E-04 -.257E-04
   0.268E+02 -.343E+01 0.256E+02   -.271E+02 0.355E+01 -.256E+02   0.269E+00 -.109E+00 -.338E-01   -.334E-04 0.362E-05 -.132E-04
   0.914E+01 -.527E+01 0.136E+02   -.918E+01 0.530E+01 -.136E+02   0.422E-01 -.244E-01 -.120E-01   -.353E-04 0.140E-04 0.907E-05
   0.312E+01 -.364E+01 0.126E+02   -.314E+01 0.365E+01 -.126E+02   0.137E-01 -.900E-02 -.175E-01   -.318E-05 0.740E-05 -.269E-04
   -.593E+01 0.136E+02 0.161E+02   0.593E+01 -.137E+02 -.161E+02   -.113E-02 0.715E-01 -.520E-01   0.869E-05 0.315E-04 -.150E-04
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.315E-01 0.613E+00 0.294E+00   -.211E-04 0.320E-04 -.466E-04
   0.236E+02 -.136E+02 0.940E+02   -.243E+02 0.140E+02 -.961E+02   0.636E+00 -.367E+00 0.205E+01   0.578E-05 -.600E-05 -.299E-04
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.229E+00 -.178E+00 -.338E-01   -.221E-04 0.194E-04 -.175E-04
   0.119E+01 -.122E+02 0.162E+02   -.119E+01 0.123E+02 -.161E+02   0.280E-02 -.218E-01 -.479E-01   0.335E-04 -.724E-06 -.704E-05
   -.414E+01 0.192E+01 0.116E+02   0.414E+01 -.193E+01 -.116E+02   -.255E-03 0.995E-02 -.439E-01   0.290E-04 -.793E-05 -.637E-05
   -.193E+02 0.111E+02 0.217E+02   0.193E+02 -.112E+02 -.217E+02   -.506E-01 0.292E-01 -.433E-01   -.242E-04 0.177E-04 0.755E-05
   -.373E+02 -.785E+01 0.478E+02   0.378E+02 0.813E+01 -.481E+02   -.546E+00 -.279E+00 0.294E+00   -.349E-04 0.154E-05 -.438E-04
   -.718E+01 -.303E+02 0.423E+02   0.736E+01 0.305E+02 -.422E+02   -.188E+00 -.198E+00 -.607E-01   0.675E-04 -.758E-04 -.274E-04
   -.285E+01 -.876E+01 0.194E+02   0.286E+01 0.877E+01 -.193E+02   -.182E-01 -.115E-01 -.272E-01   -.708E-04 -.370E-05 0.108E-04
   0.139E+01 -.801E+00 0.134E+02   -.139E+01 0.803E+00 -.134E+02   0.118E-03 -.683E-04 -.179E-01   0.305E-04 -.155E-04 0.118E-04
   -.374E+01 0.262E+01 0.116E+02   0.374E+01 -.262E+01 -.116E+02   -.874E-02 -.475E-02 -.439E-01   0.232E-04 -.163E-04 -.209E-05
   -.148E+02 -.169E+01 0.161E+02   0.148E+02 0.172E+01 -.161E+02   -.625E-01 -.348E-01 -.520E-01   -.210E-04 -.248E-04 -.813E-05
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.905E-01 -.496E-01 -.486E-01   0.454E-04 0.529E-04 -.307E-05
   0.285E+01 0.876E+01 0.194E+02   -.286E+01 -.877E+01 -.193E+02   0.182E-01 0.115E-01 -.272E-01   0.708E-04 0.370E-05 0.108E-04
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.905E-01 0.496E-01 -.486E-01   -.454E-04 -.529E-04 -.307E-05
   0.148E+02 0.169E+01 0.161E+02   -.148E+02 -.172E+01 -.161E+02   0.625E-01 0.348E-01 -.520E-01   0.210E-04 0.248E-04 -.813E-05
   0.374E+01 -.262E+01 0.116E+02   -.374E+01 0.262E+01 -.116E+02   0.874E-02 0.475E-02 -.439E-01   -.232E-04 0.163E-04 -.209E-05
   -.139E+01 0.801E+00 0.134E+02   0.139E+01 -.803E+00 -.134E+02   -.118E-03 0.683E-04 -.179E-01   -.305E-04 0.155E-04 0.118E-04
   -.119E+01 0.122E+02 0.162E+02   0.119E+01 -.123E+02 -.161E+02   -.280E-02 0.218E-01 -.479E-01   -.335E-04 0.723E-06 -.704E-05
   0.718E+01 0.303E+02 0.423E+02   -.736E+01 -.305E+02 -.422E+02   0.188E+00 0.198E+00 -.607E-01   -.675E-04 0.758E-04 -.274E-04
   0.373E+02 0.785E+01 0.478E+02   -.378E+02 -.813E+01 -.481E+02   0.546E+00 0.279E+00 0.294E+00   0.349E-04 -.154E-05 -.438E-04
   0.193E+02 -.111E+02 0.217E+02   -.193E+02 0.112E+02 -.217E+02   0.506E-01 -.292E-01 -.433E-01   0.242E-04 -.177E-04 0.755E-05
   0.414E+01 -.192E+01 0.116E+02   -.414E+01 0.193E+01 -.116E+02   0.255E-03 -.995E-02 -.439E-01   -.290E-04 0.793E-05 -.637E-05
   -.312E+01 0.364E+01 0.126E+02   0.314E+01 -.365E+01 -.126E+02   -.137E-01 0.900E-02 -.175E-01   0.318E-05 -.740E-05 -.269E-04
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.229E+00 0.178E+00 -.338E-01   0.221E-04 -.194E-04 -.175E-04
   -.236E+02 0.136E+02 0.940E+02   0.243E+02 -.140E+02 -.961E+02   -.636E+00 0.367E+00 0.205E+01   -.578E-05 0.600E-05 -.299E-04
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.315E-01 -.613E+00 0.294E+00   0.211E-04 -.320E-04 -.466E-04
   0.593E+01 -.136E+02 0.161E+02   -.593E+01 0.137E+02 -.161E+02   0.113E-02 -.715E-01 -.520E-01   -.869E-05 -.315E-04 -.150E-04
   -.645E+00 -.393E+01 0.126E+02   0.646E+00 0.393E+01 -.126E+02   0.308E-02 0.129E-03 -.130E-01   -.157E-04 0.673E-05 0.105E-05
   -.914E+01 0.527E+01 0.136E+02   0.918E+01 -.530E+01 -.136E+02   -.422E-01 0.244E-01 -.120E-01   0.353E-04 -.140E-04 0.907E-05
   -.268E+02 0.343E+01 0.256E+02   0.271E+02 -.355E+01 -.256E+02   -.269E+00 0.109E+00 -.338E-01   0.334E-04 -.362E-05 -.132E-04
   -.226E+02 -.214E+02 0.423E+02   0.227E+02 0.216E+02 -.422E+02   -.771E-01 -.262E+00 -.607E-01   -.939E-04 0.200E-04 -.257E-04
   -.242E+01 -.189E+02 0.240E+02   0.242E+01 0.190E+02 -.240E+02   0.234E-02 -.103E+00 -.486E-01   0.287E-04 0.668E-04 -.568E-05
   0.206E+01 -.119E+01 0.163E+02   -.206E+01 0.119E+01 -.162E+02   0.328E-02 -.189E-02 -.242E-01   -.297E-04 0.201E-04 0.170E-04
   0.308E+01 0.252E+01 0.126E+02   -.308E+01 -.252E+01 -.126E+02   0.143E-02 -.273E-02 -.130E-01   -.111E-04 0.181E-04 0.432E-05
   -.471E+01 0.883E+00 0.126E+02   0.473E+01 -.892E+00 -.126E+02   -.146E-01 0.735E-02 -.175E-01   0.106E-04 0.503E-05 -.194E-04
   -.112E+02 -.509E+01 0.162E+02   0.112E+02 0.510E+01 -.161E+02   -.202E-01 -.846E-02 -.479E-01   -.148E-04 0.264E-04 -.209E-05
   -.616E+01 -.684E+01 0.194E+02   0.616E+01 0.686E+01 -.193E+02   -.852E-03 -.215E-01 -.272E-01   0.348E-04 -.638E-04 0.114E-04
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.289E-03 0.101E+02   -.156E-12 0.000E+00 -.156E-12   0.122E-15 0.104E-16 -.100E+02   0.162E-08 -.949E-09 -.123E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85210      6.05884     12.26472         0.000000      0.000000      0.020913
      1.07497      6.50752     13.52423         0.001544     -0.000891      0.008861
      2.62924      5.61016     13.52423        -0.001544      0.000891      0.008861
      0.00015     -0.00009      9.91083        -0.002308      0.001333      0.000096
     -1.23474      2.13683      9.90949        -0.000390      0.001533      0.000035
     -2.46994      4.27634      9.92947        -0.002677      0.002281     -0.000395
     -3.70363      6.41501      9.93718        -0.002037      0.001461     -0.000907
     -4.93735      8.55321      9.92775        -0.004181      0.002123     -0.000504
      2.46916     -0.00006      9.92775        -0.003929      0.002559     -0.000504
      1.23392      2.13662      9.91902        -0.003403      0.001437     -0.001249
     -0.00265      4.27070      9.93153        -0.003685      0.003479     -0.002429
     -1.23832      6.41562      9.95363        -0.000245      0.001311     -0.001145
     -2.46890      8.55357      9.93905        -0.001116      0.000644      0.000608
      4.93776      0.00062      9.93718        -0.002284      0.001033     -0.000907
      3.70409      2.13669      9.94048        -0.001514     -0.000555     -0.001303
      2.46984      4.26841      9.96808        -0.003476      0.000973     -0.002420
      1.22909      6.41853      9.97431        -0.004668      0.002695      0.001491
     -0.00209      8.55683      9.95363        -0.001258     -0.000444     -0.001145
      7.40674      0.00155      9.92947        -0.003314      0.001178     -0.000395
      6.17243      2.13877      9.93580        -0.002976      0.001739     -0.000557
      4.93890      4.27668      9.94853         0.000509     -0.000294     -0.000056
      3.71153      6.41907      9.96808        -0.002580      0.002524     -0.002420
      2.47330      8.55917      9.93153        -0.004855      0.001452     -0.002429
      9.87722      0.00159      9.90949        -0.001523     -0.000429      0.000035
      8.64160      2.13892      9.92068        -0.003173      0.001832      0.000291
      7.40715      4.27736      9.93580        -0.002994      0.001708     -0.000557
      6.17478      6.41605      9.94048        -0.000276      0.001589     -0.001303
      4.93975      8.55531      9.91902        -0.002946      0.002228     -0.001249
     -0.00103      1.42455      9.90949         0.001523      0.000429      0.000035
     -1.23554      3.56237      9.91902         0.002946     -0.002228     -0.001249
     -2.47057      5.70163      9.94048         0.000276     -0.001589     -0.001303
     -3.70294      7.84031      9.93580         0.002994     -0.001708     -0.000557
     -4.93739      9.97875      9.92068         0.003173     -0.001832      0.000291
      2.46944      1.42459      9.92947         0.003314     -0.001178     -0.000395
      1.23091      3.55851      9.93153         0.004855     -0.001452     -0.002429
     -0.00732      5.69860      9.96808         0.002580     -0.002524     -0.002420
     -1.23469      7.84100      9.94853        -0.000509      0.000294     -0.000056
     -2.46822      9.97891      9.93580         0.002976     -0.001739     -0.000557
      4.93843      1.42552      9.93718         0.002284     -0.001033     -0.000907
      3.70630      3.56084      9.95363         0.001258      0.000444     -0.001145
      2.47512      5.69914      9.97431         0.004668     -0.002695      0.001491
      1.23436      7.84927      9.96808         0.003476     -0.000973     -0.002420
      0.00012      9.98099      9.94048         0.001514      0.000555     -0.001303
      7.40702      1.42619      9.92775         0.003929     -0.002559     -0.000504
      6.17311      3.56411      9.93905         0.001116     -0.000644      0.000608
      4.94253      5.70206      9.95363         0.000245     -0.001311     -0.001145
      3.70686      7.84697      9.93153         0.003685     -0.003479     -0.002429
      2.47029      9.98105      9.91902         0.003403     -0.001437     -0.001249
      9.87604      1.42622      9.91083         0.002308     -0.001333      0.000096
      8.64155      3.56446      9.92775         0.004181     -0.002123     -0.000504
      7.40784      5.70267      9.93718         0.002037     -0.001461     -0.000907
      6.17415      7.84133      9.92947         0.002677     -0.002281     -0.000395
      4.93895      9.98085      9.90949         0.000390     -0.001533      0.000035
 -----------------------------------------------------------------------------------
    total drift:                               -0.001802      0.000289      0.016489


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.94: CPU time    1.94
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.35
    ORTHCH:  VPU time  183.25: CPU time   91.76
     LOOP+:  VPU time 4889.60: CPU time 2513.03


----------------------------------------- Iteration   30(   1)  ---------------------------------------


    POTLOK:  VPU time    9.28: CPU time    9.09
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 1324.46: CPU time  684.35
 BZINTS: Fermi energy: -3.185178;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.78: CPU time   57.53
    MIXING:  VPU time    0.17: CPU time    0.17
    ------------------------------------------
      LOOP:  VPU time 1448.08: CPU time  751.50

 eigenvalue-minimisations  :  3776
 total energy-change (2. order) :-0.4717264E+03  (-0.1938391E-07)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583497 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.29438E-04    rms(broyden)= 0.29436E-04
  rms(prec ) = 0.33735E-04
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34105.75582348
  -1/2 Hartree   DENC   =    -40996.24933415
  -V(xc)+E(xc)   XCENC  =       726.60523889
  PAW double counting   =      4094.27509067    -4132.62290656
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.93018332
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641739 eV

  energy without entropy =     -471.72641739  energy(sigma->0) =     -471.72641739


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   30(   2)  ---------------------------------------


    POTLOK:  VPU time    9.08: CPU time    9.07
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1302.89: CPU time  675.32
 BZINTS: Fermi energy: -3.185310;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1312.37: CPU time  684.76

 eigenvalue-minimisations  :  3736
 total energy-change (2. order) :-0.4318827E-07  (-0.3166044E-08)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583497 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34105.75582348
  -1/2 Hartree   DENC   =    -40996.24547818
  -V(xc)+E(xc)   XCENC  =       726.60513730
  PAW double counting   =      4094.27332546    -4132.62115184
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.93392725
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641743 eV

  energy without entropy =     -471.72641743  energy(sigma->0) =     -471.72641743


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2179       2 -39.5362       3 -39.5363       4 -58.3138       5 -58.3178
       6 -58.3203       7 -58.3148       8 -58.3151       9 -58.3151      10 -58.3216
      11 -58.3878      12 -58.3517      13 -58.3231      14 -58.3148      15 -58.3247
      16 -58.5427      17 -58.7298      18 -58.3517      19 -58.3203      20 -58.3200
      21 -58.3578      22 -58.5427      23 -58.3878      24 -58.3178      25 -58.3230
      26 -58.3200      27 -58.3247      28 -58.3216      29 -58.3176      30 -58.3215
      31 -58.3245      32 -58.3199      33 -58.3229      34 -58.3202      35 -58.3877
      36 -58.5426      37 -58.3578      38 -58.3199      39 -58.3147      40 -58.3516
      41 -58.7297      42 -58.5426      43 -58.3246      44 -58.3150      45 -58.3230
      46 -58.3516      47 -58.3877      48 -58.3215      49 -58.3137      50 -58.3150
      51 -58.3147      52 -58.3202      53 -58.3177
 
 
 
 E-fermi :  -3.1853     XC(G=0):  -2.3435     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4276      1.00000
      2     -21.6043      1.00000
      3     -21.4826      1.00000
      4     -21.4735      1.00000
      5     -21.4419      1.00000
      6     -21.4412      1.00000
      7     -21.4310      1.00000
      8     -19.7085      1.00000
      9     -19.6536      1.00000
     10     -19.6303      1.00000
     11     -19.6192      1.00000
     12     -19.6140      1.00000
     13     -19.6129      1.00000
     14     -18.7906      1.00000
     15     -18.7555      1.00000
     16     -18.7356      1.00000
     17     -18.7261      1.00000
     18     -18.7190      1.00000
     19     -18.7137      1.00000
     20     -16.6354      1.00000
     21     -16.6095      1.00000
     22     -16.5851      1.00000
     23     -16.5817      1.00000
     24     -16.5547      1.00000
     25     -16.5530      1.00000
     26     -15.6154      1.00000
     27     -15.6027      1.00000
     28     -15.5994      1.00000
     29     -15.5653      1.00000
     30     -15.5635      1.00000
     31     -15.5626      1.00000
     32     -14.2603      1.00000
     33     -14.2510      1.00000
     34     -14.2411      1.00000
     35     -14.2361      1.00000
     36     -14.2228      1.00000
     37     -14.2200      1.00000
     38     -11.9060      1.00000
     39     -11.8791      1.00000
     40     -11.8679      1.00000
     41     -11.8658      1.00000
     42     -11.8450      1.00000
     43     -11.8449      1.00000
     44     -11.7715      1.00000
     45     -11.7688      1.00000
     46     -11.7361      1.00000
     47     -11.7295      1.00000
     48     -11.7253      1.00000
     49     -11.7228      1.00000
     50     -10.6766      1.00000
     51     -10.3890      1.00000
     52     -10.3840      1.00000
     53     -10.3770      1.00000
     54     -10.3692      1.00000
     55     -10.3560      1.00000
     56     -10.3538      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4060      1.00000
     60      -9.3629      1.00000
     61      -9.3623      1.00000
     62      -9.3545      1.00000
     63      -9.1425      1.00000
     64      -9.1219      1.00000
     65      -9.1212      1.00000
     66      -9.0849      1.00000
     67      -9.0719      1.00000
     68      -9.0713      1.00000
     69      -9.0711      1.00000
     70      -9.0642      1.00000
     71      -9.0642      1.00000
     72      -9.0385      1.00000
     73      -9.0289      1.00000
     74      -9.0257      1.00000
     75      -8.1301      1.00000
     76      -7.7457      1.00000
     77      -7.4687      1.00000
     78      -7.4666      1.00000
     79      -7.4538      1.00000
     80      -7.4342      1.00000
     81      -7.4247      1.00000
     82      -7.4066      1.00000
     83      -7.3130      1.00000
     84      -7.2712      1.00000
     85      -7.2576      1.00000
     86      -7.2491      1.00000
     87      -7.1507      1.00000
     88      -7.0494      1.00000
     89      -6.4463      1.00000
     90      -6.4161      1.00000
     91      -6.4005      1.00000
     92      -6.3638      1.00000
     93      -6.3530      1.00000
     94      -6.3407      1.00000
     95      -5.9584      1.00000
     96      -5.9581      1.00000
     97      -4.8064      1.00000
     98      -4.5444      1.00000
     99      -4.4814      1.00000
    100      -4.4744      1.00000
    101      -4.3822      1.00000
    102      -4.3817      1.00000
    103      -4.2678      1.00000
    104      -4.1872      1.00000
    105      -3.7392      1.00000
    106      -3.4775      1.00000
    107      -1.8619      0.00000
    108      -1.6706      0.00000
    109      -1.6241      0.00000
    110      -1.5913      0.00000
    111      -1.5758      0.00000
    112      -1.5749      0.00000
    113      -0.4288      0.00000
    114       0.1458      0.00000
    115       0.1921      0.00000
    116       0.2557      0.00000
    117       0.2675      0.00000
    118       0.2715      0.00000
    119       0.4771      0.00000
    120       0.5475      0.00000
    121       1.2474      0.00000
    122       1.2900      0.00000
    123       1.5354      0.00000
    124       1.7710      0.00000
    125       1.7738      0.00000
    126       1.7742      0.00000
    127       1.8009      0.00000
    128       1.8297      0.00000
    129       1.9587      0.00000
    130       1.9688      0.00000
    131       1.9746      0.00000
    132       1.9893      0.00000
    133       1.9965      0.00000
    134       2.0784      0.00000
    135       2.2494      0.00000
    136       2.3462      0.00000
    137       2.6086      0.00000
    138       2.6102      0.00000
    139       2.6370      0.00000
    140       2.7065      0.00000
    141       2.9352      0.00000
    142       3.0463      0.00000
    143       3.0651      0.00000
    144       3.0990      0.00000
    145       3.1011      0.00000
    146       3.1067      0.00000
    147       3.1085      0.00000
    148       3.2755      0.00000
    149       3.4528      0.00000
    150       3.5059      0.00000
    151       3.8218      0.00000
    152       3.9513      0.00000
    153       3.9555      0.00000
    154       3.9565      0.00000
    155       3.9602      0.00000
    156       3.9961      0.00000
    157       4.1879      0.00000
    158       4.2628      0.00000
    159       4.2786      0.00000
    160       4.2841      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8317      1.00000
      3     -21.6394      1.00000
      4     -21.6116      1.00000
      5     -21.2758      1.00000
      6     -21.2364      1.00000
      7     -21.0580      1.00000
      8     -20.1687      1.00000
      9     -20.1305      1.00000
     10     -19.6096      1.00000
     11     -19.5985      1.00000
     12     -19.4181      1.00000
     13     -19.0906      1.00000
     14     -19.0609      1.00000
     15     -19.0498      1.00000
     16     -19.0423      1.00000
     17     -18.3615      1.00000
     18     -18.3531      1.00000
     19     -18.0198      1.00000
     20     -17.0698      1.00000
     21     -17.0310      1.00000
     22     -16.9444      1.00000
     23     -16.9406      1.00000
     24     -16.4685      1.00000
     25     -16.4638      1.00000
     26     -15.6149      1.00000
     27     -15.6080      1.00000
     28     -15.2533      1.00000
     29     -15.2441      1.00000
     30     -15.1853      1.00000
     31     -15.0985      1.00000
     32     -15.0716      1.00000
     33     -14.6991      1.00000
     34     -14.6971      1.00000
     35     -13.7270      1.00000
     36     -13.7245      1.00000
     37     -13.2361      1.00000
     38     -12.6145      1.00000
     39     -12.5843      1.00000
     40     -12.4548      1.00000
     41     -12.4512      1.00000
     42     -12.1096      1.00000
     43     -12.1050      1.00000
     44     -11.7178      1.00000
     45     -11.6869      1.00000
     46     -11.2354      1.00000
     47     -11.2262      1.00000
     48     -11.0181      1.00000
     49     -11.0102      1.00000
     50     -10.9272      1.00000
     51     -10.9057      1.00000
     52     -10.6316      1.00000
     53     -10.1553      1.00000
     54     -10.1512      1.00000
     55     -10.0920      1.00000
     56      -9.9990      1.00000
     57      -9.7033      1.00000
     58      -9.6953      1.00000
     59      -9.6565      1.00000
     60      -9.5922      1.00000
     61      -9.5771      1.00000
     62      -9.5590      1.00000
     63      -9.3074      1.00000
     64      -9.3035      1.00000
     65      -9.2746      1.00000
     66      -9.2370      1.00000
     67      -9.1372      1.00000
     68      -9.1153      1.00000
     69      -9.1116      1.00000
     70      -8.9402      1.00000
     71      -8.8725      1.00000
     72      -8.6046      1.00000
     73      -8.5910      1.00000
     74      -8.2367      1.00000
     75      -8.1005      1.00000
     76      -7.9135      1.00000
     77      -7.8640      1.00000
     78      -7.7718      1.00000
     79      -7.7570      1.00000
     80      -7.6923      1.00000
     81      -7.5606      1.00000
     82      -7.3389      1.00000
     83      -7.3228      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0125      1.00000
     88      -6.7047      1.00000
     89      -6.6783      1.00000
     90      -6.6413      1.00000
     91      -6.5979      1.00000
     92      -6.1158      1.00000
     93      -6.0624      1.00000
     94      -6.0312      1.00000
     95      -6.0116      1.00000
     96      -5.7834      1.00000
     97      -4.9745      1.00000
     98      -4.8321      1.00000
     99      -4.7471      1.00000
    100      -4.6794      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1719      1.00000
    104      -4.1280      1.00000
    105      -3.7296      1.00000
    106      -3.4877      1.00000
    107      -1.8703      0.00000
    108      -1.8089      0.00000
    109      -1.5243      0.00000
    110      -1.3775      0.00000
    111      -1.3214      0.00000
    112      -1.2880      0.00000
    113      -0.7199      0.00000
    114      -0.3759      0.00000
    115      -0.2499      0.00000
    116       0.0370      0.00000
    117       0.5555      0.00000
    118       0.6984      0.00000
    119       0.7464      0.00000
    120       1.0479      0.00000
    121       1.1000      0.00000
    122       1.1496      0.00000
    123       1.2274      0.00000
    124       1.3774      0.00000
    125       1.5232      0.00000
    126       1.5819      0.00000
    127       1.7151      0.00000
    128       1.8149      0.00000
    129       1.8580      0.00000
    130       1.8817      0.00000
    131       2.0967      0.00000
    132       2.1863      0.00000
    133       2.2413      0.00000
    134       2.3059      0.00000
    135       2.5124      0.00000
    136       2.5877      0.00000
    137       2.6406      0.00000
    138       2.7780      0.00000
    139       2.7946      0.00000
    140       2.8261      0.00000
    141       2.8616      0.00000
    142       2.8993      0.00000
    143       2.9450      0.00000
    144       3.0794      0.00000
    145       3.1524      0.00000
    146       3.3198      0.00000
    147       3.3853      0.00000
    148       3.4317      0.00000
    149       3.4646      0.00000
    150       3.6151      0.00000
    151       3.6463      0.00000
    152       3.6659      0.00000
    153       3.7107      0.00000
    154       3.9089      0.00000
    155       3.9616      0.00000
    156       4.0164      0.00000
    157       4.0700      0.00000
    158       4.2345      0.00000
    159       4.2487      0.00000
    160       4.2783      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2849      1.00000
      2     -22.0792      1.00000
      3     -21.7179      1.00000
      4     -21.6860      1.00000
      5     -20.9806      1.00000
      6     -20.9400      1.00000
      7     -20.6129      1.00000
      8     -20.5763      1.00000
      9     -20.5700      1.00000
     10     -20.0336      1.00000
     11     -19.5044      1.00000
     12     -19.4926      1.00000
     13     -19.3078      1.00000
     14     -19.3026      1.00000
     15     -18.4485      1.00000
     16     -18.4118      1.00000
     17     -17.9230      1.00000
     18     -17.9137      1.00000
     19     -17.7623      1.00000
     20     -17.7266      1.00000
     21     -17.4365      1.00000
     22     -17.4292      1.00000
     23     -17.3415      1.00000
     24     -16.4634      1.00000
     25     -16.4623      1.00000
     26     -15.9677      1.00000
     27     -15.4150      1.00000
     28     -15.4096      1.00000
     29     -15.0973      1.00000
     30     -15.0938      1.00000
     31     -14.8555      1.00000
     32     -14.8478      1.00000
     33     -14.2907      1.00000
     34     -14.2579      1.00000
     35     -13.4370      1.00000
     36     -13.4045      1.00000
     37     -13.1779      1.00000
     38     -13.1746      1.00000
     39     -12.9826      1.00000
     40     -12.9776      1.00000
     41     -12.6134      1.00000
     42     -12.6103      1.00000
     43     -12.1981      1.00000
     44     -11.5771      1.00000
     45     -11.5433      1.00000
     46     -11.3112      1.00000
     47     -11.2884      1.00000
     48     -11.1422      1.00000
     49     -10.6767      1.00000
     50     -10.6606      1.00000
     51     -10.5536      1.00000
     52     -10.3237      1.00000
     53     -10.3181      1.00000
     54     -10.1699      1.00000
     55     -10.1156      1.00000
     56     -10.1129      1.00000
     57      -9.7987      1.00000
     58      -9.7651      1.00000
     59      -9.7523      1.00000
     60      -9.7003      1.00000
     61      -9.6972      1.00000
     62      -9.6626      1.00000
     63      -9.3545      1.00000
     64      -9.3518      1.00000
     65      -9.3158      1.00000
     66      -9.0414      1.00000
     67      -8.9623      1.00000
     68      -8.9499      1.00000
     69      -8.8000      1.00000
     70      -8.5951      1.00000
     71      -8.5581      1.00000
     72      -8.3988      1.00000
     73      -8.3653      1.00000
     74      -8.3247      1.00000
     75      -8.3072      1.00000
     76      -8.2590      1.00000
     77      -8.2573      1.00000
     78      -8.2365      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3865      1.00000
     83      -7.3494      1.00000
     84      -7.2309      1.00000
     85      -7.0967      1.00000
     86      -7.0390      1.00000
     87      -6.9342      1.00000
     88      -6.8483      1.00000
     89      -6.6127      1.00000
     90      -6.5587      1.00000
     91      -6.2698      1.00000
     92      -6.0439      1.00000
     93      -5.9517      1.00000
     94      -5.6628      1.00000
     95      -5.6227      1.00000
     96      -5.4633      1.00000
     97      -5.3201      1.00000
     98      -5.2789      1.00000
     99      -5.2139      1.00000
    100      -5.1939      1.00000
    101      -4.5084      1.00000
    102      -4.2076      1.00000
    103      -4.0593      1.00000
    104      -3.9892      1.00000
    105      -3.6943      1.00000
    106      -3.4980      1.00000
    107      -1.9462      0.00000
    108      -1.8963      0.00000
    109      -1.3390      0.00000
    110      -1.0848      0.00000
    111      -1.0581      0.00000
    112      -0.8002      0.00000
    113      -0.6775      0.00000
    114      -0.6468      0.00000
    115      -0.6072      0.00000
    116      -0.1080      0.00000
    117       0.2156      0.00000
    118       0.3292      0.00000
    119       0.6939      0.00000
    120       0.8874      0.00000
    121       1.1272      0.00000
    122       1.1992      0.00000
    123       1.3261      0.00000
    124       1.4203      0.00000
    125       1.5542      0.00000
    126       1.5763      0.00000
    127       1.6788      0.00000
    128       1.8080      0.00000
    129       1.8817      0.00000
    130       2.0548      0.00000
    131       2.1258      0.00000
    132       2.3277      0.00000
    133       2.3598      0.00000
    134       2.3951      0.00000
    135       2.5449      0.00000
    136       2.6301      0.00000
    137       2.7289      0.00000
    138       2.7596      0.00000
    139       2.8269      0.00000
    140       2.8791      0.00000
    141       3.0454      0.00000
    142       3.0551      0.00000
    143       3.1620      0.00000
    144       3.2637      0.00000
    145       3.3613      0.00000
    146       3.4157      0.00000
    147       3.4333      0.00000
    148       3.5644      0.00000
    149       3.5812      0.00000
    150       3.5981      0.00000
    151       3.6598      0.00000
    152       3.6756      0.00000
    153       3.7803      0.00000
    154       3.8001      0.00000
    155       3.8090      0.00000
    156       3.8953      0.00000
    157       3.9207      0.00000
    158       3.9969      0.00000
    159       4.2132      0.00000
    160       4.2275      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3188      1.00000
      2     -21.9641      1.00000
      3     -21.8949      1.00000
      4     -21.3821      1.00000
      5     -21.3529      1.00000
      6     -20.8408      1.00000
      7     -20.7755      1.00000
      8     -20.6252      1.00000
      9     -20.0787      1.00000
     10     -20.0730      1.00000
     11     -19.7178      1.00000
     12     -19.6933      1.00000
     13     -18.9974      1.00000
     14     -18.9915      1.00000
     15     -18.6416      1.00000
     16     -18.6256      1.00000
     17     -18.4630      1.00000
     18     -17.6760      1.00000
     19     -17.6256      1.00000
     20     -17.6228      1.00000
     21     -17.5809      1.00000
     22     -17.1273      1.00000
     23     -17.1058      1.00000
     24     -16.9626      1.00000
     25     -16.0023      1.00000
     26     -15.9304      1.00000
     27     -15.5864      1.00000
     28     -15.5861      1.00000
     29     -15.2875      1.00000
     30     -14.8647      1.00000
     31     -14.8375      1.00000
     32     -14.5794      1.00000
     33     -14.5376      1.00000
     34     -14.1693      1.00000
     35     -14.1558      1.00000
     36     -13.1484      1.00000
     37     -13.1012      1.00000
     38     -13.0301      1.00000
     39     -13.0199      1.00000
     40     -12.7094      1.00000
     41     -12.7053      1.00000
     42     -12.3422      1.00000
     43     -12.3110      1.00000
     44     -11.6365      1.00000
     45     -11.6228      1.00000
     46     -11.5727      1.00000
     47     -10.9500      1.00000
     48     -10.9170      1.00000
     49     -10.6329      1.00000
     50     -10.6248      1.00000
     51     -10.5479      1.00000
     52     -10.5002      1.00000
     53     -10.4999      1.00000
     54     -10.4398      1.00000
     55     -10.3607      1.00000
     56     -10.1001      1.00000
     57      -9.9042      1.00000
     58      -9.6087      1.00000
     59      -9.5564      1.00000
     60      -9.4529      1.00000
     61      -9.4125      1.00000
     62      -9.4056      1.00000
     63      -9.3775      1.00000
     64      -9.3772      1.00000
     65      -9.2879      1.00000
     66      -9.1690      1.00000
     67      -9.1435      1.00000
     68      -9.1151      1.00000
     69      -8.8651      1.00000
     70      -8.8576      1.00000
     71      -8.8157      1.00000
     72      -8.5975      1.00000
     73      -8.4805      1.00000
     74      -8.1991      1.00000
     75      -8.1636      1.00000
     76      -8.0092      1.00000
     77      -7.9640      1.00000
     78      -7.8506      1.00000
     79      -7.8405      1.00000
     80      -7.7043      1.00000
     81      -7.6970      1.00000
     82      -7.6224      1.00000
     83      -7.4490      1.00000
     84      -7.3009      1.00000
     85      -7.2532      1.00000
     86      -6.9065      1.00000
     87      -6.8927      1.00000
     88      -6.5890      1.00000
     89      -6.5515      1.00000
     90      -6.4062      1.00000
     91      -6.2537      1.00000
     92      -6.2329      1.00000
     93      -6.2055      1.00000
     94      -6.0232      1.00000
     95      -5.5501      1.00000
     96      -5.4890      1.00000
     97      -5.3505      1.00000
     98      -5.2198      1.00000
     99      -4.9795      1.00000
    100      -4.7326      1.00000
    101      -4.6781      1.00000
    102      -4.3875      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5464      1.00000
    106      -3.5100      1.00000
    107      -2.2563      0.00000
    108      -1.4565      0.00000
    109      -1.3712      0.00000
    110      -1.2417      0.00000
    111      -1.0979      0.00000
    112      -0.9450      0.00000
    113      -0.8636      0.00000
    114      -0.8032      0.00000
    115      -0.1393      0.00000
    116       0.1111      0.00000
    117       0.2408      0.00000
    118       0.3777      0.00000
    119       0.6514      0.00000
    120       0.8359      0.00000
    121       0.9366      0.00000
    122       1.0636      0.00000
    123       1.2330      0.00000
    124       1.4477      0.00000
    125       1.5497      0.00000
    126       1.7664      0.00000
    127       1.7931      0.00000
    128       1.8736      0.00000
    129       1.9685      0.00000
    130       2.0451      0.00000
    131       2.1752      0.00000
    132       2.1947      0.00000
    133       2.4099      0.00000
    134       2.4611      0.00000
    135       2.5312      0.00000
    136       2.6043      0.00000
    137       2.6383      0.00000
    138       2.6953      0.00000
    139       2.7741      0.00000
    140       2.8333      0.00000
    141       2.9483      0.00000
    142       3.0803      0.00000
    143       3.2006      0.00000
    144       3.2112      0.00000
    145       3.2592      0.00000
    146       3.3232      0.00000
    147       3.3262      0.00000
    148       3.4670      0.00000
    149       3.4987      0.00000
    150       3.6988      0.00000
    151       3.7112      0.00000
    152       3.7287      0.00000
    153       3.8574      0.00000
    154       3.9146      0.00000
    155       3.9432      0.00000
    156       3.9801      0.00000
    157       4.0151      0.00000
    158       4.0340      0.00000
    159       4.0482      0.00000
    160       4.0646      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2118      1.00000
      2     -22.1189      1.00000
      3     -21.9581      1.00000
      4     -21.4057      1.00000
      5     -21.0510      1.00000
      6     -21.0151      1.00000
      7     -20.5018      1.00000
      8     -20.4624      1.00000
      9     -20.2961      1.00000
     10     -20.2767      1.00000
     11     -19.9587      1.00000
     12     -19.8929      1.00000
     13     -18.8835      1.00000
     14     -18.8148      1.00000
     15     -18.3538      1.00000
     16     -18.3075      1.00000
     17     -18.1539      1.00000
     18     -18.1368      1.00000
     19     -17.8276      1.00000
     20     -17.7900      1.00000
     21     -17.2525      1.00000
     22     -17.2425      1.00000
     23     -17.1654      1.00000
     24     -17.1337      1.00000
     25     -16.1109      1.00000
     26     -15.8865      1.00000
     27     -15.8711      1.00000
     28     -15.8349      1.00000
     29     -15.2371      1.00000
     30     -14.5559      1.00000
     31     -14.5280      1.00000
     32     -14.2808      1.00000
     33     -13.9644      1.00000
     34     -13.9569      1.00000
     35     -13.8208      1.00000
     36     -13.8050      1.00000
     37     -13.6153      1.00000
     38     -13.5715      1.00000
     39     -13.3710      1.00000
     40     -12.6354      1.00000
     41     -12.1816      1.00000
     42     -12.1335      1.00000
     43     -12.0729      1.00000
     44     -12.0207      1.00000
     45     -11.6701      1.00000
     46     -11.6566      1.00000
     47     -11.1394      1.00000
     48     -11.1189      1.00000
     49     -10.7954      1.00000
     50     -10.7318      1.00000
     51     -10.5294      1.00000
     52     -10.2091      1.00000
     53     -10.2063      1.00000
     54     -10.1654      1.00000
     55     -10.0183      1.00000
     56     -10.0048      1.00000
     57      -9.9912      1.00000
     58      -9.8018      1.00000
     59      -9.7980      1.00000
     60      -9.7627      1.00000
     61      -9.7579      1.00000
     62      -9.4552      1.00000
     63      -9.4180      1.00000
     64      -9.0810      1.00000
     65      -9.0728      1.00000
     66      -9.0412      1.00000
     67      -8.9558      1.00000
     68      -8.8778      1.00000
     69      -8.7126      1.00000
     70      -8.7002      1.00000
     71      -8.5663      1.00000
     72      -8.5435      1.00000
     73      -8.4997      1.00000
     74      -8.4630      1.00000
     75      -8.4538      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0438      1.00000
     79      -7.9160      1.00000
     80      -7.8635      1.00000
     81      -7.6151      1.00000
     82      -7.5488      1.00000
     83      -7.4901      1.00000
     84      -7.2680      1.00000
     85      -6.9954      1.00000
     86      -6.9232      1.00000
     87      -6.8822      1.00000
     88      -6.5327      1.00000
     89      -6.4873      1.00000
     90      -6.4614      1.00000
     91      -6.4104      1.00000
     92      -5.9840      1.00000
     93      -5.8976      1.00000
     94      -5.7847      1.00000
     95      -5.7597      1.00000
     96      -5.4322      1.00000
     97      -5.3294      1.00000
     98      -5.2303      1.00000
     99      -5.2178      1.00000
    100      -5.1885      1.00000
    101      -4.6922      1.00000
    102      -4.4215      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5291      1.00000
    106      -3.2742      1.00000
    107      -2.5311      0.00000
    108      -1.4580      0.00000
    109      -1.2666      0.00000
    110      -1.2029      0.00000
    111      -1.1725      0.00000
    112      -0.7196      0.00000
    113      -0.5034      0.00000
    114      -0.4119      0.00000
    115      -0.3395      0.00000
    116      -0.1459      0.00000
    117      -0.0027      0.00000
    118       0.1939      0.00000
    119       0.5613      0.00000
    120       0.6126      0.00000
    121       0.7960      0.00000
    122       0.9066      0.00000
    123       1.1322      0.00000
    124       1.4929      0.00000
    125       1.6344      0.00000
    126       1.8517      0.00000
    127       1.9264      0.00000
    128       2.1048      0.00000
    129       2.1150      0.00000
    130       2.1542      0.00000
    131       2.1884      0.00000
    132       2.2799      0.00000
    133       2.3404      0.00000
    134       2.4702      0.00000
    135       2.5813      0.00000
    136       2.6568      0.00000
    137       2.8540      0.00000
    138       2.8714      0.00000
    139       2.8932      0.00000
    140       3.0115      0.00000
    141       3.0211      0.00000
    142       3.1397      0.00000
    143       3.1830      0.00000
    144       3.2306      0.00000
    145       3.2725      0.00000
    146       3.2840      0.00000
    147       3.3002      0.00000
    148       3.3463      0.00000
    149       3.4237      0.00000
    150       3.4480      0.00000
    151       3.5542      0.00000
    152       3.6240      0.00000
    153       3.7093      0.00000
    154       3.7323      0.00000
    155       3.7724      0.00000
    156       3.8946      0.00000
    157       3.9391      0.00000
    158       4.0041      0.00000
    159       4.1304      0.00000
    160       4.2226      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3187      1.00000
      2     -21.9656      1.00000
      3     -21.8935      1.00000
      4     -21.3858      1.00000
      5     -21.3494      1.00000
      6     -20.8406      1.00000
      7     -20.7742      1.00000
      8     -20.6262      1.00000
      9     -20.0906      1.00000
     10     -20.0619      1.00000
     11     -19.7195      1.00000
     12     -19.6907      1.00000
     13     -19.0108      1.00000
     14     -18.9797      1.00000
     15     -18.6507      1.00000
     16     -18.6179      1.00000
     17     -18.4616      1.00000
     18     -17.6612      1.00000
     19     -17.6476      1.00000
     20     -17.6114      1.00000
     21     -17.5788      1.00000
     22     -17.1380      1.00000
     23     -17.0980      1.00000
     24     -16.9663      1.00000
     25     -16.0087      1.00000
     26     -15.9239      1.00000
     27     -15.5997      1.00000
     28     -15.5762      1.00000
     29     -15.2803      1.00000
     30     -14.8774      1.00000
     31     -14.8304      1.00000
     32     -14.5753      1.00000
     33     -14.5375      1.00000
     34     -14.1643      1.00000
     35     -14.1603      1.00000
     36     -13.1626      1.00000
     37     -13.0968      1.00000
     38     -13.0237      1.00000
     39     -13.0189      1.00000
     40     -12.7184      1.00000
     41     -12.6952      1.00000
     42     -12.3414      1.00000
     43     -12.3142      1.00000
     44     -11.6318      1.00000
     45     -11.6226      1.00000
     46     -11.5706      1.00000
     47     -10.9411      1.00000
     48     -10.9233      1.00000
     49     -10.6694      1.00000
     50     -10.5901      1.00000
     51     -10.5735      1.00000
     52     -10.5011      1.00000
     53     -10.4897      1.00000
     54     -10.4393      1.00000
     55     -10.3568      1.00000
     56     -10.1044      1.00000
     57      -9.8984      1.00000
     58      -9.6092      1.00000
     59      -9.5519      1.00000
     60      -9.4548      1.00000
     61      -9.4181      1.00000
     62      -9.4099      1.00000
     63      -9.3799      1.00000
     64      -9.3727      1.00000
     65      -9.2681      1.00000
     66      -9.1652      1.00000
     67      -9.1412      1.00000
     68      -9.1159      1.00000
     69      -8.8663      1.00000
     70      -8.8602      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1932      1.00000
     75      -8.1706      1.00000
     76      -8.0761      1.00000
     77      -7.8580      1.00000
     78      -7.8371      1.00000
     79      -7.8242      1.00000
     80      -7.7105      1.00000
     81      -7.6961      1.00000
     82      -7.5977      1.00000
     83      -7.5301      1.00000
     84      -7.3506      1.00000
     85      -7.1679      1.00000
     86      -6.9051      1.00000
     87      -6.8959      1.00000
     88      -6.5928      1.00000
     89      -6.5516      1.00000
     90      -6.4062      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2009      1.00000
     94      -6.0041      1.00000
     95      -5.5319      1.00000
     96      -5.4654      1.00000
     97      -5.3142      1.00000
     98      -5.2096      1.00000
     99      -5.0470      1.00000
    100      -4.7236      1.00000
    101      -4.6716      1.00000
    102      -4.4239      1.00000
    103      -4.1947      1.00000
    104      -3.8428      1.00000
    105      -3.6345      1.00000
    106      -3.4162      1.00000
    107      -2.2925      0.00000
    108      -1.5093      0.00000
    109      -1.2699      0.00000
    110      -1.2623      0.00000
    111      -1.0343      0.00000
    112      -0.9778      0.00000
    113      -0.8680      0.00000
    114      -0.7998      0.00000
    115      -0.2616      0.00000
    116       0.2044      0.00000
    117       0.2396      0.00000
    118       0.3600      0.00000
    119       0.6906      0.00000
    120       0.8942      0.00000
    121       0.9239      0.00000
    122       1.0403      0.00000
    123       1.1667      0.00000
    124       1.5094      0.00000
    125       1.5587      0.00000
    126       1.7101      0.00000
    127       1.7788      0.00000
    128       1.8336      0.00000
    129       1.9638      0.00000
    130       1.9841      0.00000
    131       2.1852      0.00000
    132       2.2607      0.00000
    133       2.4145      0.00000
    134       2.4690      0.00000
    135       2.5288      0.00000
    136       2.6006      0.00000
    137       2.6188      0.00000
    138       2.6987      0.00000
    139       2.7541      0.00000
    140       2.8622      0.00000
    141       3.0354      0.00000
    142       3.0786      0.00000
    143       3.1894      0.00000
    144       3.2455      0.00000
    145       3.2601      0.00000
    146       3.2979      0.00000
    147       3.3505      0.00000
    148       3.4518      0.00000
    149       3.5197      0.00000
    150       3.6918      0.00000
    151       3.7172      0.00000
    152       3.7521      0.00000
    153       3.8311      0.00000
    154       3.8906      0.00000
    155       3.9304      0.00000
    156       3.9778      0.00000
    157       4.0082      0.00000
    158       4.0432      0.00000
    159       4.0455      0.00000
    160       4.0849      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3908      1.00000
      2     -21.8320      1.00000
      3     -21.6426      1.00000
      4     -21.6076      1.00000
      5     -21.2800      1.00000
      6     -21.2329      1.00000
      7     -21.0576      1.00000
      8     -20.1725      1.00000
      9     -20.1264      1.00000
     10     -19.6179      1.00000
     11     -19.5917      1.00000
     12     -19.4166      1.00000
     13     -19.0955      1.00000
     14     -19.0569      1.00000
     15     -19.0524      1.00000
     16     -19.0397      1.00000
     17     -18.3676      1.00000
     18     -18.3478      1.00000
     19     -18.0175      1.00000
     20     -17.0730      1.00000
     21     -17.0242      1.00000
     22     -16.9503      1.00000
     23     -16.9364      1.00000
     24     -16.4753      1.00000
     25     -16.4633      1.00000
     26     -15.6101      1.00000
     27     -15.6096      1.00000
     28     -15.2504      1.00000
     29     -15.2383      1.00000
     30     -15.1923      1.00000
     31     -15.1022      1.00000
     32     -15.0692      1.00000
     33     -14.6988      1.00000
     34     -14.6978      1.00000
     35     -13.7253      1.00000
     36     -13.7253      1.00000
     37     -13.2359      1.00000
     38     -12.6246      1.00000
     39     -12.5805      1.00000
     40     -12.4555      1.00000
     41     -12.4501      1.00000
     42     -12.1053      1.00000
     43     -12.1003      1.00000
     44     -11.7218      1.00000
     45     -11.6832      1.00000
     46     -11.2455      1.00000
     47     -11.2249      1.00000
     48     -11.0182      1.00000
     49     -11.0065      1.00000
     50     -10.9280      1.00000
     51     -10.8994      1.00000
     52     -10.6376      1.00000
     53     -10.1729      1.00000
     54     -10.1499      1.00000
     55     -10.0852      1.00000
     56      -9.9926      1.00000
     57      -9.6966      1.00000
     58      -9.6900      1.00000
     59      -9.6709      1.00000
     60      -9.5914      1.00000
     61      -9.5674      1.00000
     62      -9.5542      1.00000
     63      -9.3132      1.00000
     64      -9.3005      1.00000
     65      -9.2837      1.00000
     66      -9.2430      1.00000
     67      -9.1227      1.00000
     68      -9.1129      1.00000
     69      -9.1113      1.00000
     70      -8.9400      1.00000
     71      -8.8752      1.00000
     72      -8.6048      1.00000
     73      -8.5861      1.00000
     74      -8.2712      1.00000
     75      -8.1016      1.00000
     76      -7.8675      1.00000
     77      -7.8439      1.00000
     78      -7.7907      1.00000
     79      -7.7649      1.00000
     80      -7.7559      1.00000
     81      -7.4473      1.00000
     82      -7.3349      1.00000
     83      -7.3234      1.00000
     84      -7.2664      1.00000
     85      -7.1628      1.00000
     86      -7.0148      1.00000
     87      -6.9867      1.00000
     88      -6.7179      1.00000
     89      -6.6908      1.00000
     90      -6.6319      1.00000
     91      -6.5907      1.00000
     92      -6.1178      1.00000
     93      -6.0589      1.00000
     94      -6.0448      1.00000
     95      -6.0285      1.00000
     96      -5.7481      1.00000
     97      -4.9747      1.00000
     98      -4.8396      1.00000
     99      -4.7091      1.00000
    100      -4.6735      1.00000
    101      -4.4836      1.00000
    102      -4.3522      1.00000
    103      -4.1119      1.00000
    104      -4.0555      1.00000
    105      -3.7550      1.00000
    106      -3.4654      1.00000
    107      -1.9506      0.00000
    108      -1.7711      0.00000
    109      -1.4798      0.00000
    110      -1.3555      0.00000
    111      -1.3359      0.00000
    112      -1.2926      0.00000
    113      -0.6785      0.00000
    114      -0.4719      0.00000
    115      -0.2354      0.00000
    116       0.0516      0.00000
    117       0.5872      0.00000
    118       0.6925      0.00000
    119       0.7701      0.00000
    120       1.0228      0.00000
    121       1.0970      0.00000
    122       1.1766      0.00000
    123       1.2500      0.00000
    124       1.3344      0.00000
    125       1.4330      0.00000
    126       1.5980      0.00000
    127       1.7638      0.00000
    128       1.8426      0.00000
    129       1.8603      0.00000
    130       1.8874      0.00000
    131       2.0463      0.00000
    132       2.2171      0.00000
    133       2.2317      0.00000
    134       2.2850      0.00000
    135       2.4793      0.00000
    136       2.6157      0.00000
    137       2.6434      0.00000
    138       2.7514      0.00000
    139       2.7921      0.00000
    140       2.8363      0.00000
    141       2.8474      0.00000
    142       2.8734      0.00000
    143       2.9481      0.00000
    144       3.0836      0.00000
    145       3.3162      0.00000
    146       3.3558      0.00000
    147       3.4076      0.00000
    148       3.4195      0.00000
    149       3.4207      0.00000
    150       3.5984      0.00000
    151       3.6505      0.00000
    152       3.6725      0.00000
    153       3.7285      0.00000
    154       3.8937      0.00000
    155       3.9251      0.00000
    156       3.9565      0.00000
    157       4.1103      0.00000
    158       4.2064      0.00000
    159       4.2511      0.00000
    160       4.2821      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2109      1.00000
      2     -22.1202      1.00000
      3     -21.9578      1.00000
      4     -21.4057      1.00000
      5     -21.0472      1.00000
      6     -21.0189      1.00000
      7     -20.4970      1.00000
      8     -20.4671      1.00000
      9     -20.2873      1.00000
     10     -20.2853      1.00000
     11     -19.9576      1.00000
     12     -19.8945      1.00000
     13     -18.8841      1.00000
     14     -18.8166      1.00000
     15     -18.3385      1.00000
     16     -18.3195      1.00000
     17     -18.1498      1.00000
     18     -18.1423      1.00000
     19     -17.8165      1.00000
     20     -17.7985      1.00000
     21     -17.2586      1.00000
     22     -17.2391      1.00000
     23     -17.1608      1.00000
     24     -17.1360      1.00000
     25     -16.1174      1.00000
     26     -15.8811      1.00000
     27     -15.8701      1.00000
     28     -15.8409      1.00000
     29     -15.2313      1.00000
     30     -14.5513      1.00000
     31     -14.5329      1.00000
     32     -14.2760      1.00000
     33     -13.9755      1.00000
     34     -13.9519      1.00000
     35     -13.8253      1.00000
     36     -13.8029      1.00000
     37     -13.6044      1.00000
     38     -13.5791      1.00000
     39     -13.3712      1.00000
     40     -12.6396      1.00000
     41     -12.1691      1.00000
     42     -12.1427      1.00000
     43     -12.0685      1.00000
     44     -12.0216      1.00000
     45     -11.6654      1.00000
     46     -11.6607      1.00000
     47     -11.1368      1.00000
     48     -11.1258      1.00000
     49     -10.7905      1.00000
     50     -10.7344      1.00000
     51     -10.5361      1.00000
     52     -10.2089      1.00000
     53     -10.2027      1.00000
     54     -10.1711      1.00000
     55     -10.0232      1.00000
     56      -9.9948      1.00000
     57      -9.9906      1.00000
     58      -9.8055      1.00000
     59      -9.7965      1.00000
     60      -9.7648      1.00000
     61      -9.7569      1.00000
     62      -9.4544      1.00000
     63      -9.4178      1.00000
     64      -9.0852      1.00000
     65      -9.0463      1.00000
     66      -9.0260      1.00000
     67      -8.9697      1.00000
     68      -8.8982      1.00000
     69      -8.7085      1.00000
     70      -8.6993      1.00000
     71      -8.5599      1.00000
     72      -8.5492      1.00000
     73      -8.4781      1.00000
     74      -8.4598      1.00000
     75      -8.4571      1.00000
     76      -8.3087      1.00000
     77      -8.0954      1.00000
     78      -8.0896      1.00000
     79      -7.9268      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5368      1.00000
     83      -7.4437      1.00000
     84      -7.3142      1.00000
     85      -6.9941      1.00000
     86      -6.9194      1.00000
     87      -6.8824      1.00000
     88      -6.5276      1.00000
     89      -6.5149      1.00000
     90      -6.4808      1.00000
     91      -6.4207      1.00000
     92      -5.9273      1.00000
     93      -5.9054      1.00000
     94      -5.7889      1.00000
     95      -5.7750      1.00000
     96      -5.3695      1.00000
     97      -5.3632      1.00000
     98      -5.2204      1.00000
     99      -5.2155      1.00000
    100      -5.1989      1.00000
    101      -4.7204      1.00000
    102      -4.4423      1.00000
    103      -4.1909      1.00000
    104      -3.8204      1.00000
    105      -3.5654      1.00000
    106      -3.2215      1.00000
    107      -2.5625      0.00000
    108      -1.4631      0.00000
    109      -1.2673      0.00000
    110      -1.1851      0.00000
    111      -1.1837      0.00000
    112      -0.6447      0.00000
    113      -0.5513      0.00000
    114      -0.4147      0.00000
    115      -0.3473      0.00000
    116      -0.0776      0.00000
    117      -0.0633      0.00000
    118       0.1260      0.00000
    119       0.5932      0.00000
    120       0.6265      0.00000
    121       0.8548      0.00000
    122       0.9853      0.00000
    123       1.0032      0.00000
    124       1.4939      0.00000
    125       1.6834      0.00000
    126       1.7639      0.00000
    127       1.8597      0.00000
    128       2.1121      0.00000
    129       2.1472      0.00000
    130       2.1909      0.00000
    131       2.2103      0.00000
    132       2.2573      0.00000
    133       2.3555      0.00000
    134       2.4938      0.00000
    135       2.5131      0.00000
    136       2.6638      0.00000
    137       2.8526      0.00000
    138       2.8593      0.00000
    139       2.9530      0.00000
    140       2.9984      0.00000
    141       3.0359      0.00000
    142       3.1350      0.00000
    143       3.1958      0.00000
    144       3.2448      0.00000
    145       3.2473      0.00000
    146       3.2795      0.00000
    147       3.3031      0.00000
    148       3.3545      0.00000
    149       3.4226      0.00000
    150       3.5505      0.00000
    151       3.5660      0.00000
    152       3.6465      0.00000
    153       3.6637      0.00000
    154       3.7050      0.00000
    155       3.7307      0.00000
    156       3.8967      0.00000
    157       3.9591      0.00000
    158       4.0356      0.00000
    159       4.0752      0.00000
    160       4.1838      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2845      1.00000
      2     -22.0798      1.00000
      3     -21.7214      1.00000
      4     -21.6822      1.00000
      5     -20.9839      1.00000
      6     -20.9361      1.00000
      7     -20.6124      1.00000
      8     -20.5802      1.00000
      9     -20.5667      1.00000
     10     -20.0333      1.00000
     11     -19.5143      1.00000
     12     -19.4842      1.00000
     13     -19.3122      1.00000
     14     -19.2992      1.00000
     15     -18.4505      1.00000
     16     -18.4074      1.00000
     17     -17.9283      1.00000
     18     -17.9079      1.00000
     19     -17.7667      1.00000
     20     -17.7218      1.00000
     21     -17.4423      1.00000
     22     -17.4238      1.00000
     23     -17.3388      1.00000
     24     -16.4714      1.00000
     25     -16.4611      1.00000
     26     -15.9713      1.00000
     27     -15.4115      1.00000
     28     -15.4105      1.00000
     29     -15.0964      1.00000
     30     -15.0934      1.00000
     31     -14.8535      1.00000
     32     -14.8412      1.00000
     33     -14.2984      1.00000
     34     -14.2547      1.00000
     35     -13.4448      1.00000
     36     -13.4009      1.00000
     37     -13.1754      1.00000
     38     -13.1740      1.00000
     39     -12.9864      1.00000
     40     -12.9775      1.00000
     41     -12.6110      1.00000
     42     -12.6089      1.00000
     43     -12.1973      1.00000
     44     -11.5798      1.00000
     45     -11.5386      1.00000
     46     -11.3137      1.00000
     47     -11.2834      1.00000
     48     -11.1425      1.00000
     49     -10.6926      1.00000
     50     -10.6632      1.00000
     51     -10.5475      1.00000
     52     -10.3228      1.00000
     53     -10.3150      1.00000
     54     -10.1762      1.00000
     55     -10.1214      1.00000
     56     -10.1081      1.00000
     57      -9.8119      1.00000
     58      -9.7529      1.00000
     59      -9.7525      1.00000
     60      -9.7026      1.00000
     61      -9.6987      1.00000
     62      -9.6473      1.00000
     63      -9.3530      1.00000
     64      -9.3515      1.00000
     65      -9.3179      1.00000
     66      -9.0282      1.00000
     67      -8.9618      1.00000
     68      -8.9580      1.00000
     69      -8.7758      1.00000
     70      -8.5916      1.00000
     71      -8.5886      1.00000
     72      -8.4240      1.00000
     73      -8.3499      1.00000
     74      -8.3225      1.00000
     75      -8.3023      1.00000
     76      -8.2658      1.00000
     77      -8.2541      1.00000
     78      -8.2394      1.00000
     79      -7.9216      1.00000
     80      -7.7341      1.00000
     81      -7.3798      1.00000
     82      -7.3503      1.00000
     83      -7.3236      1.00000
     84      -7.2175      1.00000
     85      -7.1605      1.00000
     86      -7.0654      1.00000
     87      -6.9610      1.00000
     88      -6.9054      1.00000
     89      -6.6133      1.00000
     90      -6.5568      1.00000
     91      -6.2709      1.00000
     92      -5.9967      1.00000
     93      -5.9595      1.00000
     94      -5.6753      1.00000
     95      -5.6487      1.00000
     96      -5.3875      1.00000
     97      -5.3151      1.00000
     98      -5.2940      1.00000
     99      -5.2121      1.00000
    100      -5.2004      1.00000
    101      -4.5115      1.00000
    102      -4.3387      1.00000
    103      -3.9965      1.00000
    104      -3.8859      1.00000
    105      -3.7929      1.00000
    106      -3.4433      1.00000
    107      -2.0345      0.00000
    108      -1.8633      0.00000
    109      -1.2176      0.00000
    110      -1.1841      0.00000
    111      -1.0358      0.00000
    112      -0.7722      0.00000
    113      -0.6772      0.00000
    114      -0.6599      0.00000
    115      -0.6096      0.00000
    116      -0.1017      0.00000
    117       0.2226      0.00000
    118       0.2397      0.00000
    119       0.7693      0.00000
    120       0.9836      0.00000
    121       1.0739      0.00000
    122       1.2414      0.00000
    123       1.2511      0.00000
    124       1.3407      0.00000
    125       1.5780      0.00000
    126       1.5852      0.00000
    127       1.7008      0.00000
    128       1.7974      0.00000
    129       1.9456      0.00000
    130       1.9601      0.00000
    131       2.0864      0.00000
    132       2.2963      0.00000
    133       2.3423      0.00000
    134       2.4156      0.00000
    135       2.5426      0.00000
    136       2.6280      0.00000
    137       2.7686      0.00000
    138       2.8295      0.00000
    139       2.8427      0.00000
    140       2.8640      0.00000
    141       3.0423      0.00000
    142       3.0993      0.00000
    143       3.1513      0.00000
    144       3.2201      0.00000
    145       3.3758      0.00000
    146       3.4147      0.00000
    147       3.5019      0.00000
    148       3.5456      0.00000
    149       3.5909      0.00000
    150       3.6080      0.00000
    151       3.6475      0.00000
    152       3.7346      0.00000
    153       3.7447      0.00000
    154       3.7764      0.00000
    155       3.8183      0.00000
    156       3.8790      0.00000
    157       4.0245      0.00000
    158       4.0855      0.00000
    159       4.1673      0.00000
    160       4.2105      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4276      1.00000
      2     -21.6043      1.00000
      3     -21.4826      1.00000
      4     -21.4735      1.00000
      5     -21.4419      1.00000
      6     -21.4412      1.00000
      7     -21.4310      1.00000
      8     -19.7085      1.00000
      9     -19.6536      1.00000
     10     -19.6303      1.00000
     11     -19.6192      1.00000
     12     -19.6140      1.00000
     13     -19.6129      1.00000
     14     -18.7906      1.00000
     15     -18.7555      1.00000
     16     -18.7356      1.00000
     17     -18.7261      1.00000
     18     -18.7190      1.00000
     19     -18.7137      1.00000
     20     -16.6354      1.00000
     21     -16.6095      1.00000
     22     -16.5851      1.00000
     23     -16.5817      1.00000
     24     -16.5547      1.00000
     25     -16.5530      1.00000
     26     -15.6154      1.00000
     27     -15.6027      1.00000
     28     -15.5994      1.00000
     29     -15.5653      1.00000
     30     -15.5635      1.00000
     31     -15.5626      1.00000
     32     -14.2603      1.00000
     33     -14.2510      1.00000
     34     -14.2411      1.00000
     35     -14.2361      1.00000
     36     -14.2228      1.00000
     37     -14.2200      1.00000
     38     -11.9060      1.00000
     39     -11.8791      1.00000
     40     -11.8679      1.00000
     41     -11.8658      1.00000
     42     -11.8450      1.00000
     43     -11.8449      1.00000
     44     -11.7715      1.00000
     45     -11.7688      1.00000
     46     -11.7361      1.00000
     47     -11.7295      1.00000
     48     -11.7253      1.00000
     49     -11.7228      1.00000
     50     -10.6766      1.00000
     51     -10.3890      1.00000
     52     -10.3840      1.00000
     53     -10.3770      1.00000
     54     -10.3692      1.00000
     55     -10.3560      1.00000
     56     -10.3538      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4060      1.00000
     60      -9.3629      1.00000
     61      -9.3623      1.00000
     62      -9.3545      1.00000
     63      -9.1425      1.00000
     64      -9.1219      1.00000
     65      -9.1212      1.00000
     66      -9.0849      1.00000
     67      -9.0719      1.00000
     68      -9.0713      1.00000
     69      -9.0711      1.00000
     70      -9.0642      1.00000
     71      -9.0642      1.00000
     72      -9.0385      1.00000
     73      -9.0289      1.00000
     74      -9.0257      1.00000
     75      -8.1301      1.00000
     76      -7.7457      1.00000
     77      -7.4687      1.00000
     78      -7.4666      1.00000
     79      -7.4538      1.00000
     80      -7.4342      1.00000
     81      -7.4247      1.00000
     82      -7.4066      1.00000
     83      -7.3130      1.00000
     84      -7.2712      1.00000
     85      -7.2576      1.00000
     86      -7.2491      1.00000
     87      -7.1507      1.00000
     88      -7.0494      1.00000
     89      -6.4463      1.00000
     90      -6.4161      1.00000
     91      -6.4005      1.00000
     92      -6.3638      1.00000
     93      -6.3530      1.00000
     94      -6.3407      1.00000
     95      -5.9584      1.00000
     96      -5.9581      1.00000
     97      -4.8064      1.00000
     98      -4.5444      1.00000
     99      -4.4814      1.00000
    100      -4.4744      1.00000
    101      -4.3822      1.00000
    102      -4.3817      1.00000
    103      -4.2678      1.00000
    104      -4.1872      1.00000
    105      -3.7392      1.00000
    106      -3.4775      1.00000
    107      -1.8619      0.00000
    108      -1.6706      0.00000
    109      -1.6241      0.00000
    110      -1.5913      0.00000
    111      -1.5758      0.00000
    112      -1.5749      0.00000
    113      -0.4288      0.00000
    114       0.1458      0.00000
    115       0.1921      0.00000
    116       0.2557      0.00000
    117       0.2675      0.00000
    118       0.2715      0.00000
    119       0.4771      0.00000
    120       0.5475      0.00000
    121       1.2474      0.00000
    122       1.2900      0.00000
    123       1.5354      0.00000
    124       1.7710      0.00000
    125       1.7738      0.00000
    126       1.7742      0.00000
    127       1.8008      0.00000
    128       1.8297      0.00000
    129       1.9587      0.00000
    130       1.9688      0.00000
    131       1.9746      0.00000
    132       1.9893      0.00000
    133       1.9965      0.00000
    134       2.0784      0.00000
    135       2.2494      0.00000
    136       2.3462      0.00000
    137       2.6086      0.00000
    138       2.6102      0.00000
    139       2.6370      0.00000
    140       2.7065      0.00000
    141       2.9352      0.00000
    142       3.0462      0.00000
    143       3.0650      0.00000
    144       3.0989      0.00000
    145       3.1010      0.00000
    146       3.1066      0.00000
    147       3.1084      0.00000
    148       3.2755      0.00000
    149       3.4528      0.00000
    150       3.5059      0.00000
    151       3.8218      0.00000
    152       3.9513      0.00000
    153       3.9554      0.00000
    154       3.9565      0.00000
    155       3.9602      0.00000
    156       3.9961      0.00000
    157       4.1879      0.00000
    158       4.2628      0.00000
    159       4.2786      0.00000
    160       4.2841      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8317      1.00000
      3     -21.6394      1.00000
      4     -21.6116      1.00000
      5     -21.2758      1.00000
      6     -21.2364      1.00000
      7     -21.0580      1.00000
      8     -20.1687      1.00000
      9     -20.1305      1.00000
     10     -19.6096      1.00000
     11     -19.5985      1.00000
     12     -19.4181      1.00000
     13     -19.0906      1.00000
     14     -19.0609      1.00000
     15     -19.0498      1.00000
     16     -19.0423      1.00000
     17     -18.3615      1.00000
     18     -18.3531      1.00000
     19     -18.0198      1.00000
     20     -17.0698      1.00000
     21     -17.0310      1.00000
     22     -16.9444      1.00000
     23     -16.9406      1.00000
     24     -16.4685      1.00000
     25     -16.4638      1.00000
     26     -15.6149      1.00000
     27     -15.6080      1.00000
     28     -15.2533      1.00000
     29     -15.2441      1.00000
     30     -15.1853      1.00000
     31     -15.0985      1.00000
     32     -15.0716      1.00000
     33     -14.6991      1.00000
     34     -14.6971      1.00000
     35     -13.7270      1.00000
     36     -13.7245      1.00000
     37     -13.2361      1.00000
     38     -12.6145      1.00000
     39     -12.5843      1.00000
     40     -12.4548      1.00000
     41     -12.4512      1.00000
     42     -12.1096      1.00000
     43     -12.1050      1.00000
     44     -11.7178      1.00000
     45     -11.6869      1.00000
     46     -11.2354      1.00000
     47     -11.2262      1.00000
     48     -11.0181      1.00000
     49     -11.0102      1.00000
     50     -10.9272      1.00000
     51     -10.9057      1.00000
     52     -10.6316      1.00000
     53     -10.1553      1.00000
     54     -10.1512      1.00000
     55     -10.0920      1.00000
     56      -9.9990      1.00000
     57      -9.7033      1.00000
     58      -9.6953      1.00000
     59      -9.6565      1.00000
     60      -9.5922      1.00000
     61      -9.5771      1.00000
     62      -9.5590      1.00000
     63      -9.3074      1.00000
     64      -9.3035      1.00000
     65      -9.2746      1.00000
     66      -9.2370      1.00000
     67      -9.1372      1.00000
     68      -9.1153      1.00000
     69      -9.1116      1.00000
     70      -8.9402      1.00000
     71      -8.8725      1.00000
     72      -8.6046      1.00000
     73      -8.5910      1.00000
     74      -8.2367      1.00000
     75      -8.1005      1.00000
     76      -7.9135      1.00000
     77      -7.8640      1.00000
     78      -7.7718      1.00000
     79      -7.7570      1.00000
     80      -7.6923      1.00000
     81      -7.5606      1.00000
     82      -7.3389      1.00000
     83      -7.3228      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0125      1.00000
     88      -6.7047      1.00000
     89      -6.6783      1.00000
     90      -6.6413      1.00000
     91      -6.5979      1.00000
     92      -6.1158      1.00000
     93      -6.0624      1.00000
     94      -6.0312      1.00000
     95      -6.0116      1.00000
     96      -5.7834      1.00000
     97      -4.9745      1.00000
     98      -4.8321      1.00000
     99      -4.7471      1.00000
    100      -4.6794      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1719      1.00000
    104      -4.1280      1.00000
    105      -3.7296      1.00000
    106      -3.4877      1.00000
    107      -1.8703      0.00000
    108      -1.8089      0.00000
    109      -1.5243      0.00000
    110      -1.3775      0.00000
    111      -1.3214      0.00000
    112      -1.2880      0.00000
    113      -0.7199      0.00000
    114      -0.3759      0.00000
    115      -0.2499      0.00000
    116       0.0370      0.00000
    117       0.5555      0.00000
    118       0.6984      0.00000
    119       0.7464      0.00000
    120       1.0479      0.00000
    121       1.1000      0.00000
    122       1.1496      0.00000
    123       1.2274      0.00000
    124       1.3774      0.00000
    125       1.5232      0.00000
    126       1.5819      0.00000
    127       1.7151      0.00000
    128       1.8149      0.00000
    129       1.8579      0.00000
    130       1.8817      0.00000
    131       2.0966      0.00000
    132       2.1863      0.00000
    133       2.2413      0.00000
    134       2.3059      0.00000
    135       2.5124      0.00000
    136       2.5877      0.00000
    137       2.6406      0.00000
    138       2.7780      0.00000
    139       2.7945      0.00000
    140       2.8261      0.00000
    141       2.8615      0.00000
    142       2.8993      0.00000
    143       2.9449      0.00000
    144       3.0794      0.00000
    145       3.1524      0.00000
    146       3.3197      0.00000
    147       3.3853      0.00000
    148       3.4317      0.00000
    149       3.4645      0.00000
    150       3.6151      0.00000
    151       3.6463      0.00000
    152       3.6658      0.00000
    153       3.7107      0.00000
    154       3.9089      0.00000
    155       3.9616      0.00000
    156       4.0164      0.00000
    157       4.0699      0.00000
    158       4.2345      0.00000
    159       4.2487      0.00000
    160       4.2782      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2849      1.00000
      2     -22.0792      1.00000
      3     -21.7179      1.00000
      4     -21.6860      1.00000
      5     -20.9806      1.00000
      6     -20.9400      1.00000
      7     -20.6129      1.00000
      8     -20.5763      1.00000
      9     -20.5700      1.00000
     10     -20.0336      1.00000
     11     -19.5044      1.00000
     12     -19.4926      1.00000
     13     -19.3078      1.00000
     14     -19.3026      1.00000
     15     -18.4485      1.00000
     16     -18.4118      1.00000
     17     -17.9230      1.00000
     18     -17.9137      1.00000
     19     -17.7623      1.00000
     20     -17.7266      1.00000
     21     -17.4365      1.00000
     22     -17.4292      1.00000
     23     -17.3415      1.00000
     24     -16.4634      1.00000
     25     -16.4623      1.00000
     26     -15.9677      1.00000
     27     -15.4150      1.00000
     28     -15.4096      1.00000
     29     -15.0973      1.00000
     30     -15.0938      1.00000
     31     -14.8555      1.00000
     32     -14.8478      1.00000
     33     -14.2907      1.00000
     34     -14.2579      1.00000
     35     -13.4370      1.00000
     36     -13.4045      1.00000
     37     -13.1779      1.00000
     38     -13.1746      1.00000
     39     -12.9826      1.00000
     40     -12.9776      1.00000
     41     -12.6134      1.00000
     42     -12.6103      1.00000
     43     -12.1981      1.00000
     44     -11.5771      1.00000
     45     -11.5433      1.00000
     46     -11.3112      1.00000
     47     -11.2884      1.00000
     48     -11.1422      1.00000
     49     -10.6767      1.00000
     50     -10.6606      1.00000
     51     -10.5536      1.00000
     52     -10.3237      1.00000
     53     -10.3181      1.00000
     54     -10.1699      1.00000
     55     -10.1156      1.00000
     56     -10.1129      1.00000
     57      -9.7987      1.00000
     58      -9.7651      1.00000
     59      -9.7523      1.00000
     60      -9.7003      1.00000
     61      -9.6972      1.00000
     62      -9.6626      1.00000
     63      -9.3545      1.00000
     64      -9.3518      1.00000
     65      -9.3158      1.00000
     66      -9.0414      1.00000
     67      -8.9623      1.00000
     68      -8.9499      1.00000
     69      -8.8000      1.00000
     70      -8.5951      1.00000
     71      -8.5581      1.00000
     72      -8.3988      1.00000
     73      -8.3653      1.00000
     74      -8.3247      1.00000
     75      -8.3072      1.00000
     76      -8.2590      1.00000
     77      -8.2573      1.00000
     78      -8.2365      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3865      1.00000
     83      -7.3494      1.00000
     84      -7.2309      1.00000
     85      -7.0967      1.00000
     86      -7.0390      1.00000
     87      -6.9342      1.00000
     88      -6.8483      1.00000
     89      -6.6127      1.00000
     90      -6.5587      1.00000
     91      -6.2698      1.00000
     92      -6.0439      1.00000
     93      -5.9517      1.00000
     94      -5.6628      1.00000
     95      -5.6227      1.00000
     96      -5.4633      1.00000
     97      -5.3201      1.00000
     98      -5.2789      1.00000
     99      -5.2139      1.00000
    100      -5.1939      1.00000
    101      -4.5084      1.00000
    102      -4.2076      1.00000
    103      -4.0593      1.00000
    104      -3.9892      1.00000
    105      -3.6943      1.00000
    106      -3.4980      1.00000
    107      -1.9462      0.00000
    108      -1.8963      0.00000
    109      -1.3390      0.00000
    110      -1.0848      0.00000
    111      -1.0581      0.00000
    112      -0.8002      0.00000
    113      -0.6775      0.00000
    114      -0.6468      0.00000
    115      -0.6072      0.00000
    116      -0.1080      0.00000
    117       0.2156      0.00000
    118       0.3292      0.00000
    119       0.6939      0.00000
    120       0.8874      0.00000
    121       1.1272      0.00000
    122       1.1992      0.00000
    123       1.3261      0.00000
    124       1.4204      0.00000
    125       1.5542      0.00000
    126       1.5763      0.00000
    127       1.6788      0.00000
    128       1.8080      0.00000
    129       1.8817      0.00000
    130       2.0548      0.00000
    131       2.1257      0.00000
    132       2.3277      0.00000
    133       2.3598      0.00000
    134       2.3951      0.00000
    135       2.5449      0.00000
    136       2.6301      0.00000
    137       2.7289      0.00000
    138       2.7595      0.00000
    139       2.8268      0.00000
    140       2.8791      0.00000
    141       3.0453      0.00000
    142       3.0551      0.00000
    143       3.1620      0.00000
    144       3.2637      0.00000
    145       3.3612      0.00000
    146       3.4157      0.00000
    147       3.4332      0.00000
    148       3.5644      0.00000
    149       3.5812      0.00000
    150       3.5980      0.00000
    151       3.6598      0.00000
    152       3.6756      0.00000
    153       3.7803      0.00000
    154       3.8000      0.00000
    155       3.8089      0.00000
    156       3.8953      0.00000
    157       3.9207      0.00000
    158       3.9968      0.00000
    159       4.2132      0.00000
    160       4.2275      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3188      1.00000
      2     -21.9641      1.00000
      3     -21.8949      1.00000
      4     -21.3821      1.00000
      5     -21.3529      1.00000
      6     -20.8408      1.00000
      7     -20.7755      1.00000
      8     -20.6252      1.00000
      9     -20.0787      1.00000
     10     -20.0730      1.00000
     11     -19.7178      1.00000
     12     -19.6933      1.00000
     13     -18.9974      1.00000
     14     -18.9915      1.00000
     15     -18.6416      1.00000
     16     -18.6256      1.00000
     17     -18.4630      1.00000
     18     -17.6760      1.00000
     19     -17.6256      1.00000
     20     -17.6228      1.00000
     21     -17.5809      1.00000
     22     -17.1273      1.00000
     23     -17.1058      1.00000
     24     -16.9626      1.00000
     25     -16.0023      1.00000
     26     -15.9304      1.00000
     27     -15.5864      1.00000
     28     -15.5861      1.00000
     29     -15.2875      1.00000
     30     -14.8647      1.00000
     31     -14.8375      1.00000
     32     -14.5794      1.00000
     33     -14.5376      1.00000
     34     -14.1693      1.00000
     35     -14.1558      1.00000
     36     -13.1484      1.00000
     37     -13.1012      1.00000
     38     -13.0301      1.00000
     39     -13.0199      1.00000
     40     -12.7094      1.00000
     41     -12.7053      1.00000
     42     -12.3422      1.00000
     43     -12.3110      1.00000
     44     -11.6365      1.00000
     45     -11.6228      1.00000
     46     -11.5727      1.00000
     47     -10.9500      1.00000
     48     -10.9170      1.00000
     49     -10.6329      1.00000
     50     -10.6248      1.00000
     51     -10.5479      1.00000
     52     -10.5002      1.00000
     53     -10.4999      1.00000
     54     -10.4398      1.00000
     55     -10.3607      1.00000
     56     -10.1001      1.00000
     57      -9.9042      1.00000
     58      -9.6087      1.00000
     59      -9.5564      1.00000
     60      -9.4529      1.00000
     61      -9.4125      1.00000
     62      -9.4056      1.00000
     63      -9.3775      1.00000
     64      -9.3772      1.00000
     65      -9.2879      1.00000
     66      -9.1690      1.00000
     67      -9.1435      1.00000
     68      -9.1151      1.00000
     69      -8.8651      1.00000
     70      -8.8576      1.00000
     71      -8.8157      1.00000
     72      -8.5975      1.00000
     73      -8.4805      1.00000
     74      -8.1991      1.00000
     75      -8.1636      1.00000
     76      -8.0092      1.00000
     77      -7.9640      1.00000
     78      -7.8506      1.00000
     79      -7.8405      1.00000
     80      -7.7043      1.00000
     81      -7.6970      1.00000
     82      -7.6224      1.00000
     83      -7.4490      1.00000
     84      -7.3009      1.00000
     85      -7.2532      1.00000
     86      -6.9065      1.00000
     87      -6.8927      1.00000
     88      -6.5890      1.00000
     89      -6.5515      1.00000
     90      -6.4062      1.00000
     91      -6.2537      1.00000
     92      -6.2329      1.00000
     93      -6.2055      1.00000
     94      -6.0232      1.00000
     95      -5.5501      1.00000
     96      -5.4890      1.00000
     97      -5.3505      1.00000
     98      -5.2198      1.00000
     99      -4.9795      1.00000
    100      -4.7326      1.00000
    101      -4.6781      1.00000
    102      -4.3875      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5464      1.00000
    106      -3.5100      1.00000
    107      -2.2563      0.00000
    108      -1.4565      0.00000
    109      -1.3712      0.00000
    110      -1.2417      0.00000
    111      -1.0979      0.00000
    112      -0.9450      0.00000
    113      -0.8636      0.00000
    114      -0.8032      0.00000
    115      -0.1393      0.00000
    116       0.1111      0.00000
    117       0.2408      0.00000
    118       0.3777      0.00000
    119       0.6514      0.00000
    120       0.8359      0.00000
    121       0.9366      0.00000
    122       1.0636      0.00000
    123       1.2330      0.00000
    124       1.4477      0.00000
    125       1.5497      0.00000
    126       1.7664      0.00000
    127       1.7931      0.00000
    128       1.8735      0.00000
    129       1.9685      0.00000
    130       2.0450      0.00000
    131       2.1752      0.00000
    132       2.1947      0.00000
    133       2.4099      0.00000
    134       2.4610      0.00000
    135       2.5311      0.00000
    136       2.6043      0.00000
    137       2.6383      0.00000
    138       2.6953      0.00000
    139       2.7741      0.00000
    140       2.8333      0.00000
    141       2.9483      0.00000
    142       3.0803      0.00000
    143       3.2006      0.00000
    144       3.2112      0.00000
    145       3.2591      0.00000
    146       3.3231      0.00000
    147       3.3262      0.00000
    148       3.4670      0.00000
    149       3.4987      0.00000
    150       3.6988      0.00000
    151       3.7112      0.00000
    152       3.7286      0.00000
    153       3.8574      0.00000
    154       3.9145      0.00000
    155       3.9431      0.00000
    156       3.9801      0.00000
    157       4.0150      0.00000
    158       4.0340      0.00000
    159       4.0482      0.00000
    160       4.0646      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2118      1.00000
      2     -22.1189      1.00000
      3     -21.9581      1.00000
      4     -21.4057      1.00000
      5     -21.0510      1.00000
      6     -21.0151      1.00000
      7     -20.5018      1.00000
      8     -20.4624      1.00000
      9     -20.2961      1.00000
     10     -20.2767      1.00000
     11     -19.9587      1.00000
     12     -19.8929      1.00000
     13     -18.8835      1.00000
     14     -18.8148      1.00000
     15     -18.3538      1.00000
     16     -18.3075      1.00000
     17     -18.1539      1.00000
     18     -18.1368      1.00000
     19     -17.8276      1.00000
     20     -17.7900      1.00000
     21     -17.2525      1.00000
     22     -17.2425      1.00000
     23     -17.1655      1.00000
     24     -17.1337      1.00000
     25     -16.1109      1.00000
     26     -15.8865      1.00000
     27     -15.8711      1.00000
     28     -15.8349      1.00000
     29     -15.2371      1.00000
     30     -14.5559      1.00000
     31     -14.5280      1.00000
     32     -14.2808      1.00000
     33     -13.9644      1.00000
     34     -13.9569      1.00000
     35     -13.8208      1.00000
     36     -13.8050      1.00000
     37     -13.6153      1.00000
     38     -13.5715      1.00000
     39     -13.3710      1.00000
     40     -12.6354      1.00000
     41     -12.1816      1.00000
     42     -12.1335      1.00000
     43     -12.0729      1.00000
     44     -12.0207      1.00000
     45     -11.6701      1.00000
     46     -11.6566      1.00000
     47     -11.1394      1.00000
     48     -11.1189      1.00000
     49     -10.7954      1.00000
     50     -10.7318      1.00000
     51     -10.5294      1.00000
     52     -10.2091      1.00000
     53     -10.2063      1.00000
     54     -10.1654      1.00000
     55     -10.0183      1.00000
     56     -10.0048      1.00000
     57      -9.9912      1.00000
     58      -9.8018      1.00000
     59      -9.7980      1.00000
     60      -9.7627      1.00000
     61      -9.7579      1.00000
     62      -9.4552      1.00000
     63      -9.4180      1.00000
     64      -9.0810      1.00000
     65      -9.0728      1.00000
     66      -9.0412      1.00000
     67      -8.9558      1.00000
     68      -8.8778      1.00000
     69      -8.7126      1.00000
     70      -8.7002      1.00000
     71      -8.5663      1.00000
     72      -8.5435      1.00000
     73      -8.4997      1.00000
     74      -8.4630      1.00000
     75      -8.4538      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0438      1.00000
     79      -7.9160      1.00000
     80      -7.8635      1.00000
     81      -7.6151      1.00000
     82      -7.5488      1.00000
     83      -7.4901      1.00000
     84      -7.2680      1.00000
     85      -6.9954      1.00000
     86      -6.9232      1.00000
     87      -6.8822      1.00000
     88      -6.5327      1.00000
     89      -6.4873      1.00000
     90      -6.4614      1.00000
     91      -6.4104      1.00000
     92      -5.9840      1.00000
     93      -5.8976      1.00000
     94      -5.7847      1.00000
     95      -5.7597      1.00000
     96      -5.4322      1.00000
     97      -5.3294      1.00000
     98      -5.2303      1.00000
     99      -5.2178      1.00000
    100      -5.1885      1.00000
    101      -4.6922      1.00000
    102      -4.4215      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5291      1.00000
    106      -3.2742      1.00000
    107      -2.5311      0.00000
    108      -1.4580      0.00000
    109      -1.2666      0.00000
    110      -1.2029      0.00000
    111      -1.1725      0.00000
    112      -0.7196      0.00000
    113      -0.5034      0.00000
    114      -0.4119      0.00000
    115      -0.3395      0.00000
    116      -0.1459      0.00000
    117      -0.0027      0.00000
    118       0.1939      0.00000
    119       0.5613      0.00000
    120       0.6126      0.00000
    121       0.7960      0.00000
    122       0.9066      0.00000
    123       1.1322      0.00000
    124       1.4929      0.00000
    125       1.6344      0.00000
    126       1.8517      0.00000
    127       1.9264      0.00000
    128       2.1048      0.00000
    129       2.1150      0.00000
    130       2.1541      0.00000
    131       2.1884      0.00000
    132       2.2799      0.00000
    133       2.3404      0.00000
    134       2.4702      0.00000
    135       2.5813      0.00000
    136       2.6568      0.00000
    137       2.8540      0.00000
    138       2.8714      0.00000
    139       2.8932      0.00000
    140       3.0114      0.00000
    141       3.0211      0.00000
    142       3.1397      0.00000
    143       3.1830      0.00000
    144       3.2306      0.00000
    145       3.2725      0.00000
    146       3.2840      0.00000
    147       3.3002      0.00000
    148       3.3463      0.00000
    149       3.4237      0.00000
    150       3.4479      0.00000
    151       3.5542      0.00000
    152       3.6240      0.00000
    153       3.7092      0.00000
    154       3.7323      0.00000
    155       3.7724      0.00000
    156       3.8946      0.00000
    157       3.9391      0.00000
    158       4.0041      0.00000
    159       4.1303      0.00000
    160       4.2226      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3187      1.00000
      2     -21.9656      1.00000
      3     -21.8935      1.00000
      4     -21.3858      1.00000
      5     -21.3494      1.00000
      6     -20.8406      1.00000
      7     -20.7742      1.00000
      8     -20.6262      1.00000
      9     -20.0906      1.00000
     10     -20.0619      1.00000
     11     -19.7195      1.00000
     12     -19.6907      1.00000
     13     -19.0108      1.00000
     14     -18.9797      1.00000
     15     -18.6507      1.00000
     16     -18.6179      1.00000
     17     -18.4616      1.00000
     18     -17.6612      1.00000
     19     -17.6476      1.00000
     20     -17.6114      1.00000
     21     -17.5788      1.00000
     22     -17.1380      1.00000
     23     -17.0980      1.00000
     24     -16.9663      1.00000
     25     -16.0087      1.00000
     26     -15.9239      1.00000
     27     -15.5997      1.00000
     28     -15.5762      1.00000
     29     -15.2803      1.00000
     30     -14.8774      1.00000
     31     -14.8304      1.00000
     32     -14.5753      1.00000
     33     -14.5375      1.00000
     34     -14.1643      1.00000
     35     -14.1603      1.00000
     36     -13.1626      1.00000
     37     -13.0968      1.00000
     38     -13.0237      1.00000
     39     -13.0189      1.00000
     40     -12.7184      1.00000
     41     -12.6952      1.00000
     42     -12.3414      1.00000
     43     -12.3142      1.00000
     44     -11.6318      1.00000
     45     -11.6226      1.00000
     46     -11.5706      1.00000
     47     -10.9411      1.00000
     48     -10.9233      1.00000
     49     -10.6694      1.00000
     50     -10.5901      1.00000
     51     -10.5735      1.00000
     52     -10.5011      1.00000
     53     -10.4897      1.00000
     54     -10.4393      1.00000
     55     -10.3568      1.00000
     56     -10.1044      1.00000
     57      -9.8984      1.00000
     58      -9.6092      1.00000
     59      -9.5519      1.00000
     60      -9.4548      1.00000
     61      -9.4181      1.00000
     62      -9.4099      1.00000
     63      -9.3799      1.00000
     64      -9.3727      1.00000
     65      -9.2681      1.00000
     66      -9.1652      1.00000
     67      -9.1412      1.00000
     68      -9.1159      1.00000
     69      -8.8663      1.00000
     70      -8.8602      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1932      1.00000
     75      -8.1706      1.00000
     76      -8.0761      1.00000
     77      -7.8580      1.00000
     78      -7.8371      1.00000
     79      -7.8242      1.00000
     80      -7.7105      1.00000
     81      -7.6961      1.00000
     82      -7.5977      1.00000
     83      -7.5301      1.00000
     84      -7.3506      1.00000
     85      -7.1679      1.00000
     86      -6.9051      1.00000
     87      -6.8959      1.00000
     88      -6.5928      1.00000
     89      -6.5516      1.00000
     90      -6.4062      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2009      1.00000
     94      -6.0041      1.00000
     95      -5.5319      1.00000
     96      -5.4654      1.00000
     97      -5.3142      1.00000
     98      -5.2096      1.00000
     99      -5.0470      1.00000
    100      -4.7236      1.00000
    101      -4.6716      1.00000
    102      -4.4239      1.00000
    103      -4.1947      1.00000
    104      -3.8428      1.00000
    105      -3.6345      1.00000
    106      -3.4162      1.00000
    107      -2.2925      0.00000
    108      -1.5093      0.00000
    109      -1.2699      0.00000
    110      -1.2623      0.00000
    111      -1.0343      0.00000
    112      -0.9778      0.00000
    113      -0.8680      0.00000
    114      -0.7998      0.00000
    115      -0.2616      0.00000
    116       0.2044      0.00000
    117       0.2396      0.00000
    118       0.3600      0.00000
    119       0.6906      0.00000
    120       0.8942      0.00000
    121       0.9239      0.00000
    122       1.0403      0.00000
    123       1.1667      0.00000
    124       1.5094      0.00000
    125       1.5587      0.00000
    126       1.7101      0.00000
    127       1.7788      0.00000
    128       1.8336      0.00000
    129       1.9638      0.00000
    130       1.9841      0.00000
    131       2.1851      0.00000
    132       2.2607      0.00000
    133       2.4145      0.00000
    134       2.4689      0.00000
    135       2.5287      0.00000
    136       2.6006      0.00000
    137       2.6188      0.00000
    138       2.6987      0.00000
    139       2.7541      0.00000
    140       2.8622      0.00000
    141       3.0354      0.00000
    142       3.0786      0.00000
    143       3.1894      0.00000
    144       3.2455      0.00000
    145       3.2600      0.00000
    146       3.2979      0.00000
    147       3.3504      0.00000
    148       3.4518      0.00000
    149       3.5197      0.00000
    150       3.6918      0.00000
    151       3.7172      0.00000
    152       3.7520      0.00000
    153       3.8311      0.00000
    154       3.8906      0.00000
    155       3.9304      0.00000
    156       3.9778      0.00000
    157       4.0082      0.00000
    158       4.0432      0.00000
    159       4.0455      0.00000
    160       4.0849      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3908      1.00000
      2     -21.8320      1.00000
      3     -21.6426      1.00000
      4     -21.6076      1.00000
      5     -21.2800      1.00000
      6     -21.2329      1.00000
      7     -21.0576      1.00000
      8     -20.1725      1.00000
      9     -20.1264      1.00000
     10     -19.6179      1.00000
     11     -19.5917      1.00000
     12     -19.4166      1.00000
     13     -19.0955      1.00000
     14     -19.0569      1.00000
     15     -19.0524      1.00000
     16     -19.0397      1.00000
     17     -18.3676      1.00000
     18     -18.3478      1.00000
     19     -18.0175      1.00000
     20     -17.0730      1.00000
     21     -17.0242      1.00000
     22     -16.9503      1.00000
     23     -16.9364      1.00000
     24     -16.4753      1.00000
     25     -16.4633      1.00000
     26     -15.6101      1.00000
     27     -15.6096      1.00000
     28     -15.2504      1.00000
     29     -15.2383      1.00000
     30     -15.1923      1.00000
     31     -15.1022      1.00000
     32     -15.0692      1.00000
     33     -14.6988      1.00000
     34     -14.6978      1.00000
     35     -13.7253      1.00000
     36     -13.7253      1.00000
     37     -13.2359      1.00000
     38     -12.6246      1.00000
     39     -12.5805      1.00000
     40     -12.4555      1.00000
     41     -12.4501      1.00000
     42     -12.1053      1.00000
     43     -12.1003      1.00000
     44     -11.7218      1.00000
     45     -11.6832      1.00000
     46     -11.2455      1.00000
     47     -11.2249      1.00000
     48     -11.0182      1.00000
     49     -11.0065      1.00000
     50     -10.9280      1.00000
     51     -10.8994      1.00000
     52     -10.6376      1.00000
     53     -10.1729      1.00000
     54     -10.1499      1.00000
     55     -10.0852      1.00000
     56      -9.9926      1.00000
     57      -9.6966      1.00000
     58      -9.6900      1.00000
     59      -9.6709      1.00000
     60      -9.5914      1.00000
     61      -9.5674      1.00000
     62      -9.5542      1.00000
     63      -9.3132      1.00000
     64      -9.3005      1.00000
     65      -9.2837      1.00000
     66      -9.2430      1.00000
     67      -9.1227      1.00000
     68      -9.1129      1.00000
     69      -9.1113      1.00000
     70      -8.9400      1.00000
     71      -8.8752      1.00000
     72      -8.6048      1.00000
     73      -8.5861      1.00000
     74      -8.2712      1.00000
     75      -8.1016      1.00000
     76      -7.8675      1.00000
     77      -7.8439      1.00000
     78      -7.7907      1.00000
     79      -7.7649      1.00000
     80      -7.7559      1.00000
     81      -7.4473      1.00000
     82      -7.3349      1.00000
     83      -7.3234      1.00000
     84      -7.2664      1.00000
     85      -7.1628      1.00000
     86      -7.0148      1.00000
     87      -6.9867      1.00000
     88      -6.7179      1.00000
     89      -6.6908      1.00000
     90      -6.6319      1.00000
     91      -6.5907      1.00000
     92      -6.1178      1.00000
     93      -6.0589      1.00000
     94      -6.0448      1.00000
     95      -6.0285      1.00000
     96      -5.7481      1.00000
     97      -4.9747      1.00000
     98      -4.8396      1.00000
     99      -4.7091      1.00000
    100      -4.6735      1.00000
    101      -4.4836      1.00000
    102      -4.3522      1.00000
    103      -4.1119      1.00000
    104      -4.0555      1.00000
    105      -3.7550      1.00000
    106      -3.4654      1.00000
    107      -1.9506      0.00000
    108      -1.7711      0.00000
    109      -1.4798      0.00000
    110      -1.3555      0.00000
    111      -1.3359      0.00000
    112      -1.2926      0.00000
    113      -0.6785      0.00000
    114      -0.4719      0.00000
    115      -0.2354      0.00000
    116       0.0517      0.00000
    117       0.5872      0.00000
    118       0.6925      0.00000
    119       0.7701      0.00000
    120       1.0228      0.00000
    121       1.0970      0.00000
    122       1.1766      0.00000
    123       1.2500      0.00000
    124       1.3344      0.00000
    125       1.4330      0.00000
    126       1.5980      0.00000
    127       1.7638      0.00000
    128       1.8426      0.00000
    129       1.8603      0.00000
    130       1.8874      0.00000
    131       2.0463      0.00000
    132       2.2171      0.00000
    133       2.2317      0.00000
    134       2.2850      0.00000
    135       2.4793      0.00000
    136       2.6157      0.00000
    137       2.6434      0.00000
    138       2.7514      0.00000
    139       2.7921      0.00000
    140       2.8363      0.00000
    141       2.8474      0.00000
    142       2.8733      0.00000
    143       2.9481      0.00000
    144       3.0836      0.00000
    145       3.3162      0.00000
    146       3.3558      0.00000
    147       3.4076      0.00000
    148       3.4194      0.00000
    149       3.4206      0.00000
    150       3.5983      0.00000
    151       3.6504      0.00000
    152       3.6725      0.00000
    153       3.7285      0.00000
    154       3.8937      0.00000
    155       3.9251      0.00000
    156       3.9565      0.00000
    157       4.1102      0.00000
    158       4.2064      0.00000
    159       4.2511      0.00000
    160       4.2821      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2109      1.00000
      2     -22.1202      1.00000
      3     -21.9578      1.00000
      4     -21.4057      1.00000
      5     -21.0472      1.00000
      6     -21.0189      1.00000
      7     -20.4970      1.00000
      8     -20.4671      1.00000
      9     -20.2873      1.00000
     10     -20.2853      1.00000
     11     -19.9576      1.00000
     12     -19.8945      1.00000
     13     -18.8841      1.00000
     14     -18.8166      1.00000
     15     -18.3385      1.00000
     16     -18.3195      1.00000
     17     -18.1498      1.00000
     18     -18.1423      1.00000
     19     -17.8165      1.00000
     20     -17.7985      1.00000
     21     -17.2586      1.00000
     22     -17.2391      1.00000
     23     -17.1608      1.00000
     24     -17.1360      1.00000
     25     -16.1174      1.00000
     26     -15.8811      1.00000
     27     -15.8701      1.00000
     28     -15.8409      1.00000
     29     -15.2313      1.00000
     30     -14.5513      1.00000
     31     -14.5329      1.00000
     32     -14.2760      1.00000
     33     -13.9755      1.00000
     34     -13.9519      1.00000
     35     -13.8253      1.00000
     36     -13.8029      1.00000
     37     -13.6044      1.00000
     38     -13.5791      1.00000
     39     -13.3712      1.00000
     40     -12.6396      1.00000
     41     -12.1691      1.00000
     42     -12.1427      1.00000
     43     -12.0685      1.00000
     44     -12.0216      1.00000
     45     -11.6654      1.00000
     46     -11.6607      1.00000
     47     -11.1368      1.00000
     48     -11.1258      1.00000
     49     -10.7905      1.00000
     50     -10.7344      1.00000
     51     -10.5361      1.00000
     52     -10.2089      1.00000
     53     -10.2027      1.00000
     54     -10.1711      1.00000
     55     -10.0232      1.00000
     56      -9.9948      1.00000
     57      -9.9906      1.00000
     58      -9.8055      1.00000
     59      -9.7965      1.00000
     60      -9.7648      1.00000
     61      -9.7569      1.00000
     62      -9.4544      1.00000
     63      -9.4178      1.00000
     64      -9.0852      1.00000
     65      -9.0463      1.00000
     66      -9.0260      1.00000
     67      -8.9697      1.00000
     68      -8.8982      1.00000
     69      -8.7085      1.00000
     70      -8.6993      1.00000
     71      -8.5599      1.00000
     72      -8.5492      1.00000
     73      -8.4781      1.00000
     74      -8.4598      1.00000
     75      -8.4571      1.00000
     76      -8.3087      1.00000
     77      -8.0954      1.00000
     78      -8.0896      1.00000
     79      -7.9268      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5368      1.00000
     83      -7.4437      1.00000
     84      -7.3142      1.00000
     85      -6.9941      1.00000
     86      -6.9194      1.00000
     87      -6.8824      1.00000
     88      -6.5276      1.00000
     89      -6.5149      1.00000
     90      -6.4808      1.00000
     91      -6.4207      1.00000
     92      -5.9273      1.00000
     93      -5.9054      1.00000
     94      -5.7889      1.00000
     95      -5.7750      1.00000
     96      -5.3695      1.00000
     97      -5.3632      1.00000
     98      -5.2204      1.00000
     99      -5.2155      1.00000
    100      -5.1989      1.00000
    101      -4.7204      1.00000
    102      -4.4423      1.00000
    103      -4.1909      1.00000
    104      -3.8204      1.00000
    105      -3.5654      1.00000
    106      -3.2215      1.00000
    107      -2.5625      0.00000
    108      -1.4631      0.00000
    109      -1.2673      0.00000
    110      -1.1851      0.00000
    111      -1.1837      0.00000
    112      -0.6447      0.00000
    113      -0.5513      0.00000
    114      -0.4147      0.00000
    115      -0.3473      0.00000
    116      -0.0776      0.00000
    117      -0.0633      0.00000
    118       0.1260      0.00000
    119       0.5932      0.00000
    120       0.6265      0.00000
    121       0.8548      0.00000
    122       0.9853      0.00000
    123       1.0032      0.00000
    124       1.4939      0.00000
    125       1.6834      0.00000
    126       1.7639      0.00000
    127       1.8597      0.00000
    128       2.1121      0.00000
    129       2.1471      0.00000
    130       2.1909      0.00000
    131       2.2103      0.00000
    132       2.2573      0.00000
    133       2.3555      0.00000
    134       2.4938      0.00000
    135       2.5131      0.00000
    136       2.6638      0.00000
    137       2.8526      0.00000
    138       2.8593      0.00000
    139       2.9530      0.00000
    140       2.9984      0.00000
    141       3.0359      0.00000
    142       3.1350      0.00000
    143       3.1957      0.00000
    144       3.2448      0.00000
    145       3.2472      0.00000
    146       3.2795      0.00000
    147       3.3031      0.00000
    148       3.3545      0.00000
    149       3.4225      0.00000
    150       3.5504      0.00000
    151       3.5660      0.00000
    152       3.6465      0.00000
    153       3.6637      0.00000
    154       3.7050      0.00000
    155       3.7306      0.00000
    156       3.8967      0.00000
    157       3.9591      0.00000
    158       4.0356      0.00000
    159       4.0752      0.00000
    160       4.1838      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2845      1.00000
      2     -22.0798      1.00000
      3     -21.7214      1.00000
      4     -21.6822      1.00000
      5     -20.9839      1.00000
      6     -20.9361      1.00000
      7     -20.6124      1.00000
      8     -20.5802      1.00000
      9     -20.5667      1.00000
     10     -20.0333      1.00000
     11     -19.5143      1.00000
     12     -19.4842      1.00000
     13     -19.3122      1.00000
     14     -19.2992      1.00000
     15     -18.4505      1.00000
     16     -18.4074      1.00000
     17     -17.9283      1.00000
     18     -17.9079      1.00000
     19     -17.7667      1.00000
     20     -17.7218      1.00000
     21     -17.4423      1.00000
     22     -17.4238      1.00000
     23     -17.3388      1.00000
     24     -16.4714      1.00000
     25     -16.4611      1.00000
     26     -15.9713      1.00000
     27     -15.4115      1.00000
     28     -15.4105      1.00000
     29     -15.0964      1.00000
     30     -15.0934      1.00000
     31     -14.8535      1.00000
     32     -14.8412      1.00000
     33     -14.2984      1.00000
     34     -14.2547      1.00000
     35     -13.4448      1.00000
     36     -13.4009      1.00000
     37     -13.1754      1.00000
     38     -13.1740      1.00000
     39     -12.9864      1.00000
     40     -12.9775      1.00000
     41     -12.6110      1.00000
     42     -12.6089      1.00000
     43     -12.1973      1.00000
     44     -11.5798      1.00000
     45     -11.5386      1.00000
     46     -11.3137      1.00000
     47     -11.2834      1.00000
     48     -11.1425      1.00000
     49     -10.6926      1.00000
     50     -10.6632      1.00000
     51     -10.5475      1.00000
     52     -10.3228      1.00000
     53     -10.3150      1.00000
     54     -10.1762      1.00000
     55     -10.1214      1.00000
     56     -10.1081      1.00000
     57      -9.8119      1.00000
     58      -9.7529      1.00000
     59      -9.7525      1.00000
     60      -9.7026      1.00000
     61      -9.6987      1.00000
     62      -9.6473      1.00000
     63      -9.3530      1.00000
     64      -9.3515      1.00000
     65      -9.3179      1.00000
     66      -9.0282      1.00000
     67      -8.9618      1.00000
     68      -8.9580      1.00000
     69      -8.7758      1.00000
     70      -8.5916      1.00000
     71      -8.5886      1.00000
     72      -8.4240      1.00000
     73      -8.3499      1.00000
     74      -8.3225      1.00000
     75      -8.3023      1.00000
     76      -8.2658      1.00000
     77      -8.2541      1.00000
     78      -8.2394      1.00000
     79      -7.9216      1.00000
     80      -7.7341      1.00000
     81      -7.3798      1.00000
     82      -7.3503      1.00000
     83      -7.3236      1.00000
     84      -7.2175      1.00000
     85      -7.1605      1.00000
     86      -7.0654      1.00000
     87      -6.9610      1.00000
     88      -6.9054      1.00000
     89      -6.6133      1.00000
     90      -6.5568      1.00000
     91      -6.2709      1.00000
     92      -5.9967      1.00000
     93      -5.9595      1.00000
     94      -5.6753      1.00000
     95      -5.6487      1.00000
     96      -5.3875      1.00000
     97      -5.3151      1.00000
     98      -5.2940      1.00000
     99      -5.2121      1.00000
    100      -5.2004      1.00000
    101      -4.5115      1.00000
    102      -4.3387      1.00000
    103      -3.9965      1.00000
    104      -3.8859      1.00000
    105      -3.7929      1.00000
    106      -3.4433      1.00000
    107      -2.0345      0.00000
    108      -1.8633      0.00000
    109      -1.2176      0.00000
    110      -1.1841      0.00000
    111      -1.0358      0.00000
    112      -0.7722      0.00000
    113      -0.6772      0.00000
    114      -0.6599      0.00000
    115      -0.6096      0.00000
    116      -0.1017      0.00000
    117       0.2226      0.00000
    118       0.2397      0.00000
    119       0.7693      0.00000
    120       0.9836      0.00000
    121       1.0739      0.00000
    122       1.2414      0.00000
    123       1.2511      0.00000
    124       1.3407      0.00000
    125       1.5780      0.00000
    126       1.5852      0.00000
    127       1.7008      0.00000
    128       1.7974      0.00000
    129       1.9456      0.00000
    130       1.9601      0.00000
    131       2.0864      0.00000
    132       2.2963      0.00000
    133       2.3423      0.00000
    134       2.4156      0.00000
    135       2.5426      0.00000
    136       2.6280      0.00000
    137       2.7686      0.00000
    138       2.8295      0.00000
    139       2.8427      0.00000
    140       2.8639      0.00000
    141       3.0423      0.00000
    142       3.0993      0.00000
    143       3.1513      0.00000
    144       3.2201      0.00000
    145       3.3758      0.00000
    146       3.4147      0.00000
    147       3.5019      0.00000
    148       3.5456      0.00000
    149       3.5909      0.00000
    150       3.6080      0.00000
    151       3.6475      0.00000
    152       3.7346      0.00000
    153       3.7447      0.00000
    154       3.7764      0.00000
    155       3.8182      0.00000
    156       3.8790      0.00000
    157       4.0245      0.00000
    158       4.0855      0.00000
    159       4.1673      0.00000
    160       4.2105      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0417   -7.3901    4.1982   -1.2758   -0.2386   17.5938    0.1473   -0.5324    0.6338   -0.4648
x    -3.0926   -0.0374   -0.0631    0.0616   -0.0091   -2.9773   -0.0109   -0.0070    0.0049    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0417    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0940   -0.0087    0.0374    0.0377
y    -0.0458   -3.2478   -0.5380   -0.1636   -1.1810   -0.6054
z   204.0417    1.1260   -0.2804    0.0408    0.0090    0.0616    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0777    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1654
z    -0.2831    0.1873   -0.0390    0.0470   -0.1050    0.0013
 total charge-density along one line
x   212.0000  -10.2204    6.1463   -2.0858   -0.4744   19.5111   -0.9959    0.4742   -0.0449   -0.1261
x    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2204    6.1463   -2.0858   -0.4744   19.5111   -0.9959    0.4742   -0.0449   -0.1261
y    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4925  189.2923 -170.3679  153.6508 -139.4374  125.4336 -110.1199   93.9732  -78.3593
z    64.1500  -51.4977   40.4325  -31.2272   24.1311  -18.9485   15.0350  -11.7219    8.7174   -6.1226
z     4.1324   -2.7605    1.8231   -1.1123    0.5409   -0.1279   -0.1105    0.2272   -0.3090    0.4000
z    -0.4767    0.4932   -0.4398    0.3547   -0.2860    0.2512   -0.2335    0.2088   -0.1709    0.1317
z    -0.1037    0.0880   -0.0768    0.0637   -0.0490    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0074    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.030   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.585  -0.238   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.368  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.263   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.261   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.649
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.781   0.000   2.640
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.783   0.000   2.647
 28        0.864   1.785   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.785   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.646
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.860   1.781   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.649
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.870  89.435   8.029 142.334
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  111.77: CPU time   56.64
    FORLOC:  VPU time    1.24: CPU time    1.25
    FORNL :  VPU time  439.68: CPU time  221.06
    STRESS:  VPU time 1320.13: CPU time  666.10
    FORCOR:  VPU time    8.66: CPU time    8.66
    FORHAR:  VPU time    2.30: CPU time    2.30
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force =-0.7164705E-07[-0.702E-07,-0.731E-07]  d Energy = 0.1347235E-06-0.206E-06
 d Force =-0.3991452E-02[-0.399E-02,-0.399E-02]  d Ewald  = 0.3544827E-01-0.394E-01


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726417 eV

  energy  without entropy=     -471.726417  energy(sigma->0) =     -471.726417
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40850.05  40804.56 -47548.88    -39.40      0.00      0.00
  Hartree  40274.07  40254.98 -39532.82    -16.53      0.00      0.00
  E(xc)     -779.46   -779.75   -807.39     -0.25      0.00      0.00
  Local   -83408.10 -83352.54  84396.43     48.12      0.00      0.00
  n-local   -216.85   -215.73   -203.41      0.70      0.00      0.00
  augment     20.05     22.04     17.81      1.73      0.00      0.00
  Kinetic   3162.58   3176.29   3584.10      3.52      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.00      0.05     -0.22      0.04      0.00      0.00
  in kB        0.00      0.03     -0.14      0.02      0.00      0.00
  external pressure =       -0.04 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345137569  0.000688800  0.000000000     0.081000944  0.046759958  0.000000000
    -6.171978909 10.691543226  0.000000000    -0.000005218  0.093528855  0.000000000
     0.000000000  0.000000000 19.986403418     0.000000000  0.000000000  0.050034015

  length of vectors
    12.345137588 12.345137513 19.986403418     0.093528854  0.093528855  0.050034015


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.477E-05 -.490E-04 -.951E+03   0.448E-05 -.278E-04 0.960E+03   0.509E-20 0.170E-20 -.869E+01   0.137E-09 0.577E-10 -.475E-03
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   0.718E-05 -.489E-05 -.264E-04
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   -.718E-05 0.489E-05 -.264E-04
   -.206E+01 0.119E+01 0.163E+02   0.206E+01 -.119E+01 -.162E+02   -.327E-02 0.189E-02 -.242E-01   0.145E-04 -.114E-04 0.137E-04
   0.616E+01 0.684E+01 0.194E+02   -.616E+01 -.686E+01 -.193E+02   0.847E-03 0.215E-01 -.272E-01   -.182E-04 0.338E-04 0.113E-04
   0.112E+02 0.510E+01 0.162E+02   -.112E+02 -.510E+01 -.161E+02   0.202E-01 0.845E-02 -.479E-01   0.887E-05 -.131E-04 0.473E-05
   0.471E+01 -.883E+00 0.126E+02   -.473E+01 0.892E+00 -.126E+02   0.146E-01 -.735E-02 -.175E-01   -.632E-05 -.472E-05 -.496E-05
   -.308E+01 -.252E+01 0.126E+02   0.308E+01 0.252E+01 -.126E+02   -.141E-02 0.273E-02 -.130E-01   0.559E-05 -.128E-04 0.706E-05
   0.645E+00 0.393E+01 0.126E+02   -.646E+00 -.393E+01 -.126E+02   -.307E-02 -.142E-03 -.130E-01   0.837E-05 -.461E-05 0.379E-05
   0.242E+01 0.189E+02 0.240E+02   -.242E+01 -.190E+02 -.240E+02   -.234E-02 0.103E+00 -.486E-01   -.157E-04 -.365E-04 0.197E-05
   0.226E+02 0.214E+02 0.423E+02   -.227E+02 -.216E+02 -.422E+02   0.771E-01 0.262E+00 -.607E-01   0.497E-04 -.106E-04 -.753E-05
   0.268E+02 -.343E+01 0.256E+02   -.271E+02 0.355E+01 -.256E+02   0.269E+00 -.109E+00 -.338E-01   -.192E-04 -.456E-06 -.959E-06
   0.914E+01 -.527E+01 0.136E+02   -.918E+01 0.530E+01 -.136E+02   0.422E-01 -.244E-01 -.121E-01   -.198E-04 0.502E-05 0.898E-05
   0.312E+01 -.364E+01 0.126E+02   -.314E+01 0.365E+01 -.126E+02   0.137E-01 -.899E-02 -.175E-01   -.131E-05 0.355E-05 -.125E-04
   -.593E+01 0.136E+02 0.161E+02   0.593E+01 -.137E+02 -.161E+02   -.113E-02 0.715E-01 -.520E-01   0.424E-05 0.169E-04 -.500E-05
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.315E-01 0.613E+00 0.294E+00   -.117E-04 0.171E-04 -.209E-04
   0.236E+02 -.136E+02 0.940E+02   -.243E+02 0.140E+02 -.961E+02   0.636E+00 -.367E+00 0.205E+01   0.324E-05 -.454E-05 -.876E-05
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.229E+00 -.178E+00 -.338E-01   -.115E-04 0.907E-05 -.533E-05
   0.119E+01 -.122E+02 0.162E+02   -.119E+01 0.123E+02 -.161E+02   0.280E-02 -.217E-01 -.479E-01   0.190E-04 -.228E-05 -.224E-06
   -.414E+01 0.192E+01 0.116E+02   0.414E+01 -.193E+01 -.116E+02   -.260E-03 0.996E-02 -.439E-01   0.164E-04 -.377E-05 -.662E-06
   -.193E+02 0.111E+02 0.217E+02   0.193E+02 -.112E+02 -.217E+02   -.506E-01 0.292E-01 -.433E-01   -.118E-04 0.106E-04 0.909E-05
   -.373E+02 -.785E+01 0.478E+02   0.378E+02 0.813E+01 -.481E+02   -.546E+00 -.279E+00 0.294E+00   -.173E-04 0.840E-06 -.181E-04
   -.718E+01 -.303E+02 0.423E+02   0.736E+01 0.305E+02 -.422E+02   -.188E+00 -.198E+00 -.607E-01   0.373E-04 -.423E-04 -.924E-05
   -.285E+01 -.876E+01 0.194E+02   0.286E+01 0.877E+01 -.193E+02   -.182E-01 -.115E-01 -.272E-01   -.366E-04 -.306E-05 0.107E-04
   0.139E+01 -.801E+00 0.134E+02   -.139E+01 0.803E+00 -.134E+02   0.122E-03 -.704E-04 -.179E-01   0.175E-04 -.799E-05 0.104E-04
   -.374E+01 0.262E+01 0.116E+02   0.374E+01 -.262E+01 -.116E+02   -.875E-02 -.475E-02 -.439E-01   0.134E-04 -.755E-05 0.362E-05
   -.148E+02 -.169E+01 0.161E+02   0.148E+02 0.172E+01 -.161E+02   -.625E-01 -.348E-01 -.520E-01   -.107E-04 -.136E-04 0.191E-05
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.905E-01 -.496E-01 -.486E-01   0.256E-04 0.265E-04 0.458E-05
   0.285E+01 0.876E+01 0.194E+02   -.286E+01 -.877E+01 -.193E+02   0.182E-01 0.115E-01 -.272E-01   0.366E-04 0.306E-05 0.107E-04
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.905E-01 0.496E-01 -.486E-01   -.256E-04 -.265E-04 0.458E-05
   0.148E+02 0.169E+01 0.161E+02   -.148E+02 -.172E+01 -.161E+02   0.625E-01 0.348E-01 -.520E-01   0.107E-04 0.136E-04 0.191E-05
   0.374E+01 -.262E+01 0.116E+02   -.374E+01 0.262E+01 -.116E+02   0.875E-02 0.475E-02 -.439E-01   -.134E-04 0.755E-05 0.362E-05
   -.139E+01 0.801E+00 0.134E+02   0.139E+01 -.803E+00 -.134E+02   -.122E-03 0.704E-04 -.179E-01   -.175E-04 0.799E-05 0.104E-04
   -.119E+01 0.122E+02 0.162E+02   0.119E+01 -.123E+02 -.161E+02   -.280E-02 0.217E-01 -.479E-01   -.190E-04 0.227E-05 -.224E-06
   0.718E+01 0.303E+02 0.423E+02   -.736E+01 -.305E+02 -.422E+02   0.188E+00 0.198E+00 -.607E-01   -.373E-04 0.423E-04 -.924E-05
   0.373E+02 0.785E+01 0.478E+02   -.378E+02 -.813E+01 -.481E+02   0.546E+00 0.279E+00 0.294E+00   0.173E-04 -.841E-06 -.181E-04
   0.193E+02 -.111E+02 0.217E+02   -.193E+02 0.112E+02 -.217E+02   0.506E-01 -.292E-01 -.433E-01   0.118E-04 -.106E-04 0.909E-05
   0.414E+01 -.192E+01 0.116E+02   -.414E+01 0.193E+01 -.116E+02   0.260E-03 -.996E-02 -.439E-01   -.164E-04 0.377E-05 -.662E-06
   -.312E+01 0.364E+01 0.126E+02   0.314E+01 -.365E+01 -.126E+02   -.137E-01 0.899E-02 -.175E-01   0.131E-05 -.355E-05 -.125E-04
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.229E+00 0.178E+00 -.338E-01   0.115E-04 -.907E-05 -.533E-05
   -.236E+02 0.136E+02 0.940E+02   0.243E+02 -.140E+02 -.961E+02   -.636E+00 0.367E+00 0.205E+01   -.324E-05 0.454E-05 -.876E-05
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.315E-01 -.613E+00 0.294E+00   0.117E-04 -.171E-04 -.209E-04
   0.593E+01 -.136E+02 0.161E+02   -.593E+01 0.137E+02 -.161E+02   0.113E-02 -.715E-01 -.520E-01   -.424E-05 -.169E-04 -.500E-05
   -.645E+00 -.393E+01 0.126E+02   0.646E+00 0.393E+01 -.126E+02   0.307E-02 0.142E-03 -.130E-01   -.837E-05 0.461E-05 0.379E-05
   -.914E+01 0.527E+01 0.136E+02   0.918E+01 -.530E+01 -.136E+02   -.422E-01 0.244E-01 -.121E-01   0.198E-04 -.502E-05 0.898E-05
   -.268E+02 0.343E+01 0.256E+02   0.271E+02 -.355E+01 -.256E+02   -.269E+00 0.109E+00 -.338E-01   0.192E-04 0.456E-06 -.959E-06
   -.226E+02 -.214E+02 0.423E+02   0.227E+02 0.216E+02 -.422E+02   -.771E-01 -.262E+00 -.607E-01   -.497E-04 0.106E-04 -.753E-05
   -.242E+01 -.189E+02 0.240E+02   0.242E+01 0.190E+02 -.240E+02   0.234E-02 -.103E+00 -.486E-01   0.157E-04 0.365E-04 0.197E-05
   0.206E+01 -.119E+01 0.163E+02   -.206E+01 0.119E+01 -.162E+02   0.327E-02 -.189E-02 -.242E-01   -.145E-04 0.114E-04 0.137E-04
   0.308E+01 0.252E+01 0.126E+02   -.308E+01 -.252E+01 -.126E+02   0.141E-02 -.273E-02 -.130E-01   -.559E-05 0.128E-04 0.706E-05
   -.471E+01 0.883E+00 0.126E+02   0.473E+01 -.892E+00 -.126E+02   -.146E-01 0.735E-02 -.175E-01   0.632E-05 0.472E-05 -.496E-05
   -.112E+02 -.510E+01 0.162E+02   0.112E+02 0.510E+01 -.161E+02   -.202E-01 -.845E-02 -.479E-01   -.887E-05 0.131E-04 0.473E-05
   -.616E+01 -.684E+01 0.194E+02   0.616E+01 0.686E+01 -.193E+02   -.847E-03 -.215E-01 -.272E-01   0.182E-04 -.338E-04 0.113E-04
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.289E-03 0.101E+02   0.100E-12 -.604E-13 -.139E-12   0.144E-15 -.316E-15 -.100E+02   0.926E-09 -.519E-09 -.533E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85210      6.05884     12.26472         0.000000      0.000000      0.020059
      1.07497      6.50752     13.52422         0.001548     -0.000894      0.008855
      2.62924      5.61016     13.52422        -0.001548      0.000894      0.008855
      0.00015     -0.00009      9.91083        -0.002300      0.001328      0.000098
     -1.23474      2.13683      9.90948        -0.000397      0.001539      0.000042
     -2.46994      4.27634      9.92946        -0.002686      0.002268     -0.000380
     -3.70363      6.41501      9.93717        -0.002033      0.001459     -0.000882
     -4.93735      8.55322      9.92774        -0.004160      0.002119     -0.000495
      2.46916     -0.00006      9.92774        -0.003916      0.002543     -0.000495
      1.23392      2.13662      9.91902        -0.003398      0.001419     -0.001232
     -0.00265      4.27070      9.93152        -0.003672      0.003457     -0.002394
     -1.23832      6.41562      9.95362        -0.000250      0.001302     -0.001128
     -2.46890      8.55357      9.93905        -0.001105      0.000638      0.000607
      4.93776      0.00062      9.93717        -0.002280      0.001031     -0.000882
      3.70409      2.13669      9.94047        -0.001512     -0.000557     -0.001286
      2.46985      4.26841      9.96808        -0.003475      0.000968     -0.002375
      1.22909      6.41854      9.97431        -0.004663      0.002692      0.001523
     -0.00209      8.55684      9.95362        -0.001253     -0.000434     -0.001128
      7.40674      0.00155      9.92946        -0.003307      0.001192     -0.000380
      6.17243      2.13877      9.93579        -0.002976      0.001743     -0.000545
      4.93890      4.27668      9.94852         0.000491     -0.000283     -0.000057
      3.71153      6.41908      9.96808        -0.002576      0.002525     -0.002375
      2.47330      8.55917      9.93152        -0.004830      0.001451     -0.002394
      9.87722      0.00159      9.90948        -0.001532     -0.000426      0.000042
      8.64160      2.13892      9.92067        -0.003163      0.001826      0.000295
      7.40715      4.27737      9.93579        -0.002998      0.001706     -0.000545
      6.17478      6.41605      9.94047        -0.000274      0.001588     -0.001286
      4.93975      8.55531      9.91902        -0.002928      0.002233     -0.001232
     -0.00103      1.42455      9.90948         0.001532      0.000426      0.000042
     -1.23554      3.56237      9.91902         0.002928     -0.002233     -0.001232
     -2.47057      5.70163      9.94047         0.000274     -0.001588     -0.001286
     -3.70294      7.84031      9.93579         0.002998     -0.001706     -0.000545
     -4.93739      9.97876      9.92067         0.003163     -0.001826      0.000295
      2.46944      1.42459      9.92946         0.003307     -0.001192     -0.000380
      1.23091      3.55851      9.93152         0.004830     -0.001451     -0.002394
     -0.00732      5.69860      9.96808         0.002576     -0.002525     -0.002375
     -1.23469      7.84100      9.94852        -0.000491      0.000283     -0.000057
     -2.46822      9.97891      9.93579         0.002976     -0.001743     -0.000545
      4.93843      1.42552      9.93717         0.002280     -0.001031     -0.000882
      3.70630      3.56084      9.95362         0.001253      0.000434     -0.001128
      2.47512      5.69914      9.97431         0.004663     -0.002692      0.001523
      1.23436      7.84927      9.96808         0.003475     -0.000968     -0.002375
      0.00012      9.98099      9.94047         0.001512      0.000557     -0.001286
      7.40703      1.42619      9.92774         0.003916     -0.002543     -0.000495
      6.17311      3.56411      9.93905         0.001105     -0.000638      0.000607
      4.94253      5.70206      9.95362         0.000250     -0.001302     -0.001128
      3.70686      7.84697      9.93152         0.003672     -0.003457     -0.002394
      2.47029      9.98106      9.91902         0.003398     -0.001419     -0.001232
      9.87604      1.42622      9.91083         0.002300     -0.001328      0.000098
      8.64156      3.56446      9.92774         0.004160     -0.002119     -0.000495
      7.40784      5.70267      9.93717         0.002033     -0.001459     -0.000882
      6.17415      7.84134      9.92946         0.002686     -0.002268     -0.000380
      4.93895      9.98085      9.90948         0.000397     -0.001539      0.000042
 -----------------------------------------------------------------------------------
    total drift:                               -0.001802      0.000289      0.016072


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.96: CPU time    1.96
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.35
    ORTHCH:  VPU time  181.93: CPU time   91.27
     LOOP+:  VPU time 4830.23: CPU time 2487.45


----------------------------------------- Iteration   31(   1)  ---------------------------------------


    POTLOK:  VPU time    9.35: CPU time    9.16
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1319.74: CPU time  685.28
 BZINTS: Fermi energy: -3.185552;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.54: CPU time   58.41
    MIXING:  VPU time    0.17: CPU time    0.17
    ------------------------------------------
      LOOP:  VPU time 1445.20: CPU time  753.38

 eigenvalue-minimisations  :  3792
 total energy-change (2. order) :-0.4717264E+03  (-0.2559571E-08)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583453 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.16981E-04    rms(broyden)= 0.16980E-04
  rms(prec ) = 0.19820E-04
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34105.73809936
  -1/2 Hartree   DENC   =    -40996.22681949
  -V(xc)+E(xc)   XCENC  =       726.60507112
  PAW double counting   =      4094.27255923    -4132.62039241
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.93478890
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641749 eV

  energy without entropy =     -471.72641749  energy(sigma->0) =     -471.72641749


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   31(   2)  ---------------------------------------


    POTLOK:  VPU time    9.20: CPU time    9.20
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1320.53: CPU time  685.89
 BZINTS: Fermi energy: -3.185630;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1330.15: CPU time  695.47

 eigenvalue-minimisations  :  3840
 total energy-change (2. order) :-0.1736771E-07  ( 0.1488261E-08)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583453 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34105.73809936
  -1/2 Hartree   DENC   =    -40996.22432022
  -V(xc)+E(xc)   XCENC  =       726.60501153
  PAW double counting   =      4094.27173661    -4132.61957652
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.93722187
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641751 eV

  energy without entropy =     -471.72641751  energy(sigma->0) =     -471.72641751


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2179       2 -39.5362       3 -39.5363       4 -58.3138       5 -58.3178
       6 -58.3203       7 -58.3148       8 -58.3152       9 -58.3151      10 -58.3216
      11 -58.3878      12 -58.3517      13 -58.3231      14 -58.3148      15 -58.3247
      16 -58.5427      17 -58.7298      18 -58.3517      19 -58.3203      20 -58.3200
      21 -58.3579      22 -58.5427      23 -58.3878      24 -58.3178      25 -58.3230
      26 -58.3200      27 -58.3247      28 -58.3217      29 -58.3177      30 -58.3215
      31 -58.3246      32 -58.3199      33 -58.3229      34 -58.3202      35 -58.3877
      36 -58.5426      37 -58.3578      38 -58.3199      39 -58.3147      40 -58.3516
      41 -58.7297      42 -58.5427      43 -58.3246      44 -58.3151      45 -58.3230
      46 -58.3516      47 -58.3877      48 -58.3215      49 -58.3137      50 -58.3150
      51 -58.3147      52 -58.3202      53 -58.3177
 
 
 
 E-fermi :  -3.1856     XC(G=0):  -2.3449     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4276      1.00000
      2     -21.6043      1.00000
      3     -21.4826      1.00000
      4     -21.4735      1.00000
      5     -21.4419      1.00000
      6     -21.4412      1.00000
      7     -21.4310      1.00000
      8     -19.7085      1.00000
      9     -19.6536      1.00000
     10     -19.6303      1.00000
     11     -19.6192      1.00000
     12     -19.6140      1.00000
     13     -19.6129      1.00000
     14     -18.7906      1.00000
     15     -18.7555      1.00000
     16     -18.7356      1.00000
     17     -18.7261      1.00000
     18     -18.7190      1.00000
     19     -18.7137      1.00000
     20     -16.6354      1.00000
     21     -16.6095      1.00000
     22     -16.5852      1.00000
     23     -16.5817      1.00000
     24     -16.5548      1.00000
     25     -16.5531      1.00000
     26     -15.6154      1.00000
     27     -15.6027      1.00000
     28     -15.5994      1.00000
     29     -15.5653      1.00000
     30     -15.5635      1.00000
     31     -15.5626      1.00000
     32     -14.2603      1.00000
     33     -14.2510      1.00000
     34     -14.2411      1.00000
     35     -14.2361      1.00000
     36     -14.2229      1.00000
     37     -14.2200      1.00000
     38     -11.9060      1.00000
     39     -11.8791      1.00000
     40     -11.8679      1.00000
     41     -11.8658      1.00000
     42     -11.8450      1.00000
     43     -11.8449      1.00000
     44     -11.7715      1.00000
     45     -11.7689      1.00000
     46     -11.7361      1.00000
     47     -11.7295      1.00000
     48     -11.7253      1.00000
     49     -11.7228      1.00000
     50     -10.6766      1.00000
     51     -10.3890      1.00000
     52     -10.3840      1.00000
     53     -10.3771      1.00000
     54     -10.3692      1.00000
     55     -10.3560      1.00000
     56     -10.3539      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4060      1.00000
     60      -9.3629      1.00000
     61      -9.3624      1.00000
     62      -9.3545      1.00000
     63      -9.1426      1.00000
     64      -9.1220      1.00000
     65      -9.1212      1.00000
     66      -9.0849      1.00000
     67      -9.0719      1.00000
     68      -9.0713      1.00000
     69      -9.0711      1.00000
     70      -9.0642      1.00000
     71      -9.0642      1.00000
     72      -9.0385      1.00000
     73      -9.0289      1.00000
     74      -9.0257      1.00000
     75      -8.1301      1.00000
     76      -7.7457      1.00000
     77      -7.4688      1.00000
     78      -7.4666      1.00000
     79      -7.4538      1.00000
     80      -7.4342      1.00000
     81      -7.4247      1.00000
     82      -7.4066      1.00000
     83      -7.3130      1.00000
     84      -7.2712      1.00000
     85      -7.2576      1.00000
     86      -7.2491      1.00000
     87      -7.1507      1.00000
     88      -7.0494      1.00000
     89      -6.4463      1.00000
     90      -6.4161      1.00000
     91      -6.4005      1.00000
     92      -6.3638      1.00000
     93      -6.3531      1.00000
     94      -6.3408      1.00000
     95      -5.9584      1.00000
     96      -5.9582      1.00000
     97      -4.8064      1.00000
     98      -4.5444      1.00000
     99      -4.4814      1.00000
    100      -4.4744      1.00000
    101      -4.3823      1.00000
    102      -4.3817      1.00000
    103      -4.2678      1.00000
    104      -4.1872      1.00000
    105      -3.7392      1.00000
    106      -3.4776      1.00000
    107      -1.8619      0.00000
    108      -1.6706      0.00000
    109      -1.6241      0.00000
    110      -1.5913      0.00000
    111      -1.5758      0.00000
    112      -1.5749      0.00000
    113      -0.4288      0.00000
    114       0.1458      0.00000
    115       0.1921      0.00000
    116       0.2557      0.00000
    117       0.2675      0.00000
    118       0.2714      0.00000
    119       0.4771      0.00000
    120       0.5478      0.00000
    121       1.2476      0.00000
    122       1.2900      0.00000
    123       1.5358      0.00000
    124       1.7712      0.00000
    125       1.7740      0.00000
    126       1.7745      0.00000
    127       1.7965      0.00000
    128       1.8297      0.00000
    129       1.9587      0.00000
    130       1.9689      0.00000
    131       1.9746      0.00000
    132       1.9893      0.00000
    133       1.9965      0.00000
    134       2.0786      0.00000
    135       2.2500      0.00000
    136       2.3446      0.00000
    137       2.6095      0.00000
    138       2.6110      0.00000
    139       2.6380      0.00000
    140       2.7077      0.00000
    141       2.9354      0.00000
    142       3.0430      0.00000
    143       3.0598      0.00000
    144       3.0935      0.00000
    145       3.0960      0.00000
    146       3.1018      0.00000
    147       3.1030      0.00000
    148       3.2757      0.00000
    149       3.4488      0.00000
    150       3.5066      0.00000
    151       3.8217      0.00000
    152       3.9535      0.00000
    153       3.9568      0.00000
    154       3.9573      0.00000
    155       3.9626      0.00000
    156       3.9968      0.00000
    157       4.1859      0.00000
    158       4.2623      0.00000
    159       4.2745      0.00000
    160       4.2837      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8317      1.00000
      3     -21.6394      1.00000
      4     -21.6116      1.00000
      5     -21.2758      1.00000
      6     -21.2364      1.00000
      7     -21.0580      1.00000
      8     -20.1687      1.00000
      9     -20.1305      1.00000
     10     -19.6096      1.00000
     11     -19.5985      1.00000
     12     -19.4181      1.00000
     13     -19.0906      1.00000
     14     -19.0609      1.00000
     15     -19.0498      1.00000
     16     -19.0424      1.00000
     17     -18.3615      1.00000
     18     -18.3531      1.00000
     19     -18.0198      1.00000
     20     -17.0698      1.00000
     21     -17.0310      1.00000
     22     -16.9445      1.00000
     23     -16.9406      1.00000
     24     -16.4685      1.00000
     25     -16.4638      1.00000
     26     -15.6149      1.00000
     27     -15.6081      1.00000
     28     -15.2533      1.00000
     29     -15.2442      1.00000
     30     -15.1854      1.00000
     31     -15.0985      1.00000
     32     -15.0716      1.00000
     33     -14.6992      1.00000
     34     -14.6972      1.00000
     35     -13.7270      1.00000
     36     -13.7245      1.00000
     37     -13.2362      1.00000
     38     -12.6145      1.00000
     39     -12.5843      1.00000
     40     -12.4548      1.00000
     41     -12.4512      1.00000
     42     -12.1096      1.00000
     43     -12.1050      1.00000
     44     -11.7178      1.00000
     45     -11.6869      1.00000
     46     -11.2354      1.00000
     47     -11.2262      1.00000
     48     -11.0181      1.00000
     49     -11.0102      1.00000
     50     -10.9272      1.00000
     51     -10.9057      1.00000
     52     -10.6316      1.00000
     53     -10.1553      1.00000
     54     -10.1513      1.00000
     55     -10.0920      1.00000
     56      -9.9990      1.00000
     57      -9.7033      1.00000
     58      -9.6953      1.00000
     59      -9.6565      1.00000
     60      -9.5922      1.00000
     61      -9.5771      1.00000
     62      -9.5591      1.00000
     63      -9.3074      1.00000
     64      -9.3036      1.00000
     65      -9.2746      1.00000
     66      -9.2370      1.00000
     67      -9.1372      1.00000
     68      -9.1153      1.00000
     69      -9.1116      1.00000
     70      -8.9402      1.00000
     71      -8.8725      1.00000
     72      -8.6046      1.00000
     73      -8.5910      1.00000
     74      -8.2367      1.00000
     75      -8.1006      1.00000
     76      -7.9135      1.00000
     77      -7.8640      1.00000
     78      -7.7718      1.00000
     79      -7.7570      1.00000
     80      -7.6923      1.00000
     81      -7.5607      1.00000
     82      -7.3389      1.00000
     83      -7.3229      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0125      1.00000
     88      -6.7047      1.00000
     89      -6.6783      1.00000
     90      -6.6413      1.00000
     91      -6.5979      1.00000
     92      -6.1159      1.00000
     93      -6.0624      1.00000
     94      -6.0313      1.00000
     95      -6.0116      1.00000
     96      -5.7834      1.00000
     97      -4.9745      1.00000
     98      -4.8321      1.00000
     99      -4.7471      1.00000
    100      -4.6795      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1719      1.00000
    104      -4.1280      1.00000
    105      -3.7296      1.00000
    106      -3.4877      1.00000
    107      -1.8703      0.00000
    108      -1.8089      0.00000
    109      -1.5243      0.00000
    110      -1.3775      0.00000
    111      -1.3214      0.00000
    112      -1.2880      0.00000
    113      -0.7199      0.00000
    114      -0.3759      0.00000
    115      -0.2499      0.00000
    116       0.0369      0.00000
    117       0.5557      0.00000
    118       0.6984      0.00000
    119       0.7464      0.00000
    120       1.0480      0.00000
    121       1.1000      0.00000
    122       1.1497      0.00000
    123       1.2274      0.00000
    124       1.3775      0.00000
    125       1.5234      0.00000
    126       1.5824      0.00000
    127       1.7150      0.00000
    128       1.8122      0.00000
    129       1.8575      0.00000
    130       1.8816      0.00000
    131       2.0959      0.00000
    132       2.1867      0.00000
    133       2.2410      0.00000
    134       2.3057      0.00000
    135       2.5127      0.00000
    136       2.5885      0.00000
    137       2.6366      0.00000
    138       2.7781      0.00000
    139       2.7942      0.00000
    140       2.8259      0.00000
    141       2.8567      0.00000
    142       2.8991      0.00000
    143       2.9412      0.00000
    144       3.0801      0.00000
    145       3.1530      0.00000
    146       3.3164      0.00000
    147       3.3805      0.00000
    148       3.4272      0.00000
    149       3.4650      0.00000
    150       3.6149      0.00000
    151       3.6453      0.00000
    152       3.6644      0.00000
    153       3.7109      0.00000
    154       3.9090      0.00000
    155       3.9591      0.00000
    156       4.0158      0.00000
    157       4.0667      0.00000
    158       4.2351      0.00000
    159       4.2494      0.00000
    160       4.2753      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2849      1.00000
      2     -22.0793      1.00000
      3     -21.7179      1.00000
      4     -21.6860      1.00000
      5     -20.9806      1.00000
      6     -20.9400      1.00000
      7     -20.6129      1.00000
      8     -20.5763      1.00000
      9     -20.5700      1.00000
     10     -20.0337      1.00000
     11     -19.5044      1.00000
     12     -19.4926      1.00000
     13     -19.3078      1.00000
     14     -19.3026      1.00000
     15     -18.4485      1.00000
     16     -18.4118      1.00000
     17     -17.9230      1.00000
     18     -17.9137      1.00000
     19     -17.7623      1.00000
     20     -17.7266      1.00000
     21     -17.4365      1.00000
     22     -17.4292      1.00000
     23     -17.3415      1.00000
     24     -16.4635      1.00000
     25     -16.4623      1.00000
     26     -15.9678      1.00000
     27     -15.4151      1.00000
     28     -15.4096      1.00000
     29     -15.0973      1.00000
     30     -15.0938      1.00000
     31     -14.8555      1.00000
     32     -14.8478      1.00000
     33     -14.2908      1.00000
     34     -14.2579      1.00000
     35     -13.4370      1.00000
     36     -13.4045      1.00000
     37     -13.1779      1.00000
     38     -13.1746      1.00000
     39     -12.9826      1.00000
     40     -12.9777      1.00000
     41     -12.6134      1.00000
     42     -12.6103      1.00000
     43     -12.1981      1.00000
     44     -11.5771      1.00000
     45     -11.5433      1.00000
     46     -11.3112      1.00000
     47     -11.2884      1.00000
     48     -11.1423      1.00000
     49     -10.6767      1.00000
     50     -10.6607      1.00000
     51     -10.5536      1.00000
     52     -10.3237      1.00000
     53     -10.3181      1.00000
     54     -10.1699      1.00000
     55     -10.1156      1.00000
     56     -10.1130      1.00000
     57      -9.7987      1.00000
     58      -9.7651      1.00000
     59      -9.7523      1.00000
     60      -9.7004      1.00000
     61      -9.6972      1.00000
     62      -9.6626      1.00000
     63      -9.3546      1.00000
     64      -9.3518      1.00000
     65      -9.3158      1.00000
     66      -9.0415      1.00000
     67      -8.9623      1.00000
     68      -8.9499      1.00000
     69      -8.8000      1.00000
     70      -8.5952      1.00000
     71      -8.5581      1.00000
     72      -8.3988      1.00000
     73      -8.3653      1.00000
     74      -8.3247      1.00000
     75      -8.3072      1.00000
     76      -8.2590      1.00000
     77      -8.2574      1.00000
     78      -8.2365      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3866      1.00000
     83      -7.3495      1.00000
     84      -7.2309      1.00000
     85      -7.0967      1.00000
     86      -7.0391      1.00000
     87      -6.9342      1.00000
     88      -6.8483      1.00000
     89      -6.6127      1.00000
     90      -6.5587      1.00000
     91      -6.2698      1.00000
     92      -6.0440      1.00000
     93      -5.9518      1.00000
     94      -5.6629      1.00000
     95      -5.6228      1.00000
     96      -5.4633      1.00000
     97      -5.3201      1.00000
     98      -5.2789      1.00000
     99      -5.2139      1.00000
    100      -5.1939      1.00000
    101      -4.5084      1.00000
    102      -4.2076      1.00000
    103      -4.0593      1.00000
    104      -3.9892      1.00000
    105      -3.6943      1.00000
    106      -3.4980      1.00000
    107      -1.9462      0.00000
    108      -1.8963      0.00000
    109      -1.3390      0.00000
    110      -1.0848      0.00000
    111      -1.0582      0.00000
    112      -0.8003      0.00000
    113      -0.6776      0.00000
    114      -0.6468      0.00000
    115      -0.6072      0.00000
    116      -0.1080      0.00000
    117       0.2156      0.00000
    118       0.3292      0.00000
    119       0.6941      0.00000
    120       0.8875      0.00000
    121       1.1273      0.00000
    122       1.1992      0.00000
    123       1.3262      0.00000
    124       1.4206      0.00000
    125       1.5543      0.00000
    126       1.5763      0.00000
    127       1.6794      0.00000
    128       1.8075      0.00000
    129       1.8813      0.00000
    130       2.0547      0.00000
    131       2.1215      0.00000
    132       2.3249      0.00000
    133       2.3582      0.00000
    134       2.3956      0.00000
    135       2.5454      0.00000
    136       2.6300      0.00000
    137       2.7291      0.00000
    138       2.7545      0.00000
    139       2.8229      0.00000
    140       2.8795      0.00000
    141       3.0460      0.00000
    142       3.0557      0.00000
    143       3.1623      0.00000
    144       3.2633      0.00000
    145       3.3607      0.00000
    146       3.4150      0.00000
    147       3.4321      0.00000
    148       3.5648      0.00000
    149       3.5819      0.00000
    150       3.5983      0.00000
    151       3.6595      0.00000
    152       3.6744      0.00000
    153       3.7791      0.00000
    154       3.7992      0.00000
    155       3.8044      0.00000
    156       3.8923      0.00000
    157       3.9211      0.00000
    158       3.9933      0.00000
    159       4.2135      0.00000
    160       4.2248      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.9641      1.00000
      3     -21.8949      1.00000
      4     -21.3822      1.00000
      5     -21.3529      1.00000
      6     -20.8408      1.00000
      7     -20.7756      1.00000
      8     -20.6252      1.00000
      9     -20.0787      1.00000
     10     -20.0730      1.00000
     11     -19.7178      1.00000
     12     -19.6933      1.00000
     13     -18.9974      1.00000
     14     -18.9915      1.00000
     15     -18.6416      1.00000
     16     -18.6257      1.00000
     17     -18.4630      1.00000
     18     -17.6760      1.00000
     19     -17.6256      1.00000
     20     -17.6228      1.00000
     21     -17.5809      1.00000
     22     -17.1273      1.00000
     23     -17.1058      1.00000
     24     -16.9627      1.00000
     25     -16.0023      1.00000
     26     -15.9305      1.00000
     27     -15.5865      1.00000
     28     -15.5861      1.00000
     29     -15.2876      1.00000
     30     -14.8647      1.00000
     31     -14.8375      1.00000
     32     -14.5795      1.00000
     33     -14.5376      1.00000
     34     -14.1693      1.00000
     35     -14.1558      1.00000
     36     -13.1484      1.00000
     37     -13.1012      1.00000
     38     -13.0301      1.00000
     39     -13.0200      1.00000
     40     -12.7094      1.00000
     41     -12.7053      1.00000
     42     -12.3422      1.00000
     43     -12.3110      1.00000
     44     -11.6365      1.00000
     45     -11.6229      1.00000
     46     -11.5727      1.00000
     47     -10.9501      1.00000
     48     -10.9170      1.00000
     49     -10.6329      1.00000
     50     -10.6248      1.00000
     51     -10.5479      1.00000
     52     -10.5002      1.00000
     53     -10.4999      1.00000
     54     -10.4399      1.00000
     55     -10.3607      1.00000
     56     -10.1001      1.00000
     57      -9.9042      1.00000
     58      -9.6087      1.00000
     59      -9.5565      1.00000
     60      -9.4529      1.00000
     61      -9.4125      1.00000
     62      -9.4056      1.00000
     63      -9.3775      1.00000
     64      -9.3772      1.00000
     65      -9.2880      1.00000
     66      -9.1690      1.00000
     67      -9.1435      1.00000
     68      -9.1151      1.00000
     69      -8.8651      1.00000
     70      -8.8576      1.00000
     71      -8.8157      1.00000
     72      -8.5975      1.00000
     73      -8.4805      1.00000
     74      -8.1991      1.00000
     75      -8.1636      1.00000
     76      -8.0093      1.00000
     77      -7.9640      1.00000
     78      -7.8507      1.00000
     79      -7.8406      1.00000
     80      -7.7044      1.00000
     81      -7.6970      1.00000
     82      -7.6224      1.00000
     83      -7.4490      1.00000
     84      -7.3009      1.00000
     85      -7.2532      1.00000
     86      -6.9065      1.00000
     87      -6.8927      1.00000
     88      -6.5890      1.00000
     89      -6.5515      1.00000
     90      -6.4062      1.00000
     91      -6.2537      1.00000
     92      -6.2330      1.00000
     93      -6.2055      1.00000
     94      -6.0232      1.00000
     95      -5.5502      1.00000
     96      -5.4891      1.00000
     97      -5.3505      1.00000
     98      -5.2198      1.00000
     99      -4.9795      1.00000
    100      -4.7326      1.00000
    101      -4.6781      1.00000
    102      -4.3875      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5464      1.00000
    106      -3.5100      1.00000
    107      -2.2563      0.00000
    108      -1.4565      0.00000
    109      -1.3712      0.00000
    110      -1.2418      0.00000
    111      -1.0979      0.00000
    112      -0.9450      0.00000
    113      -0.8637      0.00000
    114      -0.8032      0.00000
    115      -0.1393      0.00000
    116       0.1111      0.00000
    117       0.2408      0.00000
    118       0.3777      0.00000
    119       0.6516      0.00000
    120       0.8359      0.00000
    121       0.9366      0.00000
    122       1.0637      0.00000
    123       1.2333      0.00000
    124       1.4478      0.00000
    125       1.5503      0.00000
    126       1.7664      0.00000
    127       1.7928      0.00000
    128       1.8718      0.00000
    129       1.9691      0.00000
    130       2.0436      0.00000
    131       2.1758      0.00000
    132       2.1923      0.00000
    133       2.4102      0.00000
    134       2.4557      0.00000
    135       2.5275      0.00000
    136       2.6043      0.00000
    137       2.6375      0.00000
    138       2.6956      0.00000
    139       2.7753      0.00000
    140       2.8335      0.00000
    141       2.9489      0.00000
    142       3.0810      0.00000
    143       3.2008      0.00000
    144       3.2066      0.00000
    145       3.2548      0.00000
    146       3.3242      0.00000
    147       3.3247      0.00000
    148       3.4656      0.00000
    149       3.4993      0.00000
    150       3.6980      0.00000
    151       3.7107      0.00000
    152       3.7258      0.00000
    153       3.8575      0.00000
    154       3.9118      0.00000
    155       3.9441      0.00000
    156       3.9802      0.00000
    157       4.0119      0.00000
    158       4.0339      0.00000
    159       4.0485      0.00000
    160       4.0634      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2118      1.00000
      2     -22.1189      1.00000
      3     -21.9581      1.00000
      4     -21.4057      1.00000
      5     -21.0510      1.00000
      6     -21.0151      1.00000
      7     -20.5019      1.00000
      8     -20.4624      1.00000
      9     -20.2961      1.00000
     10     -20.2767      1.00000
     11     -19.9587      1.00000
     12     -19.8930      1.00000
     13     -18.8835      1.00000
     14     -18.8148      1.00000
     15     -18.3538      1.00000
     16     -18.3075      1.00000
     17     -18.1540      1.00000
     18     -18.1368      1.00000
     19     -17.8276      1.00000
     20     -17.7900      1.00000
     21     -17.2525      1.00000
     22     -17.2425      1.00000
     23     -17.1655      1.00000
     24     -17.1337      1.00000
     25     -16.1109      1.00000
     26     -15.8865      1.00000
     27     -15.8711      1.00000
     28     -15.8349      1.00000
     29     -15.2371      1.00000
     30     -14.5559      1.00000
     31     -14.5280      1.00000
     32     -14.2808      1.00000
     33     -13.9644      1.00000
     34     -13.9569      1.00000
     35     -13.8208      1.00000
     36     -13.8051      1.00000
     37     -13.6153      1.00000
     38     -13.5715      1.00000
     39     -13.3710      1.00000
     40     -12.6354      1.00000
     41     -12.1816      1.00000
     42     -12.1336      1.00000
     43     -12.0729      1.00000
     44     -12.0207      1.00000
     45     -11.6701      1.00000
     46     -11.6566      1.00000
     47     -11.1395      1.00000
     48     -11.1189      1.00000
     49     -10.7954      1.00000
     50     -10.7318      1.00000
     51     -10.5294      1.00000
     52     -10.2091      1.00000
     53     -10.2063      1.00000
     54     -10.1654      1.00000
     55     -10.0183      1.00000
     56     -10.0049      1.00000
     57      -9.9912      1.00000
     58      -9.8018      1.00000
     59      -9.7980      1.00000
     60      -9.7627      1.00000
     61      -9.7579      1.00000
     62      -9.4552      1.00000
     63      -9.4180      1.00000
     64      -9.0810      1.00000
     65      -9.0728      1.00000
     66      -9.0412      1.00000
     67      -8.9558      1.00000
     68      -8.8778      1.00000
     69      -8.7126      1.00000
     70      -8.7003      1.00000
     71      -8.5663      1.00000
     72      -8.5435      1.00000
     73      -8.4998      1.00000
     74      -8.4630      1.00000
     75      -8.4538      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0438      1.00000
     79      -7.9160      1.00000
     80      -7.8635      1.00000
     81      -7.6151      1.00000
     82      -7.5489      1.00000
     83      -7.4901      1.00000
     84      -7.2680      1.00000
     85      -6.9954      1.00000
     86      -6.9232      1.00000
     87      -6.8822      1.00000
     88      -6.5327      1.00000
     89      -6.4874      1.00000
     90      -6.4615      1.00000
     91      -6.4104      1.00000
     92      -5.9841      1.00000
     93      -5.8976      1.00000
     94      -5.7847      1.00000
     95      -5.7597      1.00000
     96      -5.4322      1.00000
     97      -5.3294      1.00000
     98      -5.2303      1.00000
     99      -5.2178      1.00000
    100      -5.1885      1.00000
    101      -4.6922      1.00000
    102      -4.4215      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5291      1.00000
    106      -3.2742      1.00000
    107      -2.5311      0.00000
    108      -1.4581      0.00000
    109      -1.2666      0.00000
    110      -1.2029      0.00000
    111      -1.1725      0.00000
    112      -0.7196      0.00000
    113      -0.5034      0.00000
    114      -0.4119      0.00000
    115      -0.3395      0.00000
    116      -0.1459      0.00000
    117      -0.0028      0.00000
    118       0.1939      0.00000
    119       0.5613      0.00000
    120       0.6126      0.00000
    121       0.7962      0.00000
    122       0.9068      0.00000
    123       1.1324      0.00000
    124       1.4933      0.00000
    125       1.6345      0.00000
    126       1.8525      0.00000
    127       1.9266      0.00000
    128       2.1052      0.00000
    129       2.1155      0.00000
    130       2.1481      0.00000
    131       2.1860      0.00000
    132       2.2799      0.00000
    133       2.3370      0.00000
    134       2.4677      0.00000
    135       2.5799      0.00000
    136       2.6569      0.00000
    137       2.8543      0.00000
    138       2.8715      0.00000
    139       2.8934      0.00000
    140       3.0131      0.00000
    141       3.0225      0.00000
    142       3.1401      0.00000
    143       3.1788      0.00000
    144       3.2311      0.00000
    145       3.2726      0.00000
    146       3.2843      0.00000
    147       3.3004      0.00000
    148       3.3465      0.00000
    149       3.4231      0.00000
    150       3.4442      0.00000
    151       3.5519      0.00000
    152       3.6220      0.00000
    153       3.7043      0.00000
    154       3.7282      0.00000
    155       3.7726      0.00000
    156       3.8946      0.00000
    157       3.9386      0.00000
    158       4.0041      0.00000
    159       4.1311      0.00000
    160       4.2226      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3187      1.00000
      2     -21.9657      1.00000
      3     -21.8935      1.00000
      4     -21.3858      1.00000
      5     -21.3494      1.00000
      6     -20.8406      1.00000
      7     -20.7742      1.00000
      8     -20.6262      1.00000
      9     -20.0907      1.00000
     10     -20.0619      1.00000
     11     -19.7195      1.00000
     12     -19.6907      1.00000
     13     -19.0108      1.00000
     14     -18.9797      1.00000
     15     -18.6507      1.00000
     16     -18.6179      1.00000
     17     -18.4616      1.00000
     18     -17.6612      1.00000
     19     -17.6476      1.00000
     20     -17.6114      1.00000
     21     -17.5788      1.00000
     22     -17.1380      1.00000
     23     -17.0980      1.00000
     24     -16.9664      1.00000
     25     -16.0087      1.00000
     26     -15.9239      1.00000
     27     -15.5998      1.00000
     28     -15.5762      1.00000
     29     -15.2803      1.00000
     30     -14.8774      1.00000
     31     -14.8304      1.00000
     32     -14.5753      1.00000
     33     -14.5375      1.00000
     34     -14.1644      1.00000
     35     -14.1603      1.00000
     36     -13.1627      1.00000
     37     -13.0968      1.00000
     38     -13.0237      1.00000
     39     -13.0189      1.00000
     40     -12.7184      1.00000
     41     -12.6952      1.00000
     42     -12.3414      1.00000
     43     -12.3142      1.00000
     44     -11.6318      1.00000
     45     -11.6226      1.00000
     46     -11.5707      1.00000
     47     -10.9412      1.00000
     48     -10.9233      1.00000
     49     -10.6695      1.00000
     50     -10.5901      1.00000
     51     -10.5736      1.00000
     52     -10.5011      1.00000
     53     -10.4897      1.00000
     54     -10.4394      1.00000
     55     -10.3568      1.00000
     56     -10.1044      1.00000
     57      -9.8984      1.00000
     58      -9.6092      1.00000
     59      -9.5519      1.00000
     60      -9.4548      1.00000
     61      -9.4181      1.00000
     62      -9.4099      1.00000
     63      -9.3799      1.00000
     64      -9.3727      1.00000
     65      -9.2681      1.00000
     66      -9.1652      1.00000
     67      -9.1413      1.00000
     68      -9.1159      1.00000
     69      -8.8663      1.00000
     70      -8.8602      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1932      1.00000
     75      -8.1706      1.00000
     76      -8.0761      1.00000
     77      -7.8580      1.00000
     78      -7.8372      1.00000
     79      -7.8242      1.00000
     80      -7.7106      1.00000
     81      -7.6962      1.00000
     82      -7.5977      1.00000
     83      -7.5301      1.00000
     84      -7.3506      1.00000
     85      -7.1679      1.00000
     86      -6.9051      1.00000
     87      -6.8959      1.00000
     88      -6.5928      1.00000
     89      -6.5516      1.00000
     90      -6.4062      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2009      1.00000
     94      -6.0041      1.00000
     95      -5.5319      1.00000
     96      -5.4654      1.00000
     97      -5.3142      1.00000
     98      -5.2096      1.00000
     99      -5.0470      1.00000
    100      -4.7236      1.00000
    101      -4.6716      1.00000
    102      -4.4239      1.00000
    103      -4.1947      1.00000
    104      -3.8428      1.00000
    105      -3.6345      1.00000
    106      -3.4163      1.00000
    107      -2.2925      0.00000
    108      -1.5093      0.00000
    109      -1.2700      0.00000
    110      -1.2623      0.00000
    111      -1.0343      0.00000
    112      -0.9778      0.00000
    113      -0.8681      0.00000
    114      -0.7998      0.00000
    115      -0.2616      0.00000
    116       0.2044      0.00000
    117       0.2396      0.00000
    118       0.3600      0.00000
    119       0.6907      0.00000
    120       0.8942      0.00000
    121       0.9239      0.00000
    122       1.0405      0.00000
    123       1.1668      0.00000
    124       1.5096      0.00000
    125       1.5592      0.00000
    126       1.7101      0.00000
    127       1.7787      0.00000
    128       1.8329      0.00000
    129       1.9619      0.00000
    130       1.9843      0.00000
    131       2.1827      0.00000
    132       2.2614      0.00000
    133       2.4150      0.00000
    134       2.4627      0.00000
    135       2.5249      0.00000
    136       2.6006      0.00000
    137       2.6188      0.00000
    138       2.6990      0.00000
    139       2.7551      0.00000
    140       2.8623      0.00000
    141       3.0358      0.00000
    142       3.0793      0.00000
    143       3.1880      0.00000
    144       3.2426      0.00000
    145       3.2560      0.00000
    146       3.2959      0.00000
    147       3.3517      0.00000
    148       3.4507      0.00000
    149       3.5199      0.00000
    150       3.6917      0.00000
    151       3.7172      0.00000
    152       3.7475      0.00000
    153       3.8300      0.00000
    154       3.8892      0.00000
    155       3.9311      0.00000
    156       3.9781      0.00000
    157       4.0081      0.00000
    158       4.0384      0.00000
    159       4.0446      0.00000
    160       4.0827      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8320      1.00000
      3     -21.6426      1.00000
      4     -21.6076      1.00000
      5     -21.2800      1.00000
      6     -21.2330      1.00000
      7     -21.0576      1.00000
      8     -20.1726      1.00000
      9     -20.1264      1.00000
     10     -19.6179      1.00000
     11     -19.5917      1.00000
     12     -19.4167      1.00000
     13     -19.0955      1.00000
     14     -19.0569      1.00000
     15     -19.0525      1.00000
     16     -19.0397      1.00000
     17     -18.3676      1.00000
     18     -18.3478      1.00000
     19     -18.0175      1.00000
     20     -17.0730      1.00000
     21     -17.0243      1.00000
     22     -16.9503      1.00000
     23     -16.9364      1.00000
     24     -16.4753      1.00000
     25     -16.4633      1.00000
     26     -15.6101      1.00000
     27     -15.6096      1.00000
     28     -15.2504      1.00000
     29     -15.2383      1.00000
     30     -15.1923      1.00000
     31     -15.1022      1.00000
     32     -15.0692      1.00000
     33     -14.6988      1.00000
     34     -14.6978      1.00000
     35     -13.7254      1.00000
     36     -13.7253      1.00000
     37     -13.2359      1.00000
     38     -12.6246      1.00000
     39     -12.5805      1.00000
     40     -12.4555      1.00000
     41     -12.4501      1.00000
     42     -12.1053      1.00000
     43     -12.1003      1.00000
     44     -11.7219      1.00000
     45     -11.6833      1.00000
     46     -11.2456      1.00000
     47     -11.2249      1.00000
     48     -11.0182      1.00000
     49     -11.0065      1.00000
     50     -10.9280      1.00000
     51     -10.8994      1.00000
     52     -10.6376      1.00000
     53     -10.1729      1.00000
     54     -10.1499      1.00000
     55     -10.0852      1.00000
     56      -9.9926      1.00000
     57      -9.6966      1.00000
     58      -9.6901      1.00000
     59      -9.6709      1.00000
     60      -9.5915      1.00000
     61      -9.5674      1.00000
     62      -9.5543      1.00000
     63      -9.3132      1.00000
     64      -9.3005      1.00000
     65      -9.2837      1.00000
     66      -9.2430      1.00000
     67      -9.1227      1.00000
     68      -9.1129      1.00000
     69      -9.1113      1.00000
     70      -8.9400      1.00000
     71      -8.8752      1.00000
     72      -8.6049      1.00000
     73      -8.5862      1.00000
     74      -8.2712      1.00000
     75      -8.1016      1.00000
     76      -7.8675      1.00000
     77      -7.8439      1.00000
     78      -7.7907      1.00000
     79      -7.7650      1.00000
     80      -7.7559      1.00000
     81      -7.4473      1.00000
     82      -7.3350      1.00000
     83      -7.3234      1.00000
     84      -7.2664      1.00000
     85      -7.1628      1.00000
     86      -7.0148      1.00000
     87      -6.9867      1.00000
     88      -6.7179      1.00000
     89      -6.6908      1.00000
     90      -6.6319      1.00000
     91      -6.5907      1.00000
     92      -6.1178      1.00000
     93      -6.0590      1.00000
     94      -6.0448      1.00000
     95      -6.0286      1.00000
     96      -5.7481      1.00000
     97      -4.9748      1.00000
     98      -4.8397      1.00000
     99      -4.7091      1.00000
    100      -4.6735      1.00000
    101      -4.4836      1.00000
    102      -4.3522      1.00000
    103      -4.1119      1.00000
    104      -4.0556      1.00000
    105      -3.7550      1.00000
    106      -3.4654      1.00000
    107      -1.9506      0.00000
    108      -1.7711      0.00000
    109      -1.4798      0.00000
    110      -1.3555      0.00000
    111      -1.3359      0.00000
    112      -1.2926      0.00000
    113      -0.6785      0.00000
    114      -0.4719      0.00000
    115      -0.2354      0.00000
    116       0.0516      0.00000
    117       0.5874      0.00000
    118       0.6924      0.00000
    119       0.7701      0.00000
    120       1.0228      0.00000
    121       1.0970      0.00000
    122       1.1767      0.00000
    123       1.2501      0.00000
    124       1.3346      0.00000
    125       1.4333      0.00000
    126       1.5985      0.00000
    127       1.7614      0.00000
    128       1.8427      0.00000
    129       1.8598      0.00000
    130       1.8875      0.00000
    131       2.0445      0.00000
    132       2.2170      0.00000
    133       2.2322      0.00000
    134       2.2852      0.00000
    135       2.4790      0.00000
    136       2.6159      0.00000
    137       2.6400      0.00000
    138       2.7522      0.00000
    139       2.7912      0.00000
    140       2.8363      0.00000
    141       2.8473      0.00000
    142       2.8680      0.00000
    143       2.9443      0.00000
    144       3.0845      0.00000
    145       3.3131      0.00000
    146       3.3541      0.00000
    147       3.4044      0.00000
    148       3.4163      0.00000
    149       3.4205      0.00000
    150       3.5982      0.00000
    151       3.6467      0.00000
    152       3.6735      0.00000
    153       3.7291      0.00000
    154       3.8943      0.00000
    155       3.9235      0.00000
    156       3.9541      0.00000
    157       4.1063      0.00000
    158       4.2044      0.00000
    159       4.2523      0.00000
    160       4.2818      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2109      1.00000
      2     -22.1202      1.00000
      3     -21.9578      1.00000
      4     -21.4058      1.00000
      5     -21.0472      1.00000
      6     -21.0189      1.00000
      7     -20.4970      1.00000
      8     -20.4672      1.00000
      9     -20.2873      1.00000
     10     -20.2853      1.00000
     11     -19.9576      1.00000
     12     -19.8945      1.00000
     13     -18.8841      1.00000
     14     -18.8166      1.00000
     15     -18.3385      1.00000
     16     -18.3195      1.00000
     17     -18.1498      1.00000
     18     -18.1423      1.00000
     19     -17.8165      1.00000
     20     -17.7985      1.00000
     21     -17.2587      1.00000
     22     -17.2391      1.00000
     23     -17.1608      1.00000
     24     -17.1360      1.00000
     25     -16.1174      1.00000
     26     -15.8811      1.00000
     27     -15.8701      1.00000
     28     -15.8409      1.00000
     29     -15.2314      1.00000
     30     -14.5513      1.00000
     31     -14.5329      1.00000
     32     -14.2760      1.00000
     33     -13.9755      1.00000
     34     -13.9519      1.00000
     35     -13.8253      1.00000
     36     -13.8030      1.00000
     37     -13.6044      1.00000
     38     -13.5792      1.00000
     39     -13.3712      1.00000
     40     -12.6396      1.00000
     41     -12.1691      1.00000
     42     -12.1428      1.00000
     43     -12.0685      1.00000
     44     -12.0217      1.00000
     45     -11.6654      1.00000
     46     -11.6607      1.00000
     47     -11.1368      1.00000
     48     -11.1258      1.00000
     49     -10.7905      1.00000
     50     -10.7344      1.00000
     51     -10.5361      1.00000
     52     -10.2089      1.00000
     53     -10.2027      1.00000
     54     -10.1711      1.00000
     55     -10.0232      1.00000
     56      -9.9948      1.00000
     57      -9.9907      1.00000
     58      -9.8055      1.00000
     59      -9.7965      1.00000
     60      -9.7648      1.00000
     61      -9.7569      1.00000
     62      -9.4544      1.00000
     63      -9.4178      1.00000
     64      -9.0852      1.00000
     65      -9.0463      1.00000
     66      -9.0260      1.00000
     67      -8.9698      1.00000
     68      -8.8982      1.00000
     69      -8.7086      1.00000
     70      -8.6993      1.00000
     71      -8.5600      1.00000
     72      -8.5492      1.00000
     73      -8.4781      1.00000
     74      -8.4598      1.00000
     75      -8.4571      1.00000
     76      -8.3087      1.00000
     77      -8.0954      1.00000
     78      -8.0896      1.00000
     79      -7.9269      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5369      1.00000
     83      -7.4437      1.00000
     84      -7.3142      1.00000
     85      -6.9941      1.00000
     86      -6.9194      1.00000
     87      -6.8824      1.00000
     88      -6.5276      1.00000
     89      -6.5149      1.00000
     90      -6.4808      1.00000
     91      -6.4207      1.00000
     92      -5.9273      1.00000
     93      -5.9054      1.00000
     94      -5.7889      1.00000
     95      -5.7750      1.00000
     96      -5.3695      1.00000
     97      -5.3632      1.00000
     98      -5.2204      1.00000
     99      -5.2155      1.00000
    100      -5.1989      1.00000
    101      -4.7204      1.00000
    102      -4.4423      1.00000
    103      -4.1909      1.00000
    104      -3.8204      1.00000
    105      -3.5655      1.00000
    106      -3.2215      1.00000
    107      -2.5626      0.00000
    108      -1.4632      0.00000
    109      -1.2673      0.00000
    110      -1.1852      0.00000
    111      -1.1837      0.00000
    112      -0.6447      0.00000
    113      -0.5514      0.00000
    114      -0.4147      0.00000
    115      -0.3473      0.00000
    116      -0.0776      0.00000
    117      -0.0633      0.00000
    118       0.1260      0.00000
    119       0.5932      0.00000
    120       0.6265      0.00000
    121       0.8550      0.00000
    122       0.9855      0.00000
    123       1.0033      0.00000
    124       1.4940      0.00000
    125       1.6835      0.00000
    126       1.7649      0.00000
    127       1.8601      0.00000
    128       2.1127      0.00000
    129       2.1418      0.00000
    130       2.1887      0.00000
    131       2.2103      0.00000
    132       2.2560      0.00000
    133       2.3520      0.00000
    134       2.4941      0.00000
    135       2.5096      0.00000
    136       2.6642      0.00000
    137       2.8526      0.00000
    138       2.8593      0.00000
    139       2.9532      0.00000
    140       3.0003      0.00000
    141       3.0370      0.00000
    142       3.1352      0.00000
    143       3.1913      0.00000
    144       3.2451      0.00000
    145       3.2483      0.00000
    146       3.2796      0.00000
    147       3.3031      0.00000
    148       3.3544      0.00000
    149       3.4187      0.00000
    150       3.5491      0.00000
    151       3.5650      0.00000
    152       3.6466      0.00000
    153       3.6616      0.00000
    154       3.7004      0.00000
    155       3.7261      0.00000
    156       3.8969      0.00000
    157       3.9585      0.00000
    158       4.0357      0.00000
    159       4.0759      0.00000
    160       4.1840      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2845      1.00000
      2     -22.0799      1.00000
      3     -21.7215      1.00000
      4     -21.6822      1.00000
      5     -20.9839      1.00000
      6     -20.9362      1.00000
      7     -20.6125      1.00000
      8     -20.5802      1.00000
      9     -20.5667      1.00000
     10     -20.0333      1.00000
     11     -19.5143      1.00000
     12     -19.4842      1.00000
     13     -19.3123      1.00000
     14     -19.2992      1.00000
     15     -18.4505      1.00000
     16     -18.4074      1.00000
     17     -17.9283      1.00000
     18     -17.9079      1.00000
     19     -17.7667      1.00000
     20     -17.7218      1.00000
     21     -17.4423      1.00000
     22     -17.4238      1.00000
     23     -17.3389      1.00000
     24     -16.4714      1.00000
     25     -16.4612      1.00000
     26     -15.9714      1.00000
     27     -15.4115      1.00000
     28     -15.4105      1.00000
     29     -15.0964      1.00000
     30     -15.0934      1.00000
     31     -14.8535      1.00000
     32     -14.8412      1.00000
     33     -14.2984      1.00000
     34     -14.2547      1.00000
     35     -13.4448      1.00000
     36     -13.4009      1.00000
     37     -13.1755      1.00000
     38     -13.1741      1.00000
     39     -12.9864      1.00000
     40     -12.9775      1.00000
     41     -12.6110      1.00000
     42     -12.6089      1.00000
     43     -12.1973      1.00000
     44     -11.5798      1.00000
     45     -11.5387      1.00000
     46     -11.3137      1.00000
     47     -11.2834      1.00000
     48     -11.1425      1.00000
     49     -10.6926      1.00000
     50     -10.6632      1.00000
     51     -10.5475      1.00000
     52     -10.3228      1.00000
     53     -10.3150      1.00000
     54     -10.1762      1.00000
     55     -10.1214      1.00000
     56     -10.1081      1.00000
     57      -9.8119      1.00000
     58      -9.7529      1.00000
     59      -9.7525      1.00000
     60      -9.7026      1.00000
     61      -9.6987      1.00000
     62      -9.6473      1.00000
     63      -9.3530      1.00000
     64      -9.3516      1.00000
     65      -9.3179      1.00000
     66      -9.0282      1.00000
     67      -8.9618      1.00000
     68      -8.9581      1.00000
     69      -8.7758      1.00000
     70      -8.5917      1.00000
     71      -8.5886      1.00000
     72      -8.4240      1.00000
     73      -8.3499      1.00000
     74      -8.3225      1.00000
     75      -8.3024      1.00000
     76      -8.2658      1.00000
     77      -8.2542      1.00000
     78      -8.2394      1.00000
     79      -7.9216      1.00000
     80      -7.7341      1.00000
     81      -7.3799      1.00000
     82      -7.3503      1.00000
     83      -7.3236      1.00000
     84      -7.2175      1.00000
     85      -7.1605      1.00000
     86      -7.0654      1.00000
     87      -6.9610      1.00000
     88      -6.9054      1.00000
     89      -6.6133      1.00000
     90      -6.5568      1.00000
     91      -6.2709      1.00000
     92      -5.9968      1.00000
     93      -5.9596      1.00000
     94      -5.6753      1.00000
     95      -5.6488      1.00000
     96      -5.3875      1.00000
     97      -5.3152      1.00000
     98      -5.2940      1.00000
     99      -5.2121      1.00000
    100      -5.2005      1.00000
    101      -4.5115      1.00000
    102      -4.3387      1.00000
    103      -3.9965      1.00000
    104      -3.8859      1.00000
    105      -3.7929      1.00000
    106      -3.4433      1.00000
    107      -2.0345      0.00000
    108      -1.8633      0.00000
    109      -1.2176      0.00000
    110      -1.1841      0.00000
    111      -1.0358      0.00000
    112      -0.7722      0.00000
    113      -0.6772      0.00000
    114      -0.6599      0.00000
    115      -0.6096      0.00000
    116      -0.1017      0.00000
    117       0.2226      0.00000
    118       0.2397      0.00000
    119       0.7695      0.00000
    120       0.9838      0.00000
    121       1.0739      0.00000
    122       1.2415      0.00000
    123       1.2511      0.00000
    124       1.3408      0.00000
    125       1.5782      0.00000
    126       1.5852      0.00000
    127       1.7015      0.00000
    128       1.7965      0.00000
    129       1.9460      0.00000
    130       1.9609      0.00000
    131       2.0817      0.00000
    132       2.2921      0.00000
    133       2.3417      0.00000
    134       2.4160      0.00000
    135       2.5424      0.00000
    136       2.6279      0.00000
    137       2.7632      0.00000
    138       2.8260      0.00000
    139       2.8430      0.00000
    140       2.8644      0.00000
    141       3.0432      0.00000
    142       3.0997      0.00000
    143       3.1519      0.00000
    144       3.2195      0.00000
    145       3.3741      0.00000
    146       3.4131      0.00000
    147       3.5027      0.00000
    148       3.5469      0.00000
    149       3.5904      0.00000
    150       3.6086      0.00000
    151       3.6464      0.00000
    152       3.7349      0.00000
    153       3.7442      0.00000
    154       3.7746      0.00000
    155       3.8131      0.00000
    156       3.8758      0.00000
    157       4.0204      0.00000
    158       4.0858      0.00000
    159       4.1679      0.00000
    160       4.2102      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4276      1.00000
      2     -21.6043      1.00000
      3     -21.4826      1.00000
      4     -21.4735      1.00000
      5     -21.4419      1.00000
      6     -21.4412      1.00000
      7     -21.4310      1.00000
      8     -19.7085      1.00000
      9     -19.6536      1.00000
     10     -19.6303      1.00000
     11     -19.6192      1.00000
     12     -19.6140      1.00000
     13     -19.6129      1.00000
     14     -18.7906      1.00000
     15     -18.7555      1.00000
     16     -18.7356      1.00000
     17     -18.7261      1.00000
     18     -18.7190      1.00000
     19     -18.7137      1.00000
     20     -16.6354      1.00000
     21     -16.6095      1.00000
     22     -16.5852      1.00000
     23     -16.5817      1.00000
     24     -16.5548      1.00000
     25     -16.5531      1.00000
     26     -15.6154      1.00000
     27     -15.6027      1.00000
     28     -15.5994      1.00000
     29     -15.5653      1.00000
     30     -15.5635      1.00000
     31     -15.5626      1.00000
     32     -14.2603      1.00000
     33     -14.2510      1.00000
     34     -14.2411      1.00000
     35     -14.2361      1.00000
     36     -14.2229      1.00000
     37     -14.2200      1.00000
     38     -11.9060      1.00000
     39     -11.8791      1.00000
     40     -11.8679      1.00000
     41     -11.8658      1.00000
     42     -11.8450      1.00000
     43     -11.8449      1.00000
     44     -11.7715      1.00000
     45     -11.7689      1.00000
     46     -11.7361      1.00000
     47     -11.7295      1.00000
     48     -11.7253      1.00000
     49     -11.7228      1.00000
     50     -10.6766      1.00000
     51     -10.3890      1.00000
     52     -10.3840      1.00000
     53     -10.3771      1.00000
     54     -10.3692      1.00000
     55     -10.3560      1.00000
     56     -10.3539      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4060      1.00000
     60      -9.3629      1.00000
     61      -9.3624      1.00000
     62      -9.3545      1.00000
     63      -9.1426      1.00000
     64      -9.1220      1.00000
     65      -9.1212      1.00000
     66      -9.0849      1.00000
     67      -9.0719      1.00000
     68      -9.0713      1.00000
     69      -9.0711      1.00000
     70      -9.0642      1.00000
     71      -9.0642      1.00000
     72      -9.0385      1.00000
     73      -9.0289      1.00000
     74      -9.0257      1.00000
     75      -8.1301      1.00000
     76      -7.7457      1.00000
     77      -7.4688      1.00000
     78      -7.4666      1.00000
     79      -7.4538      1.00000
     80      -7.4342      1.00000
     81      -7.4247      1.00000
     82      -7.4066      1.00000
     83      -7.3130      1.00000
     84      -7.2712      1.00000
     85      -7.2576      1.00000
     86      -7.2491      1.00000
     87      -7.1507      1.00000
     88      -7.0494      1.00000
     89      -6.4463      1.00000
     90      -6.4161      1.00000
     91      -6.4005      1.00000
     92      -6.3638      1.00000
     93      -6.3531      1.00000
     94      -6.3408      1.00000
     95      -5.9584      1.00000
     96      -5.9582      1.00000
     97      -4.8064      1.00000
     98      -4.5444      1.00000
     99      -4.4814      1.00000
    100      -4.4744      1.00000
    101      -4.3823      1.00000
    102      -4.3817      1.00000
    103      -4.2678      1.00000
    104      -4.1872      1.00000
    105      -3.7392      1.00000
    106      -3.4776      1.00000
    107      -1.8619      0.00000
    108      -1.6706      0.00000
    109      -1.6241      0.00000
    110      -1.5913      0.00000
    111      -1.5758      0.00000
    112      -1.5749      0.00000
    113      -0.4288      0.00000
    114       0.1458      0.00000
    115       0.1921      0.00000
    116       0.2557      0.00000
    117       0.2675      0.00000
    118       0.2714      0.00000
    119       0.4771      0.00000
    120       0.5478      0.00000
    121       1.2476      0.00000
    122       1.2900      0.00000
    123       1.5358      0.00000
    124       1.7712      0.00000
    125       1.7740      0.00000
    126       1.7745      0.00000
    127       1.7965      0.00000
    128       1.8297      0.00000
    129       1.9587      0.00000
    130       1.9689      0.00000
    131       1.9746      0.00000
    132       1.9893      0.00000
    133       1.9965      0.00000
    134       2.0786      0.00000
    135       2.2500      0.00000
    136       2.3446      0.00000
    137       2.6095      0.00000
    138       2.6111      0.00000
    139       2.6380      0.00000
    140       2.7077      0.00000
    141       2.9354      0.00000
    142       3.0430      0.00000
    143       3.0598      0.00000
    144       3.0935      0.00000
    145       3.0960      0.00000
    146       3.1018      0.00000
    147       3.1030      0.00000
    148       3.2757      0.00000
    149       3.4488      0.00000
    150       3.5066      0.00000
    151       3.8217      0.00000
    152       3.9535      0.00000
    153       3.9568      0.00000
    154       3.9573      0.00000
    155       3.9626      0.00000
    156       3.9968      0.00000
    157       4.1859      0.00000
    158       4.2623      0.00000
    159       4.2745      0.00000
    160       4.2837      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8317      1.00000
      3     -21.6394      1.00000
      4     -21.6116      1.00000
      5     -21.2758      1.00000
      6     -21.2364      1.00000
      7     -21.0580      1.00000
      8     -20.1687      1.00000
      9     -20.1305      1.00000
     10     -19.6096      1.00000
     11     -19.5985      1.00000
     12     -19.4181      1.00000
     13     -19.0906      1.00000
     14     -19.0609      1.00000
     15     -19.0498      1.00000
     16     -19.0424      1.00000
     17     -18.3615      1.00000
     18     -18.3531      1.00000
     19     -18.0198      1.00000
     20     -17.0698      1.00000
     21     -17.0310      1.00000
     22     -16.9445      1.00000
     23     -16.9406      1.00000
     24     -16.4685      1.00000
     25     -16.4638      1.00000
     26     -15.6149      1.00000
     27     -15.6081      1.00000
     28     -15.2533      1.00000
     29     -15.2442      1.00000
     30     -15.1854      1.00000
     31     -15.0985      1.00000
     32     -15.0716      1.00000
     33     -14.6992      1.00000
     34     -14.6972      1.00000
     35     -13.7270      1.00000
     36     -13.7245      1.00000
     37     -13.2362      1.00000
     38     -12.6145      1.00000
     39     -12.5843      1.00000
     40     -12.4548      1.00000
     41     -12.4512      1.00000
     42     -12.1096      1.00000
     43     -12.1050      1.00000
     44     -11.7178      1.00000
     45     -11.6869      1.00000
     46     -11.2354      1.00000
     47     -11.2262      1.00000
     48     -11.0181      1.00000
     49     -11.0102      1.00000
     50     -10.9272      1.00000
     51     -10.9057      1.00000
     52     -10.6316      1.00000
     53     -10.1553      1.00000
     54     -10.1513      1.00000
     55     -10.0920      1.00000
     56      -9.9990      1.00000
     57      -9.7033      1.00000
     58      -9.6953      1.00000
     59      -9.6565      1.00000
     60      -9.5922      1.00000
     61      -9.5771      1.00000
     62      -9.5591      1.00000
     63      -9.3074      1.00000
     64      -9.3036      1.00000
     65      -9.2746      1.00000
     66      -9.2370      1.00000
     67      -9.1372      1.00000
     68      -9.1153      1.00000
     69      -9.1116      1.00000
     70      -8.9402      1.00000
     71      -8.8725      1.00000
     72      -8.6046      1.00000
     73      -8.5910      1.00000
     74      -8.2367      1.00000
     75      -8.1006      1.00000
     76      -7.9135      1.00000
     77      -7.8640      1.00000
     78      -7.7718      1.00000
     79      -7.7570      1.00000
     80      -7.6923      1.00000
     81      -7.5607      1.00000
     82      -7.3389      1.00000
     83      -7.3229      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0125      1.00000
     88      -6.7047      1.00000
     89      -6.6783      1.00000
     90      -6.6413      1.00000
     91      -6.5979      1.00000
     92      -6.1159      1.00000
     93      -6.0624      1.00000
     94      -6.0313      1.00000
     95      -6.0116      1.00000
     96      -5.7834      1.00000
     97      -4.9745      1.00000
     98      -4.8321      1.00000
     99      -4.7471      1.00000
    100      -4.6795      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1719      1.00000
    104      -4.1280      1.00000
    105      -3.7296      1.00000
    106      -3.4877      1.00000
    107      -1.8703      0.00000
    108      -1.8089      0.00000
    109      -1.5243      0.00000
    110      -1.3775      0.00000
    111      -1.3214      0.00000
    112      -1.2880      0.00000
    113      -0.7199      0.00000
    114      -0.3759      0.00000
    115      -0.2499      0.00000
    116       0.0369      0.00000
    117       0.5557      0.00000
    118       0.6984      0.00000
    119       0.7464      0.00000
    120       1.0480      0.00000
    121       1.1000      0.00000
    122       1.1497      0.00000
    123       1.2274      0.00000
    124       1.3775      0.00000
    125       1.5234      0.00000
    126       1.5824      0.00000
    127       1.7150      0.00000
    128       1.8122      0.00000
    129       1.8575      0.00000
    130       1.8816      0.00000
    131       2.0959      0.00000
    132       2.1867      0.00000
    133       2.2410      0.00000
    134       2.3057      0.00000
    135       2.5127      0.00000
    136       2.5885      0.00000
    137       2.6366      0.00000
    138       2.7781      0.00000
    139       2.7942      0.00000
    140       2.8259      0.00000
    141       2.8567      0.00000
    142       2.8991      0.00000
    143       2.9412      0.00000
    144       3.0801      0.00000
    145       3.1530      0.00000
    146       3.3164      0.00000
    147       3.3805      0.00000
    148       3.4272      0.00000
    149       3.4650      0.00000
    150       3.6149      0.00000
    151       3.6453      0.00000
    152       3.6643      0.00000
    153       3.7109      0.00000
    154       3.9090      0.00000
    155       3.9591      0.00000
    156       4.0158      0.00000
    157       4.0667      0.00000
    158       4.2351      0.00000
    159       4.2494      0.00000
    160       4.2752      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2849      1.00000
      2     -22.0793      1.00000
      3     -21.7179      1.00000
      4     -21.6860      1.00000
      5     -20.9806      1.00000
      6     -20.9400      1.00000
      7     -20.6129      1.00000
      8     -20.5763      1.00000
      9     -20.5700      1.00000
     10     -20.0337      1.00000
     11     -19.5044      1.00000
     12     -19.4926      1.00000
     13     -19.3078      1.00000
     14     -19.3026      1.00000
     15     -18.4485      1.00000
     16     -18.4118      1.00000
     17     -17.9230      1.00000
     18     -17.9137      1.00000
     19     -17.7623      1.00000
     20     -17.7266      1.00000
     21     -17.4365      1.00000
     22     -17.4292      1.00000
     23     -17.3415      1.00000
     24     -16.4635      1.00000
     25     -16.4623      1.00000
     26     -15.9678      1.00000
     27     -15.4151      1.00000
     28     -15.4096      1.00000
     29     -15.0973      1.00000
     30     -15.0938      1.00000
     31     -14.8555      1.00000
     32     -14.8478      1.00000
     33     -14.2908      1.00000
     34     -14.2579      1.00000
     35     -13.4370      1.00000
     36     -13.4045      1.00000
     37     -13.1779      1.00000
     38     -13.1746      1.00000
     39     -12.9826      1.00000
     40     -12.9777      1.00000
     41     -12.6134      1.00000
     42     -12.6103      1.00000
     43     -12.1981      1.00000
     44     -11.5771      1.00000
     45     -11.5433      1.00000
     46     -11.3112      1.00000
     47     -11.2884      1.00000
     48     -11.1423      1.00000
     49     -10.6767      1.00000
     50     -10.6607      1.00000
     51     -10.5536      1.00000
     52     -10.3237      1.00000
     53     -10.3181      1.00000
     54     -10.1699      1.00000
     55     -10.1156      1.00000
     56     -10.1130      1.00000
     57      -9.7987      1.00000
     58      -9.7651      1.00000
     59      -9.7523      1.00000
     60      -9.7004      1.00000
     61      -9.6972      1.00000
     62      -9.6626      1.00000
     63      -9.3546      1.00000
     64      -9.3518      1.00000
     65      -9.3158      1.00000
     66      -9.0415      1.00000
     67      -8.9623      1.00000
     68      -8.9499      1.00000
     69      -8.8000      1.00000
     70      -8.5952      1.00000
     71      -8.5581      1.00000
     72      -8.3988      1.00000
     73      -8.3653      1.00000
     74      -8.3247      1.00000
     75      -8.3072      1.00000
     76      -8.2590      1.00000
     77      -8.2574      1.00000
     78      -8.2365      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3866      1.00000
     83      -7.3495      1.00000
     84      -7.2309      1.00000
     85      -7.0967      1.00000
     86      -7.0391      1.00000
     87      -6.9342      1.00000
     88      -6.8483      1.00000
     89      -6.6127      1.00000
     90      -6.5587      1.00000
     91      -6.2698      1.00000
     92      -6.0440      1.00000
     93      -5.9518      1.00000
     94      -5.6629      1.00000
     95      -5.6228      1.00000
     96      -5.4633      1.00000
     97      -5.3201      1.00000
     98      -5.2789      1.00000
     99      -5.2139      1.00000
    100      -5.1939      1.00000
    101      -4.5084      1.00000
    102      -4.2076      1.00000
    103      -4.0593      1.00000
    104      -3.9892      1.00000
    105      -3.6943      1.00000
    106      -3.4980      1.00000
    107      -1.9462      0.00000
    108      -1.8963      0.00000
    109      -1.3390      0.00000
    110      -1.0848      0.00000
    111      -1.0582      0.00000
    112      -0.8003      0.00000
    113      -0.6776      0.00000
    114      -0.6468      0.00000
    115      -0.6072      0.00000
    116      -0.1080      0.00000
    117       0.2156      0.00000
    118       0.3292      0.00000
    119       0.6941      0.00000
    120       0.8875      0.00000
    121       1.1273      0.00000
    122       1.1992      0.00000
    123       1.3262      0.00000
    124       1.4206      0.00000
    125       1.5543      0.00000
    126       1.5763      0.00000
    127       1.6794      0.00000
    128       1.8075      0.00000
    129       1.8813      0.00000
    130       2.0547      0.00000
    131       2.1215      0.00000
    132       2.3249      0.00000
    133       2.3582      0.00000
    134       2.3956      0.00000
    135       2.5454      0.00000
    136       2.6300      0.00000
    137       2.7291      0.00000
    138       2.7545      0.00000
    139       2.8229      0.00000
    140       2.8795      0.00000
    141       3.0460      0.00000
    142       3.0557      0.00000
    143       3.1623      0.00000
    144       3.2633      0.00000
    145       3.3607      0.00000
    146       3.4150      0.00000
    147       3.4321      0.00000
    148       3.5648      0.00000
    149       3.5819      0.00000
    150       3.5982      0.00000
    151       3.6595      0.00000
    152       3.6744      0.00000
    153       3.7791      0.00000
    154       3.7992      0.00000
    155       3.8044      0.00000
    156       3.8923      0.00000
    157       3.9211      0.00000
    158       3.9933      0.00000
    159       4.2135      0.00000
    160       4.2248      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.9641      1.00000
      3     -21.8949      1.00000
      4     -21.3822      1.00000
      5     -21.3529      1.00000
      6     -20.8408      1.00000
      7     -20.7756      1.00000
      8     -20.6252      1.00000
      9     -20.0787      1.00000
     10     -20.0730      1.00000
     11     -19.7178      1.00000
     12     -19.6933      1.00000
     13     -18.9974      1.00000
     14     -18.9915      1.00000
     15     -18.6416      1.00000
     16     -18.6257      1.00000
     17     -18.4630      1.00000
     18     -17.6760      1.00000
     19     -17.6256      1.00000
     20     -17.6228      1.00000
     21     -17.5809      1.00000
     22     -17.1273      1.00000
     23     -17.1058      1.00000
     24     -16.9627      1.00000
     25     -16.0023      1.00000
     26     -15.9305      1.00000
     27     -15.5865      1.00000
     28     -15.5861      1.00000
     29     -15.2876      1.00000
     30     -14.8647      1.00000
     31     -14.8375      1.00000
     32     -14.5795      1.00000
     33     -14.5376      1.00000
     34     -14.1693      1.00000
     35     -14.1558      1.00000
     36     -13.1484      1.00000
     37     -13.1012      1.00000
     38     -13.0301      1.00000
     39     -13.0200      1.00000
     40     -12.7094      1.00000
     41     -12.7053      1.00000
     42     -12.3422      1.00000
     43     -12.3110      1.00000
     44     -11.6365      1.00000
     45     -11.6229      1.00000
     46     -11.5727      1.00000
     47     -10.9501      1.00000
     48     -10.9170      1.00000
     49     -10.6329      1.00000
     50     -10.6248      1.00000
     51     -10.5479      1.00000
     52     -10.5002      1.00000
     53     -10.4999      1.00000
     54     -10.4399      1.00000
     55     -10.3607      1.00000
     56     -10.1001      1.00000
     57      -9.9042      1.00000
     58      -9.6087      1.00000
     59      -9.5565      1.00000
     60      -9.4529      1.00000
     61      -9.4125      1.00000
     62      -9.4056      1.00000
     63      -9.3775      1.00000
     64      -9.3772      1.00000
     65      -9.2880      1.00000
     66      -9.1690      1.00000
     67      -9.1435      1.00000
     68      -9.1151      1.00000
     69      -8.8651      1.00000
     70      -8.8576      1.00000
     71      -8.8157      1.00000
     72      -8.5975      1.00000
     73      -8.4805      1.00000
     74      -8.1991      1.00000
     75      -8.1636      1.00000
     76      -8.0093      1.00000
     77      -7.9640      1.00000
     78      -7.8507      1.00000
     79      -7.8406      1.00000
     80      -7.7044      1.00000
     81      -7.6970      1.00000
     82      -7.6224      1.00000
     83      -7.4490      1.00000
     84      -7.3009      1.00000
     85      -7.2532      1.00000
     86      -6.9065      1.00000
     87      -6.8927      1.00000
     88      -6.5890      1.00000
     89      -6.5515      1.00000
     90      -6.4062      1.00000
     91      -6.2537      1.00000
     92      -6.2330      1.00000
     93      -6.2055      1.00000
     94      -6.0232      1.00000
     95      -5.5502      1.00000
     96      -5.4891      1.00000
     97      -5.3505      1.00000
     98      -5.2198      1.00000
     99      -4.9795      1.00000
    100      -4.7326      1.00000
    101      -4.6781      1.00000
    102      -4.3875      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5464      1.00000
    106      -3.5100      1.00000
    107      -2.2563      0.00000
    108      -1.4565      0.00000
    109      -1.3712      0.00000
    110      -1.2418      0.00000
    111      -1.0979      0.00000
    112      -0.9450      0.00000
    113      -0.8637      0.00000
    114      -0.8032      0.00000
    115      -0.1393      0.00000
    116       0.1111      0.00000
    117       0.2408      0.00000
    118       0.3777      0.00000
    119       0.6516      0.00000
    120       0.8359      0.00000
    121       0.9366      0.00000
    122       1.0637      0.00000
    123       1.2333      0.00000
    124       1.4478      0.00000
    125       1.5503      0.00000
    126       1.7664      0.00000
    127       1.7928      0.00000
    128       1.8718      0.00000
    129       1.9691      0.00000
    130       2.0436      0.00000
    131       2.1758      0.00000
    132       2.1923      0.00000
    133       2.4102      0.00000
    134       2.4557      0.00000
    135       2.5275      0.00000
    136       2.6043      0.00000
    137       2.6374      0.00000
    138       2.6956      0.00000
    139       2.7753      0.00000
    140       2.8335      0.00000
    141       2.9489      0.00000
    142       3.0810      0.00000
    143       3.2008      0.00000
    144       3.2066      0.00000
    145       3.2547      0.00000
    146       3.3242      0.00000
    147       3.3247      0.00000
    148       3.4656      0.00000
    149       3.4993      0.00000
    150       3.6980      0.00000
    151       3.7107      0.00000
    152       3.7258      0.00000
    153       3.8575      0.00000
    154       3.9118      0.00000
    155       3.9441      0.00000
    156       3.9802      0.00000
    157       4.0119      0.00000
    158       4.0339      0.00000
    159       4.0485      0.00000
    160       4.0634      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2118      1.00000
      2     -22.1189      1.00000
      3     -21.9581      1.00000
      4     -21.4057      1.00000
      5     -21.0510      1.00000
      6     -21.0151      1.00000
      7     -20.5019      1.00000
      8     -20.4624      1.00000
      9     -20.2961      1.00000
     10     -20.2767      1.00000
     11     -19.9587      1.00000
     12     -19.8930      1.00000
     13     -18.8835      1.00000
     14     -18.8148      1.00000
     15     -18.3538      1.00000
     16     -18.3075      1.00000
     17     -18.1540      1.00000
     18     -18.1368      1.00000
     19     -17.8276      1.00000
     20     -17.7900      1.00000
     21     -17.2525      1.00000
     22     -17.2425      1.00000
     23     -17.1655      1.00000
     24     -17.1337      1.00000
     25     -16.1109      1.00000
     26     -15.8865      1.00000
     27     -15.8711      1.00000
     28     -15.8349      1.00000
     29     -15.2371      1.00000
     30     -14.5559      1.00000
     31     -14.5280      1.00000
     32     -14.2808      1.00000
     33     -13.9644      1.00000
     34     -13.9569      1.00000
     35     -13.8208      1.00000
     36     -13.8051      1.00000
     37     -13.6153      1.00000
     38     -13.5715      1.00000
     39     -13.3710      1.00000
     40     -12.6354      1.00000
     41     -12.1816      1.00000
     42     -12.1336      1.00000
     43     -12.0729      1.00000
     44     -12.0207      1.00000
     45     -11.6701      1.00000
     46     -11.6566      1.00000
     47     -11.1395      1.00000
     48     -11.1189      1.00000
     49     -10.7954      1.00000
     50     -10.7318      1.00000
     51     -10.5294      1.00000
     52     -10.2091      1.00000
     53     -10.2063      1.00000
     54     -10.1654      1.00000
     55     -10.0183      1.00000
     56     -10.0049      1.00000
     57      -9.9912      1.00000
     58      -9.8018      1.00000
     59      -9.7980      1.00000
     60      -9.7627      1.00000
     61      -9.7579      1.00000
     62      -9.4552      1.00000
     63      -9.4180      1.00000
     64      -9.0810      1.00000
     65      -9.0728      1.00000
     66      -9.0412      1.00000
     67      -8.9558      1.00000
     68      -8.8778      1.00000
     69      -8.7126      1.00000
     70      -8.7003      1.00000
     71      -8.5663      1.00000
     72      -8.5435      1.00000
     73      -8.4998      1.00000
     74      -8.4630      1.00000
     75      -8.4538      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0438      1.00000
     79      -7.9160      1.00000
     80      -7.8635      1.00000
     81      -7.6151      1.00000
     82      -7.5489      1.00000
     83      -7.4901      1.00000
     84      -7.2680      1.00000
     85      -6.9954      1.00000
     86      -6.9232      1.00000
     87      -6.8822      1.00000
     88      -6.5327      1.00000
     89      -6.4874      1.00000
     90      -6.4615      1.00000
     91      -6.4104      1.00000
     92      -5.9841      1.00000
     93      -5.8976      1.00000
     94      -5.7847      1.00000
     95      -5.7597      1.00000
     96      -5.4322      1.00000
     97      -5.3294      1.00000
     98      -5.2303      1.00000
     99      -5.2178      1.00000
    100      -5.1885      1.00000
    101      -4.6922      1.00000
    102      -4.4215      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5291      1.00000
    106      -3.2742      1.00000
    107      -2.5311      0.00000
    108      -1.4581      0.00000
    109      -1.2666      0.00000
    110      -1.2029      0.00000
    111      -1.1725      0.00000
    112      -0.7196      0.00000
    113      -0.5034      0.00000
    114      -0.4119      0.00000
    115      -0.3395      0.00000
    116      -0.1459      0.00000
    117      -0.0028      0.00000
    118       0.1939      0.00000
    119       0.5613      0.00000
    120       0.6126      0.00000
    121       0.7962      0.00000
    122       0.9068      0.00000
    123       1.1324      0.00000
    124       1.4933      0.00000
    125       1.6345      0.00000
    126       1.8525      0.00000
    127       1.9266      0.00000
    128       2.1052      0.00000
    129       2.1155      0.00000
    130       2.1480      0.00000
    131       2.1860      0.00000
    132       2.2799      0.00000
    133       2.3370      0.00000
    134       2.4677      0.00000
    135       2.5799      0.00000
    136       2.6569      0.00000
    137       2.8543      0.00000
    138       2.8715      0.00000
    139       2.8934      0.00000
    140       3.0131      0.00000
    141       3.0225      0.00000
    142       3.1401      0.00000
    143       3.1788      0.00000
    144       3.2311      0.00000
    145       3.2726      0.00000
    146       3.2843      0.00000
    147       3.3004      0.00000
    148       3.3465      0.00000
    149       3.4231      0.00000
    150       3.4442      0.00000
    151       3.5519      0.00000
    152       3.6220      0.00000
    153       3.7043      0.00000
    154       3.7282      0.00000
    155       3.7726      0.00000
    156       3.8946      0.00000
    157       3.9386      0.00000
    158       4.0041      0.00000
    159       4.1311      0.00000
    160       4.2226      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3187      1.00000
      2     -21.9657      1.00000
      3     -21.8935      1.00000
      4     -21.3858      1.00000
      5     -21.3494      1.00000
      6     -20.8406      1.00000
      7     -20.7742      1.00000
      8     -20.6262      1.00000
      9     -20.0907      1.00000
     10     -20.0619      1.00000
     11     -19.7195      1.00000
     12     -19.6907      1.00000
     13     -19.0108      1.00000
     14     -18.9797      1.00000
     15     -18.6507      1.00000
     16     -18.6179      1.00000
     17     -18.4616      1.00000
     18     -17.6612      1.00000
     19     -17.6476      1.00000
     20     -17.6114      1.00000
     21     -17.5788      1.00000
     22     -17.1380      1.00000
     23     -17.0980      1.00000
     24     -16.9664      1.00000
     25     -16.0087      1.00000
     26     -15.9239      1.00000
     27     -15.5998      1.00000
     28     -15.5762      1.00000
     29     -15.2803      1.00000
     30     -14.8774      1.00000
     31     -14.8304      1.00000
     32     -14.5753      1.00000
     33     -14.5375      1.00000
     34     -14.1644      1.00000
     35     -14.1603      1.00000
     36     -13.1627      1.00000
     37     -13.0968      1.00000
     38     -13.0237      1.00000
     39     -13.0189      1.00000
     40     -12.7184      1.00000
     41     -12.6952      1.00000
     42     -12.3414      1.00000
     43     -12.3142      1.00000
     44     -11.6318      1.00000
     45     -11.6226      1.00000
     46     -11.5707      1.00000
     47     -10.9412      1.00000
     48     -10.9233      1.00000
     49     -10.6695      1.00000
     50     -10.5901      1.00000
     51     -10.5736      1.00000
     52     -10.5011      1.00000
     53     -10.4897      1.00000
     54     -10.4394      1.00000
     55     -10.3568      1.00000
     56     -10.1044      1.00000
     57      -9.8984      1.00000
     58      -9.6092      1.00000
     59      -9.5519      1.00000
     60      -9.4548      1.00000
     61      -9.4181      1.00000
     62      -9.4099      1.00000
     63      -9.3799      1.00000
     64      -9.3727      1.00000
     65      -9.2681      1.00000
     66      -9.1652      1.00000
     67      -9.1413      1.00000
     68      -9.1159      1.00000
     69      -8.8663      1.00000
     70      -8.8602      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1932      1.00000
     75      -8.1706      1.00000
     76      -8.0761      1.00000
     77      -7.8580      1.00000
     78      -7.8372      1.00000
     79      -7.8242      1.00000
     80      -7.7106      1.00000
     81      -7.6962      1.00000
     82      -7.5977      1.00000
     83      -7.5301      1.00000
     84      -7.3506      1.00000
     85      -7.1679      1.00000
     86      -6.9051      1.00000
     87      -6.8959      1.00000
     88      -6.5928      1.00000
     89      -6.5516      1.00000
     90      -6.4062      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2009      1.00000
     94      -6.0041      1.00000
     95      -5.5319      1.00000
     96      -5.4654      1.00000
     97      -5.3142      1.00000
     98      -5.2096      1.00000
     99      -5.0470      1.00000
    100      -4.7236      1.00000
    101      -4.6716      1.00000
    102      -4.4239      1.00000
    103      -4.1947      1.00000
    104      -3.8428      1.00000
    105      -3.6345      1.00000
    106      -3.4163      1.00000
    107      -2.2925      0.00000
    108      -1.5093      0.00000
    109      -1.2700      0.00000
    110      -1.2623      0.00000
    111      -1.0343      0.00000
    112      -0.9778      0.00000
    113      -0.8681      0.00000
    114      -0.7998      0.00000
    115      -0.2616      0.00000
    116       0.2044      0.00000
    117       0.2396      0.00000
    118       0.3600      0.00000
    119       0.6907      0.00000
    120       0.8942      0.00000
    121       0.9239      0.00000
    122       1.0405      0.00000
    123       1.1668      0.00000
    124       1.5096      0.00000
    125       1.5592      0.00000
    126       1.7101      0.00000
    127       1.7787      0.00000
    128       1.8329      0.00000
    129       1.9619      0.00000
    130       1.9843      0.00000
    131       2.1827      0.00000
    132       2.2614      0.00000
    133       2.4150      0.00000
    134       2.4627      0.00000
    135       2.5249      0.00000
    136       2.6006      0.00000
    137       2.6188      0.00000
    138       2.6990      0.00000
    139       2.7551      0.00000
    140       2.8623      0.00000
    141       3.0358      0.00000
    142       3.0793      0.00000
    143       3.1880      0.00000
    144       3.2426      0.00000
    145       3.2560      0.00000
    146       3.2959      0.00000
    147       3.3517      0.00000
    148       3.4507      0.00000
    149       3.5199      0.00000
    150       3.6917      0.00000
    151       3.7172      0.00000
    152       3.7475      0.00000
    153       3.8300      0.00000
    154       3.8892      0.00000
    155       3.9311      0.00000
    156       3.9781      0.00000
    157       4.0081      0.00000
    158       4.0384      0.00000
    159       4.0446      0.00000
    160       4.0827      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8320      1.00000
      3     -21.6426      1.00000
      4     -21.6076      1.00000
      5     -21.2800      1.00000
      6     -21.2330      1.00000
      7     -21.0576      1.00000
      8     -20.1726      1.00000
      9     -20.1264      1.00000
     10     -19.6179      1.00000
     11     -19.5917      1.00000
     12     -19.4167      1.00000
     13     -19.0955      1.00000
     14     -19.0569      1.00000
     15     -19.0525      1.00000
     16     -19.0397      1.00000
     17     -18.3676      1.00000
     18     -18.3478      1.00000
     19     -18.0175      1.00000
     20     -17.0730      1.00000
     21     -17.0243      1.00000
     22     -16.9503      1.00000
     23     -16.9364      1.00000
     24     -16.4753      1.00000
     25     -16.4633      1.00000
     26     -15.6101      1.00000
     27     -15.6096      1.00000
     28     -15.2504      1.00000
     29     -15.2383      1.00000
     30     -15.1923      1.00000
     31     -15.1022      1.00000
     32     -15.0692      1.00000
     33     -14.6988      1.00000
     34     -14.6978      1.00000
     35     -13.7254      1.00000
     36     -13.7253      1.00000
     37     -13.2359      1.00000
     38     -12.6246      1.00000
     39     -12.5805      1.00000
     40     -12.4555      1.00000
     41     -12.4501      1.00000
     42     -12.1053      1.00000
     43     -12.1003      1.00000
     44     -11.7219      1.00000
     45     -11.6833      1.00000
     46     -11.2456      1.00000
     47     -11.2249      1.00000
     48     -11.0182      1.00000
     49     -11.0065      1.00000
     50     -10.9280      1.00000
     51     -10.8994      1.00000
     52     -10.6376      1.00000
     53     -10.1729      1.00000
     54     -10.1499      1.00000
     55     -10.0852      1.00000
     56      -9.9926      1.00000
     57      -9.6966      1.00000
     58      -9.6901      1.00000
     59      -9.6709      1.00000
     60      -9.5915      1.00000
     61      -9.5674      1.00000
     62      -9.5543      1.00000
     63      -9.3132      1.00000
     64      -9.3005      1.00000
     65      -9.2837      1.00000
     66      -9.2430      1.00000
     67      -9.1227      1.00000
     68      -9.1129      1.00000
     69      -9.1113      1.00000
     70      -8.9400      1.00000
     71      -8.8752      1.00000
     72      -8.6049      1.00000
     73      -8.5862      1.00000
     74      -8.2712      1.00000
     75      -8.1016      1.00000
     76      -7.8675      1.00000
     77      -7.8439      1.00000
     78      -7.7907      1.00000
     79      -7.7650      1.00000
     80      -7.7559      1.00000
     81      -7.4473      1.00000
     82      -7.3350      1.00000
     83      -7.3234      1.00000
     84      -7.2664      1.00000
     85      -7.1628      1.00000
     86      -7.0148      1.00000
     87      -6.9867      1.00000
     88      -6.7179      1.00000
     89      -6.6908      1.00000
     90      -6.6319      1.00000
     91      -6.5907      1.00000
     92      -6.1178      1.00000
     93      -6.0590      1.00000
     94      -6.0448      1.00000
     95      -6.0286      1.00000
     96      -5.7481      1.00000
     97      -4.9748      1.00000
     98      -4.8397      1.00000
     99      -4.7091      1.00000
    100      -4.6735      1.00000
    101      -4.4836      1.00000
    102      -4.3522      1.00000
    103      -4.1119      1.00000
    104      -4.0556      1.00000
    105      -3.7550      1.00000
    106      -3.4654      1.00000
    107      -1.9506      0.00000
    108      -1.7711      0.00000
    109      -1.4798      0.00000
    110      -1.3555      0.00000
    111      -1.3359      0.00000
    112      -1.2926      0.00000
    113      -0.6785      0.00000
    114      -0.4719      0.00000
    115      -0.2354      0.00000
    116       0.0516      0.00000
    117       0.5874      0.00000
    118       0.6924      0.00000
    119       0.7701      0.00000
    120       1.0228      0.00000
    121       1.0970      0.00000
    122       1.1767      0.00000
    123       1.2501      0.00000
    124       1.3346      0.00000
    125       1.4333      0.00000
    126       1.5985      0.00000
    127       1.7614      0.00000
    128       1.8427      0.00000
    129       1.8598      0.00000
    130       1.8875      0.00000
    131       2.0445      0.00000
    132       2.2170      0.00000
    133       2.2322      0.00000
    134       2.2852      0.00000
    135       2.4790      0.00000
    136       2.6159      0.00000
    137       2.6400      0.00000
    138       2.7522      0.00000
    139       2.7912      0.00000
    140       2.8363      0.00000
    141       2.8473      0.00000
    142       2.8680      0.00000
    143       2.9443      0.00000
    144       3.0845      0.00000
    145       3.3131      0.00000
    146       3.3541      0.00000
    147       3.4043      0.00000
    148       3.4163      0.00000
    149       3.4205      0.00000
    150       3.5982      0.00000
    151       3.6467      0.00000
    152       3.6735      0.00000
    153       3.7291      0.00000
    154       3.8943      0.00000
    155       3.9235      0.00000
    156       3.9541      0.00000
    157       4.1063      0.00000
    158       4.2044      0.00000
    159       4.2523      0.00000
    160       4.2818      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2109      1.00000
      2     -22.1202      1.00000
      3     -21.9578      1.00000
      4     -21.4058      1.00000
      5     -21.0472      1.00000
      6     -21.0189      1.00000
      7     -20.4970      1.00000
      8     -20.4672      1.00000
      9     -20.2873      1.00000
     10     -20.2853      1.00000
     11     -19.9576      1.00000
     12     -19.8945      1.00000
     13     -18.8841      1.00000
     14     -18.8166      1.00000
     15     -18.3385      1.00000
     16     -18.3195      1.00000
     17     -18.1498      1.00000
     18     -18.1423      1.00000
     19     -17.8165      1.00000
     20     -17.7985      1.00000
     21     -17.2587      1.00000
     22     -17.2391      1.00000
     23     -17.1608      1.00000
     24     -17.1360      1.00000
     25     -16.1174      1.00000
     26     -15.8811      1.00000
     27     -15.8701      1.00000
     28     -15.8409      1.00000
     29     -15.2314      1.00000
     30     -14.5513      1.00000
     31     -14.5329      1.00000
     32     -14.2760      1.00000
     33     -13.9755      1.00000
     34     -13.9519      1.00000
     35     -13.8253      1.00000
     36     -13.8030      1.00000
     37     -13.6044      1.00000
     38     -13.5792      1.00000
     39     -13.3712      1.00000
     40     -12.6396      1.00000
     41     -12.1691      1.00000
     42     -12.1428      1.00000
     43     -12.0685      1.00000
     44     -12.0217      1.00000
     45     -11.6654      1.00000
     46     -11.6607      1.00000
     47     -11.1368      1.00000
     48     -11.1258      1.00000
     49     -10.7905      1.00000
     50     -10.7344      1.00000
     51     -10.5361      1.00000
     52     -10.2089      1.00000
     53     -10.2027      1.00000
     54     -10.1711      1.00000
     55     -10.0232      1.00000
     56      -9.9948      1.00000
     57      -9.9907      1.00000
     58      -9.8055      1.00000
     59      -9.7965      1.00000
     60      -9.7648      1.00000
     61      -9.7569      1.00000
     62      -9.4544      1.00000
     63      -9.4178      1.00000
     64      -9.0852      1.00000
     65      -9.0463      1.00000
     66      -9.0260      1.00000
     67      -8.9698      1.00000
     68      -8.8982      1.00000
     69      -8.7086      1.00000
     70      -8.6993      1.00000
     71      -8.5600      1.00000
     72      -8.5492      1.00000
     73      -8.4781      1.00000
     74      -8.4598      1.00000
     75      -8.4571      1.00000
     76      -8.3087      1.00000
     77      -8.0954      1.00000
     78      -8.0896      1.00000
     79      -7.9269      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5369      1.00000
     83      -7.4437      1.00000
     84      -7.3142      1.00000
     85      -6.9941      1.00000
     86      -6.9194      1.00000
     87      -6.8824      1.00000
     88      -6.5276      1.00000
     89      -6.5149      1.00000
     90      -6.4808      1.00000
     91      -6.4207      1.00000
     92      -5.9273      1.00000
     93      -5.9054      1.00000
     94      -5.7889      1.00000
     95      -5.7750      1.00000
     96      -5.3695      1.00000
     97      -5.3632      1.00000
     98      -5.2204      1.00000
     99      -5.2155      1.00000
    100      -5.1989      1.00000
    101      -4.7204      1.00000
    102      -4.4423      1.00000
    103      -4.1909      1.00000
    104      -3.8204      1.00000
    105      -3.5655      1.00000
    106      -3.2215      1.00000
    107      -2.5626      0.00000
    108      -1.4632      0.00000
    109      -1.2673      0.00000
    110      -1.1852      0.00000
    111      -1.1837      0.00000
    112      -0.6447      0.00000
    113      -0.5514      0.00000
    114      -0.4147      0.00000
    115      -0.3473      0.00000
    116      -0.0776      0.00000
    117      -0.0633      0.00000
    118       0.1260      0.00000
    119       0.5932      0.00000
    120       0.6265      0.00000
    121       0.8550      0.00000
    122       0.9855      0.00000
    123       1.0033      0.00000
    124       1.4940      0.00000
    125       1.6835      0.00000
    126       1.7649      0.00000
    127       1.8601      0.00000
    128       2.1127      0.00000
    129       2.1418      0.00000
    130       2.1887      0.00000
    131       2.2103      0.00000
    132       2.2560      0.00000
    133       2.3520      0.00000
    134       2.4941      0.00000
    135       2.5096      0.00000
    136       2.6642      0.00000
    137       2.8526      0.00000
    138       2.8593      0.00000
    139       2.9532      0.00000
    140       3.0003      0.00000
    141       3.0370      0.00000
    142       3.1352      0.00000
    143       3.1912      0.00000
    144       3.2451      0.00000
    145       3.2483      0.00000
    146       3.2796      0.00000
    147       3.3031      0.00000
    148       3.3544      0.00000
    149       3.4187      0.00000
    150       3.5491      0.00000
    151       3.5650      0.00000
    152       3.6466      0.00000
    153       3.6616      0.00000
    154       3.7003      0.00000
    155       3.7261      0.00000
    156       3.8969      0.00000
    157       3.9585      0.00000
    158       4.0357      0.00000
    159       4.0759      0.00000
    160       4.1840      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2845      1.00000
      2     -22.0799      1.00000
      3     -21.7215      1.00000
      4     -21.6822      1.00000
      5     -20.9839      1.00000
      6     -20.9362      1.00000
      7     -20.6125      1.00000
      8     -20.5802      1.00000
      9     -20.5667      1.00000
     10     -20.0333      1.00000
     11     -19.5143      1.00000
     12     -19.4842      1.00000
     13     -19.3123      1.00000
     14     -19.2992      1.00000
     15     -18.4505      1.00000
     16     -18.4074      1.00000
     17     -17.9283      1.00000
     18     -17.9079      1.00000
     19     -17.7667      1.00000
     20     -17.7218      1.00000
     21     -17.4423      1.00000
     22     -17.4238      1.00000
     23     -17.3389      1.00000
     24     -16.4714      1.00000
     25     -16.4612      1.00000
     26     -15.9714      1.00000
     27     -15.4115      1.00000
     28     -15.4105      1.00000
     29     -15.0964      1.00000
     30     -15.0934      1.00000
     31     -14.8535      1.00000
     32     -14.8412      1.00000
     33     -14.2984      1.00000
     34     -14.2547      1.00000
     35     -13.4448      1.00000
     36     -13.4009      1.00000
     37     -13.1755      1.00000
     38     -13.1741      1.00000
     39     -12.9864      1.00000
     40     -12.9775      1.00000
     41     -12.6110      1.00000
     42     -12.6089      1.00000
     43     -12.1973      1.00000
     44     -11.5798      1.00000
     45     -11.5387      1.00000
     46     -11.3137      1.00000
     47     -11.2834      1.00000
     48     -11.1425      1.00000
     49     -10.6926      1.00000
     50     -10.6632      1.00000
     51     -10.5475      1.00000
     52     -10.3228      1.00000
     53     -10.3150      1.00000
     54     -10.1762      1.00000
     55     -10.1214      1.00000
     56     -10.1081      1.00000
     57      -9.8119      1.00000
     58      -9.7529      1.00000
     59      -9.7525      1.00000
     60      -9.7026      1.00000
     61      -9.6987      1.00000
     62      -9.6473      1.00000
     63      -9.3530      1.00000
     64      -9.3516      1.00000
     65      -9.3179      1.00000
     66      -9.0282      1.00000
     67      -8.9618      1.00000
     68      -8.9581      1.00000
     69      -8.7758      1.00000
     70      -8.5917      1.00000
     71      -8.5886      1.00000
     72      -8.4240      1.00000
     73      -8.3499      1.00000
     74      -8.3225      1.00000
     75      -8.3024      1.00000
     76      -8.2658      1.00000
     77      -8.2542      1.00000
     78      -8.2394      1.00000
     79      -7.9216      1.00000
     80      -7.7341      1.00000
     81      -7.3799      1.00000
     82      -7.3503      1.00000
     83      -7.3236      1.00000
     84      -7.2175      1.00000
     85      -7.1605      1.00000
     86      -7.0654      1.00000
     87      -6.9610      1.00000
     88      -6.9054      1.00000
     89      -6.6133      1.00000
     90      -6.5568      1.00000
     91      -6.2709      1.00000
     92      -5.9968      1.00000
     93      -5.9596      1.00000
     94      -5.6753      1.00000
     95      -5.6488      1.00000
     96      -5.3875      1.00000
     97      -5.3152      1.00000
     98      -5.2940      1.00000
     99      -5.2121      1.00000
    100      -5.2005      1.00000
    101      -4.5115      1.00000
    102      -4.3387      1.00000
    103      -3.9965      1.00000
    104      -3.8859      1.00000
    105      -3.7929      1.00000
    106      -3.4433      1.00000
    107      -2.0345      0.00000
    108      -1.8633      0.00000
    109      -1.2176      0.00000
    110      -1.1841      0.00000
    111      -1.0358      0.00000
    112      -0.7722      0.00000
    113      -0.6772      0.00000
    114      -0.6599      0.00000
    115      -0.6096      0.00000
    116      -0.1017      0.00000
    117       0.2226      0.00000
    118       0.2397      0.00000
    119       0.7695      0.00000
    120       0.9838      0.00000
    121       1.0739      0.00000
    122       1.2415      0.00000
    123       1.2511      0.00000
    124       1.3408      0.00000
    125       1.5782      0.00000
    126       1.5852      0.00000
    127       1.7015      0.00000
    128       1.7965      0.00000
    129       1.9460      0.00000
    130       1.9609      0.00000
    131       2.0817      0.00000
    132       2.2921      0.00000
    133       2.3417      0.00000
    134       2.4160      0.00000
    135       2.5424      0.00000
    136       2.6279      0.00000
    137       2.7632      0.00000
    138       2.8259      0.00000
    139       2.8430      0.00000
    140       2.8644      0.00000
    141       3.0432      0.00000
    142       3.0997      0.00000
    143       3.1519      0.00000
    144       3.2195      0.00000
    145       3.3741      0.00000
    146       3.4131      0.00000
    147       3.5027      0.00000
    148       3.5469      0.00000
    149       3.5904      0.00000
    150       3.6086      0.00000
    151       3.6464      0.00000
    152       3.7349      0.00000
    153       3.7442      0.00000
    154       3.7746      0.00000
    155       3.8131      0.00000
    156       3.8758      0.00000
    157       4.0204      0.00000
    158       4.0858      0.00000
    159       4.1679      0.00000
    160       4.2102      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0417   -7.3901    4.1982   -1.2758   -0.2386   17.5938    0.1473   -0.5324    0.6338   -0.4648
x    -3.0926   -0.0374   -0.0631    0.0616   -0.0091   -2.9773   -0.0109   -0.0070    0.0049    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0417    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0940   -0.0087    0.0374    0.0377
y    -0.0458   -3.2478   -0.5380   -0.1636   -1.1810   -0.6054
z   204.0417    1.1260   -0.2804    0.0408    0.0090    0.0616    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0777    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1654
z    -0.2831    0.1873   -0.0390    0.0470   -0.1050    0.0013
 total charge-density along one line
x   212.0000  -10.2204    6.1463   -2.0858   -0.4744   19.5111   -0.9959    0.4742   -0.0449   -0.1261
x    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2204    6.1463   -2.0858   -0.4744   19.5111   -0.9959    0.4742   -0.0449   -0.1261
y    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4925  189.2923 -170.3679  153.6508 -139.4374  125.4335 -110.1199   93.9731  -78.3592
z    64.1499  -51.4976   40.4325  -31.2272   24.1310  -18.9484   15.0350  -11.7219    8.7173   -6.1226
z     4.1323   -2.7605    1.8231   -1.1123    0.5409   -0.1279   -0.1105    0.2273   -0.3090    0.4000
z    -0.4767    0.4932   -0.4398    0.3547   -0.2860    0.2512   -0.2335    0.2088   -0.1709    0.1317
z    -0.1037    0.0880   -0.0768    0.0637   -0.0490    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0074    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.030   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.585  -0.238   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.368  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.263   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.261   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.649
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.781   0.000   2.640
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.783   0.000   2.647
 28        0.864   1.785   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.785   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.646
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.860   1.781   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.649
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.870  89.435   8.029 142.334
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  113.80: CPU time   57.53
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  439.70: CPU time  221.44
    STRESS:  VPU time 1325.32: CPU time  668.22
    FORCOR:  VPU time    8.66: CPU time    8.67
    FORHAR:  VPU time    2.28: CPU time    2.28
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force =-0.3468098E-07[-0.343E-07,-0.351E-07]  d Energy = 0.7456583E-07-0.109E-06
 d Force =-0.1995727E-02[-0.200E-02,-0.200E-02]  d Ewald  = 0.1772412E-01-0.197E-01


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726418 eV

  energy  without entropy=     -471.726418  energy(sigma->0) =     -471.726418
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40850.03  40804.54 -47548.86    -39.40      0.00      0.00
  Hartree  40274.05  40254.96 -39532.80    -16.53      0.00      0.00
  E(xc)     -779.46   -779.75   -807.39     -0.25      0.00      0.00
  Local   -83408.07 -83352.51  84396.39     48.12      0.00      0.00
  n-local   -216.85   -215.73   -203.41      0.70      0.00      0.00
  augment     20.05     22.04     17.81      1.73      0.00      0.00
  Kinetic   3162.58   3176.29   3584.10      3.52      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.00      0.05     -0.22      0.04      0.00      0.00
  in kB        0.00      0.03     -0.14      0.02      0.00      0.00
  external pressure =       -0.04 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345138589  0.000689421  0.000000000     0.081000935  0.046759948  0.000000000
    -6.171978880 10.691544420  0.000000000    -0.000005223  0.093528841  0.000000000
     0.000000000  0.000000000 19.986398958     0.000000000  0.000000000  0.050034026

  length of vectors
    12.345138608 12.345138532 19.986398958     0.093528841  0.093528842  0.050034026


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.477E-05 -.490E-04 -.951E+03   0.448E-05 -.278E-04 0.960E+03   -.169E-20 0.170E-20 -.869E+01   0.417E-10 0.677E-10 -.312E-03
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   0.446E-05 -.332E-05 -.196E-04
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   -.446E-05 0.332E-05 -.196E-04
   -.206E+01 0.119E+01 0.163E+02   0.206E+01 -.119E+01 -.162E+02   -.327E-02 0.189E-02 -.242E-01   0.665E-05 -.682E-05 0.109E-04
   0.616E+01 0.684E+01 0.194E+02   -.616E+01 -.686E+01 -.193E+02   0.845E-03 0.215E-01 -.272E-01   -.957E-05 0.171E-04 0.102E-04
   0.112E+02 0.510E+01 0.162E+02   -.112E+02 -.510E+01 -.161E+02   0.202E-01 0.844E-02 -.479E-01   0.438E-05 -.571E-05 0.772E-05
   0.471E+01 -.883E+00 0.126E+02   -.473E+01 0.892E+00 -.126E+02   0.146E-01 -.735E-02 -.175E-01   -.392E-05 -.397E-05 0.298E-05
   -.308E+01 -.252E+01 0.126E+02   0.308E+01 0.252E+01 -.126E+02   -.141E-02 0.273E-02 -.130E-01   0.272E-05 -.941E-05 0.793E-05
   0.645E+00 0.393E+01 0.126E+02   -.646E+00 -.393E+01 -.126E+02   -.307E-02 -.149E-03 -.130E-01   0.397E-05 -.383E-05 0.466E-05
   0.242E+01 0.189E+02 0.240E+02   -.242E+01 -.190E+02 -.240E+02   -.233E-02 0.103E+00 -.486E-01   -.859E-05 -.195E-04 0.504E-05
   0.226E+02 0.214E+02 0.423E+02   -.227E+02 -.216E+02 -.422E+02   0.771E-01 0.262E+00 -.607E-01   0.238E-04 -.600E-05 0.139E-05
   0.268E+02 -.343E+01 0.256E+02   -.271E+02 0.355E+01 -.256E+02   0.269E+00 -.109E+00 -.338E-01   -.121E-04 -.201E-05 0.489E-05
   0.914E+01 -.527E+01 0.136E+02   -.918E+01 0.530E+01 -.136E+02   0.422E-01 -.244E-01 -.121E-01   -.114E-04 0.161E-06 0.813E-05
   0.312E+01 -.364E+01 0.126E+02   -.314E+01 0.365E+01 -.126E+02   0.137E-01 -.899E-02 -.175E-01   -.765E-06 0.109E-05 -.460E-05
   -.593E+01 0.136E+02 0.161E+02   0.593E+01 -.137E+02 -.161E+02   -.113E-02 0.715E-01 -.520E-01   0.212E-05 0.834E-05 -.546E-07
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.315E-01 0.613E+00 0.294E+00   -.587E-05 0.785E-05 -.762E-05
   0.236E+02 -.136E+02 0.940E+02   -.243E+02 0.140E+02 -.961E+02   0.636E+00 -.367E+00 0.205E+01   0.105E-05 -.327E-05 -.194E-06
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.229E+00 -.178E+00 -.338E-01   -.656E-05 0.371E-05 0.519E-06
   0.119E+01 -.122E+02 0.162E+02   -.119E+01 0.123E+02 -.161E+02   0.280E-02 -.217E-01 -.479E-01   0.103E-04 -.207E-05 0.277E-05
   -.414E+01 0.192E+01 0.116E+02   0.414E+01 -.193E+01 -.116E+02   -.264E-03 0.996E-02 -.439E-01   0.925E-05 -.139E-05 0.205E-05
   -.193E+02 0.111E+02 0.217E+02   0.193E+02 -.112E+02 -.217E+02   -.506E-01 0.292E-01 -.433E-01   -.444E-05 0.633E-05 0.878E-05
   -.373E+02 -.785E+01 0.478E+02   0.378E+02 0.813E+01 -.481E+02   -.546E+00 -.279E+00 0.294E+00   -.642E-05 0.433E-06 -.482E-05
   -.718E+01 -.303E+02 0.423E+02   0.736E+01 0.305E+02 -.422E+02   -.188E+00 -.198E+00 -.607E-01   0.203E-04 -.221E-04 -.309E-06
   -.285E+01 -.876E+01 0.194E+02   0.286E+01 0.877E+01 -.193E+02   -.182E-01 -.115E-01 -.272E-01   -.177E-04 -.216E-05 0.950E-05
   0.139E+01 -.801E+00 0.134E+02   -.139E+01 0.803E+00 -.134E+02   0.123E-03 -.711E-04 -.179E-01   0.972E-05 -.347E-05 0.883E-05
   -.374E+01 0.262E+01 0.116E+02   0.374E+01 -.262E+01 -.116E+02   -.876E-02 -.475E-02 -.439E-01   0.770E-05 -.251E-05 0.634E-05
   -.148E+02 -.169E+01 0.161E+02   0.148E+02 0.172E+01 -.161E+02   -.625E-01 -.347E-01 -.520E-01   -.430E-05 -.752E-05 0.686E-05
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.905E-01 -.496E-01 -.486E-01   0.145E-04 0.119E-04 0.765E-05
   0.285E+01 0.876E+01 0.194E+02   -.286E+01 -.877E+01 -.193E+02   0.182E-01 0.115E-01 -.272E-01   0.177E-04 0.216E-05 0.950E-05
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.905E-01 0.496E-01 -.486E-01   -.145E-04 -.119E-04 0.765E-05
   0.148E+02 0.169E+01 0.161E+02   -.148E+02 -.172E+01 -.161E+02   0.625E-01 0.347E-01 -.520E-01   0.430E-05 0.752E-05 0.686E-05
   0.374E+01 -.262E+01 0.116E+02   -.374E+01 0.262E+01 -.116E+02   0.876E-02 0.475E-02 -.439E-01   -.770E-05 0.251E-05 0.634E-05
   -.139E+01 0.801E+00 0.134E+02   0.139E+01 -.803E+00 -.134E+02   -.123E-03 0.711E-04 -.179E-01   -.971E-05 0.347E-05 0.883E-05
   -.119E+01 0.122E+02 0.162E+02   0.119E+01 -.123E+02 -.161E+02   -.280E-02 0.217E-01 -.479E-01   -.103E-04 0.207E-05 0.277E-05
   0.718E+01 0.303E+02 0.423E+02   -.736E+01 -.305E+02 -.422E+02   0.188E+00 0.198E+00 -.607E-01   -.203E-04 0.221E-04 -.309E-06
   0.373E+02 0.785E+01 0.478E+02   -.378E+02 -.813E+01 -.481E+02   0.546E+00 0.279E+00 0.294E+00   0.642E-05 -.433E-06 -.482E-05
   0.193E+02 -.111E+02 0.217E+02   -.193E+02 0.112E+02 -.217E+02   0.506E-01 -.292E-01 -.433E-01   0.444E-05 -.633E-05 0.878E-05
   0.414E+01 -.192E+01 0.116E+02   -.414E+01 0.193E+01 -.116E+02   0.264E-03 -.996E-02 -.439E-01   -.925E-05 0.139E-05 0.205E-05
   -.312E+01 0.364E+01 0.126E+02   0.314E+01 -.365E+01 -.126E+02   -.137E-01 0.899E-02 -.175E-01   0.765E-06 -.109E-05 -.460E-05
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.229E+00 0.178E+00 -.338E-01   0.656E-05 -.371E-05 0.519E-06
   -.236E+02 0.136E+02 0.940E+02   0.243E+02 -.140E+02 -.961E+02   -.636E+00 0.367E+00 0.205E+01   -.105E-05 0.327E-05 -.194E-06
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.315E-01 -.613E+00 0.294E+00   0.587E-05 -.785E-05 -.762E-05
   0.593E+01 -.136E+02 0.161E+02   -.593E+01 0.137E+02 -.161E+02   0.113E-02 -.715E-01 -.520E-01   -.212E-05 -.834E-05 -.545E-07
   -.645E+00 -.393E+01 0.126E+02   0.646E+00 0.393E+01 -.126E+02   0.307E-02 0.149E-03 -.130E-01   -.397E-05 0.383E-05 0.466E-05
   -.914E+01 0.527E+01 0.136E+02   0.918E+01 -.530E+01 -.136E+02   -.422E-01 0.244E-01 -.121E-01   0.114E-04 -.161E-06 0.813E-05
   -.268E+02 0.343E+01 0.256E+02   0.271E+02 -.355E+01 -.256E+02   -.269E+00 0.109E+00 -.338E-01   0.121E-04 0.201E-05 0.489E-05
   -.226E+02 -.214E+02 0.423E+02   0.227E+02 0.216E+02 -.422E+02   -.771E-01 -.262E+00 -.607E-01   -.238E-04 0.600E-05 0.139E-05
   -.242E+01 -.189E+02 0.240E+02   0.242E+01 0.190E+02 -.240E+02   0.233E-02 -.103E+00 -.486E-01   0.859E-05 0.195E-04 0.504E-05
   0.206E+01 -.119E+01 0.163E+02   -.206E+01 0.119E+01 -.162E+02   0.327E-02 -.189E-02 -.242E-01   -.665E-05 0.682E-05 0.109E-04
   0.308E+01 0.252E+01 0.126E+02   -.308E+01 -.252E+01 -.126E+02   0.141E-02 -.273E-02 -.130E-01   -.272E-05 0.941E-05 0.793E-05
   -.471E+01 0.883E+00 0.126E+02   0.473E+01 -.892E+00 -.126E+02   -.146E-01 0.735E-02 -.175E-01   0.392E-05 0.397E-05 0.298E-05
   -.112E+02 -.510E+01 0.162E+02   0.112E+02 0.510E+01 -.161E+02   -.202E-01 -.844E-02 -.479E-01   -.438E-05 0.571E-05 0.772E-05
   -.616E+01 -.684E+01 0.194E+02   0.616E+01 0.686E+01 -.193E+02   -.845E-03 -.215E-01 -.272E-01   0.957E-05 -.171E-04 0.102E-04
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.289E-03 0.101E+02   0.112E-12 0.639E-13 0.171E-12   0.815E-16 -.191E-15 -.100E+02   0.496E-09 -.257E-09 -.152E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85211      6.05884     12.26471         0.000000      0.000000      0.019572
      1.07497      6.50752     13.52421         0.001550     -0.000895      0.008855
      2.62924      5.61016     13.52421        -0.001550      0.000895      0.008855
      0.00015     -0.00009      9.91082        -0.002296      0.001325      0.000100
     -1.23474      2.13683      9.90948        -0.000401      0.001544      0.000047
     -2.46994      4.27634      9.92946        -0.002692      0.002261     -0.000371
     -3.70363      6.41501      9.93717        -0.002032      0.001459     -0.000868
     -4.93735      8.55322      9.92774        -0.004150      0.002118     -0.000489
      2.46916     -0.00006      9.92774        -0.003909      0.002535     -0.000489
      1.23392      2.13662      9.91902        -0.003396      0.001408     -0.001223
     -0.00265      4.27071      9.93152        -0.003665      0.003446     -0.002374
     -1.23832      6.41562      9.95362        -0.000254      0.001297     -0.001119
     -2.46890      8.55357      9.93905        -0.001099      0.000634      0.000608
      4.93776      0.00062      9.93717        -0.002279      0.001030     -0.000868
      3.70409      2.13669      9.94047        -0.001511     -0.000557     -0.001277
      2.46985      4.26841      9.96808        -0.003475      0.000966     -0.002351
      1.22909      6.41854      9.97430        -0.004662      0.002692      0.001538
     -0.00209      8.55684      9.95362        -0.001250     -0.000429     -0.001119
      7.40675      0.00155      9.92946        -0.003304      0.001201     -0.000371
      6.17243      2.13877      9.93579        -0.002976      0.001746     -0.000538
      4.93890      4.27668      9.94852         0.000481     -0.000278     -0.000057
      3.71153      6.41908      9.96808        -0.002574      0.002526     -0.002351
      2.47330      8.55917      9.93152        -0.004817      0.001451     -0.002374
      9.87722      0.00159      9.90948        -0.001537     -0.000425      0.000047
      8.64160      2.13893      9.92067        -0.003159      0.001824      0.000297
      7.40715      4.27737      9.93579        -0.003000      0.001704     -0.000538
      6.17478      6.41605      9.94047        -0.000273      0.001587     -0.001277
      4.93975      8.55531      9.91902        -0.002918      0.002237     -0.001223
     -0.00103      1.42455      9.90948         0.001537      0.000425      0.000047
     -1.23554      3.56237      9.91902         0.002918     -0.002237     -0.001223
     -2.47057      5.70163      9.94047         0.000273     -0.001587     -0.001277
     -3.70294      7.84032      9.93579         0.003000     -0.001704     -0.000538
     -4.93739      9.97876      9.92067         0.003159     -0.001824      0.000297
      2.46944      1.42459      9.92946         0.003304     -0.001201     -0.000371
      1.23091      3.55851      9.93152         0.004817     -0.001451     -0.002374
     -0.00732      5.69860      9.96808         0.002574     -0.002526     -0.002351
     -1.23469      7.84100      9.94852        -0.000481      0.000278     -0.000057
     -2.46822      9.97891      9.93579         0.002976     -0.001746     -0.000538
      4.93843      1.42552      9.93717         0.002279     -0.001030     -0.000868
      3.70630      3.56084      9.95362         0.001250      0.000429     -0.001119
      2.47512      5.69914      9.97430         0.004662     -0.002692      0.001538
      1.23437      7.84927      9.96808         0.003475     -0.000966     -0.002351
      0.00012      9.98099      9.94047         0.001511      0.000557     -0.001277
      7.40703      1.42619      9.92774         0.003909     -0.002535     -0.000489
      6.17311      3.56411      9.93905         0.001099     -0.000634      0.000608
      4.94253      5.70206      9.95362         0.000254     -0.001297     -0.001119
      3.70686      7.84698      9.93152         0.003665     -0.003446     -0.002374
      2.47029      9.98106      9.91902         0.003396     -0.001408     -0.001223
      9.87604      1.42622      9.91082         0.002296     -0.001325      0.000100
      8.64156      3.56446      9.92774         0.004150     -0.002118     -0.000489
      7.40784      5.70267      9.93717         0.002032     -0.001459     -0.000868
      6.17415      7.84134      9.92946         0.002692     -0.002261     -0.000371
      4.93895      9.98085      9.90948         0.000401     -0.001544      0.000047
 -----------------------------------------------------------------------------------
    total drift:                               -0.001802      0.000289      0.015803


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.94: CPU time    1.94
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.35
    ORTHCH:  VPU time  182.77: CPU time   91.77
     LOOP+:  VPU time 4862.86: CPU time 2513.69


----------------------------------------- Iteration   32(   1)  ---------------------------------------


    POTLOK:  VPU time    9.19: CPU time    9.12
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1353.32: CPU time  699.53
 BZINTS: Fermi energy: -3.185633;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.15: CPU time   58.07
    MIXING:  VPU time    0.17: CPU time    0.17
    ------------------------------------------
      LOOP:  VPU time 1478.25: CPU time  767.26

 eigenvalue-minimisations  :  3928
 total energy-change (2. order) :-0.4717264E+03  ( 0.1618110E-08)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583427 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.97635E-05    rms(broyden)= 0.97631E-05
  rms(prec ) = 0.11752E-04
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34105.72923730
  -1/2 Hartree   DENC   =    -40996.21461542
  -V(xc)+E(xc)   XCENC  =       726.60497371
  PAW double counting   =      4094.27145884    -4132.61930308
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.93802248
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641753 eV

  energy without entropy =     -471.72641753  energy(sigma->0) =     -471.72641753


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   32(   2)  ---------------------------------------


    POTLOK:  VPU time    9.19: CPU time    9.19
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1327.06: CPU time  684.08
 BZINTS: Fermi energy: -3.185617;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1336.66: CPU time  693.65

 eigenvalue-minimisations  :  3784
 total energy-change (2. order) :-0.8440111E-08  ( 0.2625436E-08)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583427 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34105.72923730
  -1/2 Hartree   DENC   =    -40996.21296376
  -V(xc)+E(xc)   XCENC  =       726.60493878
  PAW double counting   =      4094.27112043    -4132.61896877
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.93963511
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641754 eV

  energy without entropy =     -471.72641754  energy(sigma->0) =     -471.72641754


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2180       2 -39.5362       3 -39.5363       4 -58.3139       5 -58.3178
       6 -58.3203       7 -58.3149       8 -58.3152       9 -58.3152      10 -58.3216
      11 -58.3878      12 -58.3517      13 -58.3231      14 -58.3149      15 -58.3247
      16 -58.5427      17 -58.7298      18 -58.3518      19 -58.3203      20 -58.3200
      21 -58.3579      22 -58.5428      23 -58.3878      24 -58.3178      25 -58.3230
      26 -58.3200      27 -58.3247      28 -58.3217      29 -58.3177      30 -58.3215
      31 -58.3246      32 -58.3199      33 -58.3229      34 -58.3202      35 -58.3877
      36 -58.5427      37 -58.3578      38 -58.3199      39 -58.3147      40 -58.3516
      41 -58.7297      42 -58.5427      43 -58.3246      44 -58.3151      45 -58.3230
      46 -58.3516      47 -58.3877      48 -58.3216      49 -58.3137      50 -58.3151
      51 -58.3147      52 -58.3202      53 -58.3177
 
 
 
 E-fermi :  -3.1856     XC(G=0):  -2.3444     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4276      1.00000
      2     -21.6043      1.00000
      3     -21.4826      1.00000
      4     -21.4735      1.00000
      5     -21.4420      1.00000
      6     -21.4412      1.00000
      7     -21.4310      1.00000
      8     -19.7085      1.00000
      9     -19.6536      1.00000
     10     -19.6303      1.00000
     11     -19.6192      1.00000
     12     -19.6140      1.00000
     13     -19.6130      1.00000
     14     -18.7906      1.00000
     15     -18.7555      1.00000
     16     -18.7357      1.00000
     17     -18.7261      1.00000
     18     -18.7190      1.00000
     19     -18.7137      1.00000
     20     -16.6354      1.00000
     21     -16.6096      1.00000
     22     -16.5852      1.00000
     23     -16.5818      1.00000
     24     -16.5548      1.00000
     25     -16.5531      1.00000
     26     -15.6154      1.00000
     27     -15.6027      1.00000
     28     -15.5994      1.00000
     29     -15.5653      1.00000
     30     -15.5636      1.00000
     31     -15.5626      1.00000
     32     -14.2603      1.00000
     33     -14.2511      1.00000
     34     -14.2411      1.00000
     35     -14.2361      1.00000
     36     -14.2229      1.00000
     37     -14.2200      1.00000
     38     -11.9060      1.00000
     39     -11.8791      1.00000
     40     -11.8679      1.00000
     41     -11.8658      1.00000
     42     -11.8451      1.00000
     43     -11.8449      1.00000
     44     -11.7716      1.00000
     45     -11.7689      1.00000
     46     -11.7362      1.00000
     47     -11.7295      1.00000
     48     -11.7253      1.00000
     49     -11.7228      1.00000
     50     -10.6766      1.00000
     51     -10.3890      1.00000
     52     -10.3840      1.00000
     53     -10.3771      1.00000
     54     -10.3692      1.00000
     55     -10.3560      1.00000
     56     -10.3539      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4060      1.00000
     60      -9.3630      1.00000
     61      -9.3624      1.00000
     62      -9.3545      1.00000
     63      -9.1426      1.00000
     64      -9.1220      1.00000
     65      -9.1213      1.00000
     66      -9.0849      1.00000
     67      -9.0720      1.00000
     68      -9.0713      1.00000
     69      -9.0712      1.00000
     70      -9.0642      1.00000
     71      -9.0642      1.00000
     72      -9.0385      1.00000
     73      -9.0289      1.00000
     74      -9.0258      1.00000
     75      -8.1301      1.00000
     76      -7.7457      1.00000
     77      -7.4688      1.00000
     78      -7.4666      1.00000
     79      -7.4538      1.00000
     80      -7.4342      1.00000
     81      -7.4247      1.00000
     82      -7.4066      1.00000
     83      -7.3130      1.00000
     84      -7.2712      1.00000
     85      -7.2576      1.00000
     86      -7.2491      1.00000
     87      -7.1508      1.00000
     88      -7.0494      1.00000
     89      -6.4463      1.00000
     90      -6.4161      1.00000
     91      -6.4005      1.00000
     92      -6.3638      1.00000
     93      -6.3531      1.00000
     94      -6.3408      1.00000
     95      -5.9585      1.00000
     96      -5.9582      1.00000
     97      -4.8064      1.00000
     98      -4.5444      1.00000
     99      -4.4814      1.00000
    100      -4.4744      1.00000
    101      -4.3823      1.00000
    102      -4.3817      1.00000
    103      -4.2678      1.00000
    104      -4.1872      1.00000
    105      -3.7393      1.00000
    106      -3.4776      1.00000
    107      -1.8619      0.00000
    108      -1.6706      0.00000
    109      -1.6241      0.00000
    110      -1.5913      0.00000
    111      -1.5758      0.00000
    112      -1.5749      0.00000
    113      -0.4288      0.00000
    114       0.1458      0.00000
    115       0.1921      0.00000
    116       0.2557      0.00000
    117       0.2675      0.00000
    118       0.2714      0.00000
    119       0.4771      0.00000
    120       0.5479      0.00000
    121       1.2479      0.00000
    122       1.2900      0.00000
    123       1.5364      0.00000
    124       1.7713      0.00000
    125       1.7741      0.00000
    126       1.7746      0.00000
    127       1.7962      0.00000
    128       1.8298      0.00000
    129       1.9587      0.00000
    130       1.9690      0.00000
    131       1.9746      0.00000
    132       1.9893      0.00000
    133       1.9965      0.00000
    134       2.0788      0.00000
    135       2.2503      0.00000
    136       2.3447      0.00000
    137       2.6102      0.00000
    138       2.6117      0.00000
    139       2.6388      0.00000
    140       2.7095      0.00000
    141       2.9356      0.00000
    142       3.0434      0.00000
    143       3.0594      0.00000
    144       3.0935      0.00000
    145       3.0956      0.00000
    146       3.1016      0.00000
    147       3.1032      0.00000
    148       3.2765      0.00000
    149       3.4488      0.00000
    150       3.5074      0.00000
    151       3.8225      0.00000
    152       3.9560      0.00000
    153       3.9576      0.00000
    154       3.9595      0.00000
    155       3.9654      0.00000
    156       3.9976      0.00000
    157       4.1864      0.00000
    158       4.2623      0.00000
    159       4.2741      0.00000
    160       4.2837      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8318      1.00000
      3     -21.6394      1.00000
      4     -21.6116      1.00000
      5     -21.2758      1.00000
      6     -21.2364      1.00000
      7     -21.0580      1.00000
      8     -20.1687      1.00000
      9     -20.1305      1.00000
     10     -19.6096      1.00000
     11     -19.5985      1.00000
     12     -19.4181      1.00000
     13     -19.0906      1.00000
     14     -19.0609      1.00000
     15     -19.0498      1.00000
     16     -19.0424      1.00000
     17     -18.3615      1.00000
     18     -18.3531      1.00000
     19     -18.0198      1.00000
     20     -17.0698      1.00000
     21     -17.0310      1.00000
     22     -16.9445      1.00000
     23     -16.9406      1.00000
     24     -16.4685      1.00000
     25     -16.4638      1.00000
     26     -15.6149      1.00000
     27     -15.6081      1.00000
     28     -15.2533      1.00000
     29     -15.2442      1.00000
     30     -15.1854      1.00000
     31     -15.0985      1.00000
     32     -15.0717      1.00000
     33     -14.6992      1.00000
     34     -14.6972      1.00000
     35     -13.7270      1.00000
     36     -13.7245      1.00000
     37     -13.2362      1.00000
     38     -12.6146      1.00000
     39     -12.5843      1.00000
     40     -12.4548      1.00000
     41     -12.4512      1.00000
     42     -12.1096      1.00000
     43     -12.1050      1.00000
     44     -11.7179      1.00000
     45     -11.6870      1.00000
     46     -11.2355      1.00000
     47     -11.2262      1.00000
     48     -11.0181      1.00000
     49     -11.0102      1.00000
     50     -10.9272      1.00000
     51     -10.9057      1.00000
     52     -10.6316      1.00000
     53     -10.1553      1.00000
     54     -10.1513      1.00000
     55     -10.0921      1.00000
     56      -9.9990      1.00000
     57      -9.7033      1.00000
     58      -9.6953      1.00000
     59      -9.6565      1.00000
     60      -9.5922      1.00000
     61      -9.5771      1.00000
     62      -9.5591      1.00000
     63      -9.3074      1.00000
     64      -9.3036      1.00000
     65      -9.2746      1.00000
     66      -9.2370      1.00000
     67      -9.1372      1.00000
     68      -9.1153      1.00000
     69      -9.1116      1.00000
     70      -8.9402      1.00000
     71      -8.8725      1.00000
     72      -8.6046      1.00000
     73      -8.5910      1.00000
     74      -8.2367      1.00000
     75      -8.1006      1.00000
     76      -7.9135      1.00000
     77      -7.8640      1.00000
     78      -7.7718      1.00000
     79      -7.7570      1.00000
     80      -7.6923      1.00000
     81      -7.5607      1.00000
     82      -7.3390      1.00000
     83      -7.3229      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0125      1.00000
     88      -6.7047      1.00000
     89      -6.6783      1.00000
     90      -6.6413      1.00000
     91      -6.5979      1.00000
     92      -6.1159      1.00000
     93      -6.0624      1.00000
     94      -6.0313      1.00000
     95      -6.0116      1.00000
     96      -5.7834      1.00000
     97      -4.9745      1.00000
     98      -4.8322      1.00000
     99      -4.7471      1.00000
    100      -4.6795      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1719      1.00000
    104      -4.1280      1.00000
    105      -3.7296      1.00000
    106      -3.4878      1.00000
    107      -1.8703      0.00000
    108      -1.8089      0.00000
    109      -1.5244      0.00000
    110      -1.3775      0.00000
    111      -1.3214      0.00000
    112      -1.2880      0.00000
    113      -0.7199      0.00000
    114      -0.3760      0.00000
    115      -0.2499      0.00000
    116       0.0369      0.00000
    117       0.5558      0.00000
    118       0.6985      0.00000
    119       0.7464      0.00000
    120       1.0480      0.00000
    121       1.1000      0.00000
    122       1.1498      0.00000
    123       1.2274      0.00000
    124       1.3777      0.00000
    125       1.5236      0.00000
    126       1.5830      0.00000
    127       1.7151      0.00000
    128       1.8122      0.00000
    129       1.8575      0.00000
    130       1.8817      0.00000
    131       2.0959      0.00000
    132       2.1870      0.00000
    133       2.2411      0.00000
    134       2.3061      0.00000
    135       2.5132      0.00000
    136       2.5891      0.00000
    137       2.6368      0.00000
    138       2.7787      0.00000
    139       2.7948      0.00000
    140       2.8261      0.00000
    141       2.8565      0.00000
    142       2.8998      0.00000
    143       2.9410      0.00000
    144       3.0809      0.00000
    145       3.1536      0.00000
    146       3.3166      0.00000
    147       3.3803      0.00000
    148       3.4269      0.00000
    149       3.4662      0.00000
    150       3.6160      0.00000
    151       3.6455      0.00000
    152       3.6655      0.00000
    153       3.7119      0.00000
    154       3.9100      0.00000
    155       3.9594      0.00000
    156       4.0163      0.00000
    157       4.0666      0.00000
    158       4.2366      0.00000
    159       4.2505      0.00000
    160       4.2752      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2849      1.00000
      2     -22.0793      1.00000
      3     -21.7179      1.00000
      4     -21.6861      1.00000
      5     -20.9806      1.00000
      6     -20.9400      1.00000
      7     -20.6130      1.00000
      8     -20.5763      1.00000
      9     -20.5700      1.00000
     10     -20.0337      1.00000
     11     -19.5044      1.00000
     12     -19.4926      1.00000
     13     -19.3078      1.00000
     14     -19.3026      1.00000
     15     -18.4485      1.00000
     16     -18.4118      1.00000
     17     -17.9231      1.00000
     18     -17.9137      1.00000
     19     -17.7623      1.00000
     20     -17.7266      1.00000
     21     -17.4366      1.00000
     22     -17.4292      1.00000
     23     -17.3415      1.00000
     24     -16.4635      1.00000
     25     -16.4623      1.00000
     26     -15.9678      1.00000
     27     -15.4151      1.00000
     28     -15.4096      1.00000
     29     -15.0973      1.00000
     30     -15.0939      1.00000
     31     -14.8555      1.00000
     32     -14.8478      1.00000
     33     -14.2908      1.00000
     34     -14.2580      1.00000
     35     -13.4371      1.00000
     36     -13.4045      1.00000
     37     -13.1779      1.00000
     38     -13.1746      1.00000
     39     -12.9826      1.00000
     40     -12.9777      1.00000
     41     -12.6134      1.00000
     42     -12.6103      1.00000
     43     -12.1981      1.00000
     44     -11.5771      1.00000
     45     -11.5434      1.00000
     46     -11.3112      1.00000
     47     -11.2884      1.00000
     48     -11.1423      1.00000
     49     -10.6767      1.00000
     50     -10.6607      1.00000
     51     -10.5537      1.00000
     52     -10.3237      1.00000
     53     -10.3181      1.00000
     54     -10.1699      1.00000
     55     -10.1156      1.00000
     56     -10.1130      1.00000
     57      -9.7987      1.00000
     58      -9.7651      1.00000
     59      -9.7524      1.00000
     60      -9.7004      1.00000
     61      -9.6972      1.00000
     62      -9.6627      1.00000
     63      -9.3546      1.00000
     64      -9.3518      1.00000
     65      -9.3158      1.00000
     66      -9.0415      1.00000
     67      -8.9623      1.00000
     68      -8.9499      1.00000
     69      -8.8000      1.00000
     70      -8.5952      1.00000
     71      -8.5581      1.00000
     72      -8.3988      1.00000
     73      -8.3653      1.00000
     74      -8.3247      1.00000
     75      -8.3072      1.00000
     76      -8.2590      1.00000
     77      -8.2574      1.00000
     78      -8.2365      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3866      1.00000
     83      -7.3495      1.00000
     84      -7.2309      1.00000
     85      -7.0967      1.00000
     86      -7.0391      1.00000
     87      -6.9342      1.00000
     88      -6.8483      1.00000
     89      -6.6127      1.00000
     90      -6.5588      1.00000
     91      -6.2698      1.00000
     92      -6.0440      1.00000
     93      -5.9518      1.00000
     94      -5.6629      1.00000
     95      -5.6228      1.00000
     96      -5.4633      1.00000
     97      -5.3201      1.00000
     98      -5.2789      1.00000
     99      -5.2140      1.00000
    100      -5.1939      1.00000
    101      -4.5084      1.00000
    102      -4.2077      1.00000
    103      -4.0593      1.00000
    104      -3.9892      1.00000
    105      -3.6943      1.00000
    106      -3.4980      1.00000
    107      -1.9462      0.00000
    108      -1.8963      0.00000
    109      -1.3390      0.00000
    110      -1.0848      0.00000
    111      -1.0582      0.00000
    112      -0.8003      0.00000
    113      -0.6776      0.00000
    114      -0.6468      0.00000
    115      -0.6072      0.00000
    116      -0.1080      0.00000
    117       0.2155      0.00000
    118       0.3291      0.00000
    119       0.6942      0.00000
    120       0.8876      0.00000
    121       1.1273      0.00000
    122       1.1992      0.00000
    123       1.3264      0.00000
    124       1.4209      0.00000
    125       1.5543      0.00000
    126       1.5763      0.00000
    127       1.6797      0.00000
    128       1.8076      0.00000
    129       1.8819      0.00000
    130       2.0551      0.00000
    131       2.1212      0.00000
    132       2.3248      0.00000
    133       2.3581      0.00000
    134       2.3959      0.00000
    135       2.5461      0.00000
    136       2.6303      0.00000
    137       2.7294      0.00000
    138       2.7543      0.00000
    139       2.8232      0.00000
    140       2.8805      0.00000
    141       3.0469      0.00000
    142       3.0564      0.00000
    143       3.1630      0.00000
    144       3.2637      0.00000
    145       3.3609      0.00000
    146       3.4152      0.00000
    147       3.4325      0.00000
    148       3.5655      0.00000
    149       3.5828      0.00000
    150       3.5993      0.00000
    151       3.6596      0.00000
    152       3.6746      0.00000
    153       3.7795      0.00000
    154       3.7997      0.00000
    155       3.8043      0.00000
    156       3.8924      0.00000
    157       3.9217      0.00000
    158       3.9931      0.00000
    159       4.2141      0.00000
    160       4.2248      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.9641      1.00000
      3     -21.8950      1.00000
      4     -21.3822      1.00000
      5     -21.3529      1.00000
      6     -20.8409      1.00000
      7     -20.7756      1.00000
      8     -20.6252      1.00000
      9     -20.0787      1.00000
     10     -20.0731      1.00000
     11     -19.7178      1.00000
     12     -19.6934      1.00000
     13     -18.9975      1.00000
     14     -18.9916      1.00000
     15     -18.6416      1.00000
     16     -18.6257      1.00000
     17     -18.4630      1.00000
     18     -17.6760      1.00000
     19     -17.6256      1.00000
     20     -17.6228      1.00000
     21     -17.5809      1.00000
     22     -17.1273      1.00000
     23     -17.1058      1.00000
     24     -16.9627      1.00000
     25     -16.0023      1.00000
     26     -15.9305      1.00000
     27     -15.5865      1.00000
     28     -15.5861      1.00000
     29     -15.2876      1.00000
     30     -14.8647      1.00000
     31     -14.8375      1.00000
     32     -14.5795      1.00000
     33     -14.5376      1.00000
     34     -14.1694      1.00000
     35     -14.1558      1.00000
     36     -13.1484      1.00000
     37     -13.1012      1.00000
     38     -13.0301      1.00000
     39     -13.0200      1.00000
     40     -12.7095      1.00000
     41     -12.7053      1.00000
     42     -12.3422      1.00000
     43     -12.3110      1.00000
     44     -11.6365      1.00000
     45     -11.6229      1.00000
     46     -11.5727      1.00000
     47     -10.9501      1.00000
     48     -10.9170      1.00000
     49     -10.6329      1.00000
     50     -10.6248      1.00000
     51     -10.5479      1.00000
     52     -10.5002      1.00000
     53     -10.4999      1.00000
     54     -10.4399      1.00000
     55     -10.3607      1.00000
     56     -10.1001      1.00000
     57      -9.9042      1.00000
     58      -9.6087      1.00000
     59      -9.5565      1.00000
     60      -9.4530      1.00000
     61      -9.4126      1.00000
     62      -9.4056      1.00000
     63      -9.3775      1.00000
     64      -9.3772      1.00000
     65      -9.2880      1.00000
     66      -9.1690      1.00000
     67      -9.1435      1.00000
     68      -9.1151      1.00000
     69      -8.8651      1.00000
     70      -8.8576      1.00000
     71      -8.8157      1.00000
     72      -8.5975      1.00000
     73      -8.4805      1.00000
     74      -8.1991      1.00000
     75      -8.1636      1.00000
     76      -8.0093      1.00000
     77      -7.9640      1.00000
     78      -7.8507      1.00000
     79      -7.8406      1.00000
     80      -7.7044      1.00000
     81      -7.6970      1.00000
     82      -7.6224      1.00000
     83      -7.4490      1.00000
     84      -7.3009      1.00000
     85      -7.2532      1.00000
     86      -6.9065      1.00000
     87      -6.8928      1.00000
     88      -6.5890      1.00000
     89      -6.5515      1.00000
     90      -6.4062      1.00000
     91      -6.2537      1.00000
     92      -6.2330      1.00000
     93      -6.2055      1.00000
     94      -6.0232      1.00000
     95      -5.5502      1.00000
     96      -5.4891      1.00000
     97      -5.3505      1.00000
     98      -5.2198      1.00000
     99      -4.9795      1.00000
    100      -4.7326      1.00000
    101      -4.6781      1.00000
    102      -4.3875      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5464      1.00000
    106      -3.5100      1.00000
    107      -2.2563      0.00000
    108      -1.4566      0.00000
    109      -1.3712      0.00000
    110      -1.2418      0.00000
    111      -1.0979      0.00000
    112      -0.9450      0.00000
    113      -0.8637      0.00000
    114      -0.8032      0.00000
    115      -0.1393      0.00000
    116       0.1111      0.00000
    117       0.2407      0.00000
    118       0.3777      0.00000
    119       0.6517      0.00000
    120       0.8359      0.00000
    121       0.9366      0.00000
    122       1.0638      0.00000
    123       1.2334      0.00000
    124       1.4480      0.00000
    125       1.5507      0.00000
    126       1.7664      0.00000
    127       1.7929      0.00000
    128       1.8721      0.00000
    129       1.9696      0.00000
    130       2.0436      0.00000
    131       2.1763      0.00000
    132       2.1922      0.00000
    133       2.4106      0.00000
    134       2.4557      0.00000
    135       2.5273      0.00000
    136       2.6043      0.00000
    137       2.6374      0.00000
    138       2.6958      0.00000
    139       2.7767      0.00000
    140       2.8341      0.00000
    141       2.9494      0.00000
    142       3.0821      0.00000
    143       3.2013      0.00000
    144       3.2065      0.00000
    145       3.2546      0.00000
    146       3.3245      0.00000
    147       3.3269      0.00000
    148       3.4660      0.00000
    149       3.4998      0.00000
    150       3.6980      0.00000
    151       3.7108      0.00000
    152       3.7258      0.00000
    153       3.8578      0.00000
    154       3.9117      0.00000
    155       3.9453      0.00000
    156       3.9805      0.00000
    157       4.0121      0.00000
    158       4.0340      0.00000
    159       4.0492      0.00000
    160       4.0648      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2118      1.00000
      2     -22.1189      1.00000
      3     -21.9582      1.00000
      4     -21.4057      1.00000
      5     -21.0510      1.00000
      6     -21.0151      1.00000
      7     -20.5019      1.00000
      8     -20.4624      1.00000
      9     -20.2961      1.00000
     10     -20.2768      1.00000
     11     -19.9587      1.00000
     12     -19.8930      1.00000
     13     -18.8835      1.00000
     14     -18.8148      1.00000
     15     -18.3538      1.00000
     16     -18.3076      1.00000
     17     -18.1540      1.00000
     18     -18.1368      1.00000
     19     -17.8276      1.00000
     20     -17.7900      1.00000
     21     -17.2525      1.00000
     22     -17.2425      1.00000
     23     -17.1655      1.00000
     24     -17.1337      1.00000
     25     -16.1110      1.00000
     26     -15.8865      1.00000
     27     -15.8711      1.00000
     28     -15.8349      1.00000
     29     -15.2371      1.00000
     30     -14.5559      1.00000
     31     -14.5280      1.00000
     32     -14.2808      1.00000
     33     -13.9644      1.00000
     34     -13.9569      1.00000
     35     -13.8209      1.00000
     36     -13.8051      1.00000
     37     -13.6154      1.00000
     38     -13.5716      1.00000
     39     -13.3710      1.00000
     40     -12.6354      1.00000
     41     -12.1816      1.00000
     42     -12.1336      1.00000
     43     -12.0730      1.00000
     44     -12.0207      1.00000
     45     -11.6701      1.00000
     46     -11.6566      1.00000
     47     -11.1395      1.00000
     48     -11.1189      1.00000
     49     -10.7954      1.00000
     50     -10.7318      1.00000
     51     -10.5294      1.00000
     52     -10.2091      1.00000
     53     -10.2064      1.00000
     54     -10.1654      1.00000
     55     -10.0184      1.00000
     56     -10.0049      1.00000
     57      -9.9913      1.00000
     58      -9.8018      1.00000
     59      -9.7980      1.00000
     60      -9.7627      1.00000
     61      -9.7579      1.00000
     62      -9.4552      1.00000
     63      -9.4180      1.00000
     64      -9.0810      1.00000
     65      -9.0729      1.00000
     66      -9.0412      1.00000
     67      -8.9558      1.00000
     68      -8.8778      1.00000
     69      -8.7126      1.00000
     70      -8.7003      1.00000
     71      -8.5664      1.00000
     72      -8.5435      1.00000
     73      -8.4998      1.00000
     74      -8.4630      1.00000
     75      -8.4538      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0438      1.00000
     79      -7.9160      1.00000
     80      -7.8635      1.00000
     81      -7.6151      1.00000
     82      -7.5489      1.00000
     83      -7.4902      1.00000
     84      -7.2680      1.00000
     85      -6.9954      1.00000
     86      -6.9233      1.00000
     87      -6.8822      1.00000
     88      -6.5327      1.00000
     89      -6.4874      1.00000
     90      -6.4615      1.00000
     91      -6.4104      1.00000
     92      -5.9841      1.00000
     93      -5.8976      1.00000
     94      -5.7847      1.00000
     95      -5.7598      1.00000
     96      -5.4322      1.00000
     97      -5.3294      1.00000
     98      -5.2303      1.00000
     99      -5.2178      1.00000
    100      -5.1885      1.00000
    101      -4.6922      1.00000
    102      -4.4215      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5291      1.00000
    106      -3.2742      1.00000
    107      -2.5312      0.00000
    108      -1.4581      0.00000
    109      -1.2666      0.00000
    110      -1.2029      0.00000
    111      -1.1725      0.00000
    112      -0.7196      0.00000
    113      -0.5034      0.00000
    114      -0.4119      0.00000
    115      -0.3395      0.00000
    116      -0.1459      0.00000
    117      -0.0028      0.00000
    118       0.1939      0.00000
    119       0.5613      0.00000
    120       0.6126      0.00000
    121       0.7963      0.00000
    122       0.9069      0.00000
    123       1.1325      0.00000
    124       1.4936      0.00000
    125       1.6347      0.00000
    126       1.8532      0.00000
    127       1.9269      0.00000
    128       2.1056      0.00000
    129       2.1159      0.00000
    130       2.1477      0.00000
    131       2.1860      0.00000
    132       2.2799      0.00000
    133       2.3370      0.00000
    134       2.4674      0.00000
    135       2.5800      0.00000
    136       2.6574      0.00000
    137       2.8546      0.00000
    138       2.8716      0.00000
    139       2.8936      0.00000
    140       3.0151      0.00000
    141       3.0240      0.00000
    142       3.1404      0.00000
    143       3.1788      0.00000
    144       3.2322      0.00000
    145       3.2733      0.00000
    146       3.2845      0.00000
    147       3.3005      0.00000
    148       3.3467      0.00000
    149       3.4232      0.00000
    150       3.4440      0.00000
    151       3.5521      0.00000
    152       3.6221      0.00000
    153       3.7043      0.00000
    154       3.7284      0.00000
    155       3.7729      0.00000
    156       3.8947      0.00000
    157       3.9395      0.00000
    158       4.0048      0.00000
    159       4.1317      0.00000
    160       4.2233      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3187      1.00000
      2     -21.9657      1.00000
      3     -21.8935      1.00000
      4     -21.3859      1.00000
      5     -21.3494      1.00000
      6     -20.8407      1.00000
      7     -20.7743      1.00000
      8     -20.6262      1.00000
      9     -20.0907      1.00000
     10     -20.0619      1.00000
     11     -19.7195      1.00000
     12     -19.6907      1.00000
     13     -19.0108      1.00000
     14     -18.9797      1.00000
     15     -18.6507      1.00000
     16     -18.6179      1.00000
     17     -18.4616      1.00000
     18     -17.6613      1.00000
     19     -17.6476      1.00000
     20     -17.6114      1.00000
     21     -17.5788      1.00000
     22     -17.1380      1.00000
     23     -17.0981      1.00000
     24     -16.9664      1.00000
     25     -16.0087      1.00000
     26     -15.9239      1.00000
     27     -15.5998      1.00000
     28     -15.5762      1.00000
     29     -15.2803      1.00000
     30     -14.8774      1.00000
     31     -14.8304      1.00000
     32     -14.5753      1.00000
     33     -14.5375      1.00000
     34     -14.1644      1.00000
     35     -14.1603      1.00000
     36     -13.1627      1.00000
     37     -13.0968      1.00000
     38     -13.0238      1.00000
     39     -13.0189      1.00000
     40     -12.7185      1.00000
     41     -12.6952      1.00000
     42     -12.3414      1.00000
     43     -12.3142      1.00000
     44     -11.6318      1.00000
     45     -11.6226      1.00000
     46     -11.5707      1.00000
     47     -10.9412      1.00000
     48     -10.9234      1.00000
     49     -10.6695      1.00000
     50     -10.5901      1.00000
     51     -10.5736      1.00000
     52     -10.5011      1.00000
     53     -10.4897      1.00000
     54     -10.4394      1.00000
     55     -10.3568      1.00000
     56     -10.1044      1.00000
     57      -9.8984      1.00000
     58      -9.6092      1.00000
     59      -9.5520      1.00000
     60      -9.4548      1.00000
     61      -9.4181      1.00000
     62      -9.4099      1.00000
     63      -9.3799      1.00000
     64      -9.3727      1.00000
     65      -9.2681      1.00000
     66      -9.1652      1.00000
     67      -9.1413      1.00000
     68      -9.1159      1.00000
     69      -8.8663      1.00000
     70      -8.8602      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1932      1.00000
     75      -8.1706      1.00000
     76      -8.0761      1.00000
     77      -7.8580      1.00000
     78      -7.8372      1.00000
     79      -7.8242      1.00000
     80      -7.7106      1.00000
     81      -7.6962      1.00000
     82      -7.5977      1.00000
     83      -7.5301      1.00000
     84      -7.3507      1.00000
     85      -7.1679      1.00000
     86      -6.9052      1.00000
     87      -6.8959      1.00000
     88      -6.5928      1.00000
     89      -6.5516      1.00000
     90      -6.4062      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2009      1.00000
     94      -6.0042      1.00000
     95      -5.5320      1.00000
     96      -5.4654      1.00000
     97      -5.3142      1.00000
     98      -5.2096      1.00000
     99      -5.0470      1.00000
    100      -4.7236      1.00000
    101      -4.6716      1.00000
    102      -4.4239      1.00000
    103      -4.1947      1.00000
    104      -3.8428      1.00000
    105      -3.6345      1.00000
    106      -3.4163      1.00000
    107      -2.2925      0.00000
    108      -1.5093      0.00000
    109      -1.2700      0.00000
    110      -1.2623      0.00000
    111      -1.0343      0.00000
    112      -0.9778      0.00000
    113      -0.8681      0.00000
    114      -0.7998      0.00000
    115      -0.2616      0.00000
    116       0.2044      0.00000
    117       0.2396      0.00000
    118       0.3600      0.00000
    119       0.6909      0.00000
    120       0.8942      0.00000
    121       0.9239      0.00000
    122       1.0405      0.00000
    123       1.1670      0.00000
    124       1.5097      0.00000
    125       1.5596      0.00000
    126       1.7104      0.00000
    127       1.7787      0.00000
    128       1.8330      0.00000
    129       1.9619      0.00000
    130       1.9848      0.00000
    131       2.1826      0.00000
    132       2.2620      0.00000
    133       2.4155      0.00000
    134       2.4623      0.00000
    135       2.5248      0.00000
    136       2.6007      0.00000
    137       2.6188      0.00000
    138       2.6992      0.00000
    139       2.7564      0.00000
    140       2.8629      0.00000
    141       3.0361      0.00000
    142       3.0803      0.00000
    143       3.1882      0.00000
    144       3.2430      0.00000
    145       3.2561      0.00000
    146       3.2963      0.00000
    147       3.3535      0.00000
    148       3.4512      0.00000
    149       3.5204      0.00000
    150       3.6919      0.00000
    151       3.7173      0.00000
    152       3.7471      0.00000
    153       3.8302      0.00000
    154       3.8896      0.00000
    155       3.9320      0.00000
    156       3.9787      0.00000
    157       4.0084      0.00000
    158       4.0382      0.00000
    159       4.0454      0.00000
    160       4.0828      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8320      1.00000
      3     -21.6427      1.00000
      4     -21.6076      1.00000
      5     -21.2800      1.00000
      6     -21.2330      1.00000
      7     -21.0576      1.00000
      8     -20.1726      1.00000
      9     -20.1264      1.00000
     10     -19.6179      1.00000
     11     -19.5917      1.00000
     12     -19.4167      1.00000
     13     -19.0956      1.00000
     14     -19.0569      1.00000
     15     -19.0525      1.00000
     16     -19.0397      1.00000
     17     -18.3676      1.00000
     18     -18.3478      1.00000
     19     -18.0175      1.00000
     20     -17.0731      1.00000
     21     -17.0243      1.00000
     22     -16.9503      1.00000
     23     -16.9364      1.00000
     24     -16.4753      1.00000
     25     -16.4634      1.00000
     26     -15.6101      1.00000
     27     -15.6096      1.00000
     28     -15.2505      1.00000
     29     -15.2384      1.00000
     30     -15.1923      1.00000
     31     -15.1022      1.00000
     32     -15.0692      1.00000
     33     -14.6988      1.00000
     34     -14.6978      1.00000
     35     -13.7254      1.00000
     36     -13.7253      1.00000
     37     -13.2359      1.00000
     38     -12.6247      1.00000
     39     -12.5805      1.00000
     40     -12.4555      1.00000
     41     -12.4501      1.00000
     42     -12.1053      1.00000
     43     -12.1003      1.00000
     44     -11.7219      1.00000
     45     -11.6833      1.00000
     46     -11.2456      1.00000
     47     -11.2249      1.00000
     48     -11.0182      1.00000
     49     -11.0065      1.00000
     50     -10.9280      1.00000
     51     -10.8994      1.00000
     52     -10.6376      1.00000
     53     -10.1729      1.00000
     54     -10.1499      1.00000
     55     -10.0852      1.00000
     56      -9.9926      1.00000
     57      -9.6966      1.00000
     58      -9.6901      1.00000
     59      -9.6710      1.00000
     60      -9.5915      1.00000
     61      -9.5674      1.00000
     62      -9.5543      1.00000
     63      -9.3132      1.00000
     64      -9.3005      1.00000
     65      -9.2837      1.00000
     66      -9.2430      1.00000
     67      -9.1227      1.00000
     68      -9.1129      1.00000
     69      -9.1113      1.00000
     70      -8.9401      1.00000
     71      -8.8752      1.00000
     72      -8.6049      1.00000
     73      -8.5862      1.00000
     74      -8.2712      1.00000
     75      -8.1016      1.00000
     76      -7.8675      1.00000
     77      -7.8440      1.00000
     78      -7.7907      1.00000
     79      -7.7650      1.00000
     80      -7.7560      1.00000
     81      -7.4473      1.00000
     82      -7.3350      1.00000
     83      -7.3234      1.00000
     84      -7.2664      1.00000
     85      -7.1628      1.00000
     86      -7.0148      1.00000
     87      -6.9867      1.00000
     88      -6.7179      1.00000
     89      -6.6908      1.00000
     90      -6.6319      1.00000
     91      -6.5907      1.00000
     92      -6.1179      1.00000
     93      -6.0590      1.00000
     94      -6.0448      1.00000
     95      -6.0286      1.00000
     96      -5.7481      1.00000
     97      -4.9748      1.00000
     98      -4.8397      1.00000
     99      -4.7091      1.00000
    100      -4.6735      1.00000
    101      -4.4836      1.00000
    102      -4.3522      1.00000
    103      -4.1119      1.00000
    104      -4.0556      1.00000
    105      -3.7550      1.00000
    106      -3.4654      1.00000
    107      -1.9506      0.00000
    108      -1.7711      0.00000
    109      -1.4798      0.00000
    110      -1.3555      0.00000
    111      -1.3359      0.00000
    112      -1.2926      0.00000
    113      -0.6785      0.00000
    114      -0.4719      0.00000
    115      -0.2354      0.00000
    116       0.0516      0.00000
    117       0.5875      0.00000
    118       0.6924      0.00000
    119       0.7701      0.00000
    120       1.0228      0.00000
    121       1.0970      0.00000
    122       1.1767      0.00000
    123       1.2501      0.00000
    124       1.3347      0.00000
    125       1.4335      0.00000
    126       1.5991      0.00000
    127       1.7615      0.00000
    128       1.8428      0.00000
    129       1.8597      0.00000
    130       1.8876      0.00000
    131       2.0444      0.00000
    132       2.2172      0.00000
    133       2.2326      0.00000
    134       2.2857      0.00000
    135       2.4794      0.00000
    136       2.6168      0.00000
    137       2.6398      0.00000
    138       2.7528      0.00000
    139       2.7923      0.00000
    140       2.8363      0.00000
    141       2.8475      0.00000
    142       2.8678      0.00000
    143       2.9443      0.00000
    144       3.0853      0.00000
    145       3.3134      0.00000
    146       3.3541      0.00000
    147       3.4042      0.00000
    148       3.4166      0.00000
    149       3.4217      0.00000
    150       3.5995      0.00000
    151       3.6470      0.00000
    152       3.6749      0.00000
    153       3.7299      0.00000
    154       3.8950      0.00000
    155       3.9239      0.00000
    156       3.9544      0.00000
    157       4.1061      0.00000
    158       4.2047      0.00000
    159       4.2540      0.00000
    160       4.2825      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2109      1.00000
      2     -22.1202      1.00000
      3     -21.9578      1.00000
      4     -21.4058      1.00000
      5     -21.0472      1.00000
      6     -21.0189      1.00000
      7     -20.4970      1.00000
      8     -20.4672      1.00000
      9     -20.2873      1.00000
     10     -20.2853      1.00000
     11     -19.9576      1.00000
     12     -19.8945      1.00000
     13     -18.8842      1.00000
     14     -18.8166      1.00000
     15     -18.3385      1.00000
     16     -18.3195      1.00000
     17     -18.1498      1.00000
     18     -18.1424      1.00000
     19     -17.8165      1.00000
     20     -17.7985      1.00000
     21     -17.2587      1.00000
     22     -17.2391      1.00000
     23     -17.1608      1.00000
     24     -17.1360      1.00000
     25     -16.1174      1.00000
     26     -15.8812      1.00000
     27     -15.8701      1.00000
     28     -15.8409      1.00000
     29     -15.2314      1.00000
     30     -14.5513      1.00000
     31     -14.5329      1.00000
     32     -14.2760      1.00000
     33     -13.9755      1.00000
     34     -13.9519      1.00000
     35     -13.8253      1.00000
     36     -13.8030      1.00000
     37     -13.6044      1.00000
     38     -13.5792      1.00000
     39     -13.3712      1.00000
     40     -12.6396      1.00000
     41     -12.1691      1.00000
     42     -12.1428      1.00000
     43     -12.0685      1.00000
     44     -12.0217      1.00000
     45     -11.6654      1.00000
     46     -11.6608      1.00000
     47     -11.1368      1.00000
     48     -11.1258      1.00000
     49     -10.7905      1.00000
     50     -10.7344      1.00000
     51     -10.5361      1.00000
     52     -10.2089      1.00000
     53     -10.2028      1.00000
     54     -10.1711      1.00000
     55     -10.0233      1.00000
     56      -9.9948      1.00000
     57      -9.9907      1.00000
     58      -9.8055      1.00000
     59      -9.7965      1.00000
     60      -9.7648      1.00000
     61      -9.7569      1.00000
     62      -9.4544      1.00000
     63      -9.4179      1.00000
     64      -9.0852      1.00000
     65      -9.0463      1.00000
     66      -9.0260      1.00000
     67      -8.9698      1.00000
     68      -8.8982      1.00000
     69      -8.7086      1.00000
     70      -8.6993      1.00000
     71      -8.5600      1.00000
     72      -8.5492      1.00000
     73      -8.4782      1.00000
     74      -8.4598      1.00000
     75      -8.4571      1.00000
     76      -8.3087      1.00000
     77      -8.0954      1.00000
     78      -8.0896      1.00000
     79      -7.9269      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5369      1.00000
     83      -7.4437      1.00000
     84      -7.3142      1.00000
     85      -6.9941      1.00000
     86      -6.9194      1.00000
     87      -6.8824      1.00000
     88      -6.5277      1.00000
     89      -6.5149      1.00000
     90      -6.4808      1.00000
     91      -6.4207      1.00000
     92      -5.9273      1.00000
     93      -5.9054      1.00000
     94      -5.7889      1.00000
     95      -5.7751      1.00000
     96      -5.3695      1.00000
     97      -5.3632      1.00000
     98      -5.2204      1.00000
     99      -5.2155      1.00000
    100      -5.1989      1.00000
    101      -4.7204      1.00000
    102      -4.4423      1.00000
    103      -4.1909      1.00000
    104      -3.8204      1.00000
    105      -3.5655      1.00000
    106      -3.2215      1.00000
    107      -2.5626      0.00000
    108      -1.4632      0.00000
    109      -1.2673      0.00000
    110      -1.1852      0.00000
    111      -1.1837      0.00000
    112      -0.6447      0.00000
    113      -0.5514      0.00000
    114      -0.4147      0.00000
    115      -0.3474      0.00000
    116      -0.0776      0.00000
    117      -0.0633      0.00000
    118       0.1260      0.00000
    119       0.5931      0.00000
    120       0.6265      0.00000
    121       0.8552      0.00000
    122       0.9857      0.00000
    123       1.0034      0.00000
    124       1.4941      0.00000
    125       1.6837      0.00000
    126       1.7656      0.00000
    127       1.8607      0.00000
    128       2.1133      0.00000
    129       2.1418      0.00000
    130       2.1884      0.00000
    131       2.2103      0.00000
    132       2.2559      0.00000
    133       2.3518      0.00000
    134       2.4942      0.00000
    135       2.5093      0.00000
    136       2.6648      0.00000
    137       2.8526      0.00000
    138       2.8594      0.00000
    139       2.9535      0.00000
    140       3.0025      0.00000
    141       3.0384      0.00000
    142       3.1355      0.00000
    143       3.1912      0.00000
    144       3.2453      0.00000
    145       3.2498      0.00000
    146       3.2799      0.00000
    147       3.3032      0.00000
    148       3.3545      0.00000
    149       3.4186      0.00000
    150       3.5492      0.00000
    151       3.5652      0.00000
    152       3.6470      0.00000
    153       3.6619      0.00000
    154       3.7003      0.00000
    155       3.7260      0.00000
    156       3.8971      0.00000
    157       3.9594      0.00000
    158       4.0365      0.00000
    159       4.0765      0.00000
    160       4.1847      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2845      1.00000
      2     -22.0799      1.00000
      3     -21.7215      1.00000
      4     -21.6822      1.00000
      5     -20.9839      1.00000
      6     -20.9362      1.00000
      7     -20.6125      1.00000
      8     -20.5803      1.00000
      9     -20.5667      1.00000
     10     -20.0333      1.00000
     11     -19.5143      1.00000
     12     -19.4842      1.00000
     13     -19.3123      1.00000
     14     -19.2992      1.00000
     15     -18.4505      1.00000
     16     -18.4074      1.00000
     17     -17.9283      1.00000
     18     -17.9079      1.00000
     19     -17.7667      1.00000
     20     -17.7218      1.00000
     21     -17.4423      1.00000
     22     -17.4238      1.00000
     23     -17.3389      1.00000
     24     -16.4714      1.00000
     25     -16.4612      1.00000
     26     -15.9714      1.00000
     27     -15.4115      1.00000
     28     -15.4105      1.00000
     29     -15.0964      1.00000
     30     -15.0934      1.00000
     31     -14.8535      1.00000
     32     -14.8412      1.00000
     33     -14.2984      1.00000
     34     -14.2547      1.00000
     35     -13.4448      1.00000
     36     -13.4009      1.00000
     37     -13.1755      1.00000
     38     -13.1741      1.00000
     39     -12.9864      1.00000
     40     -12.9775      1.00000
     41     -12.6110      1.00000
     42     -12.6089      1.00000
     43     -12.1973      1.00000
     44     -11.5798      1.00000
     45     -11.5387      1.00000
     46     -11.3137      1.00000
     47     -11.2834      1.00000
     48     -11.1425      1.00000
     49     -10.6926      1.00000
     50     -10.6632      1.00000
     51     -10.5475      1.00000
     52     -10.3228      1.00000
     53     -10.3151      1.00000
     54     -10.1762      1.00000
     55     -10.1214      1.00000
     56     -10.1082      1.00000
     57      -9.8119      1.00000
     58      -9.7529      1.00000
     59      -9.7525      1.00000
     60      -9.7026      1.00000
     61      -9.6987      1.00000
     62      -9.6473      1.00000
     63      -9.3530      1.00000
     64      -9.3516      1.00000
     65      -9.3180      1.00000
     66      -9.0282      1.00000
     67      -8.9618      1.00000
     68      -8.9581      1.00000
     69      -8.7758      1.00000
     70      -8.5917      1.00000
     71      -8.5886      1.00000
     72      -8.4241      1.00000
     73      -8.3499      1.00000
     74      -8.3225      1.00000
     75      -8.3024      1.00000
     76      -8.2658      1.00000
     77      -8.2542      1.00000
     78      -8.2394      1.00000
     79      -7.9217      1.00000
     80      -7.7341      1.00000
     81      -7.3799      1.00000
     82      -7.3503      1.00000
     83      -7.3236      1.00000
     84      -7.2175      1.00000
     85      -7.1605      1.00000
     86      -7.0654      1.00000
     87      -6.9610      1.00000
     88      -6.9054      1.00000
     89      -6.6133      1.00000
     90      -6.5568      1.00000
     91      -6.2709      1.00000
     92      -5.9968      1.00000
     93      -5.9596      1.00000
     94      -5.6753      1.00000
     95      -5.6488      1.00000
     96      -5.3875      1.00000
     97      -5.3152      1.00000
     98      -5.2941      1.00000
     99      -5.2121      1.00000
    100      -5.2005      1.00000
    101      -4.5115      1.00000
    102      -4.3388      1.00000
    103      -3.9965      1.00000
    104      -3.8859      1.00000
    105      -3.7929      1.00000
    106      -3.4433      1.00000
    107      -2.0345      0.00000
    108      -1.8634      0.00000
    109      -1.2176      0.00000
    110      -1.1842      0.00000
    111      -1.0358      0.00000
    112      -0.7722      0.00000
    113      -0.6772      0.00000
    114      -0.6599      0.00000
    115      -0.6096      0.00000
    116      -0.1017      0.00000
    117       0.2226      0.00000
    118       0.2397      0.00000
    119       0.7697      0.00000
    120       0.9839      0.00000
    121       1.0739      0.00000
    122       1.2415      0.00000
    123       1.2511      0.00000
    124       1.3409      0.00000
    125       1.5784      0.00000
    126       1.5852      0.00000
    127       1.7020      0.00000
    128       1.7968      0.00000
    129       1.9464      0.00000
    130       1.9615      0.00000
    131       2.0815      0.00000
    132       2.2918      0.00000
    133       2.3417      0.00000
    134       2.4163      0.00000
    135       2.5429      0.00000
    136       2.6282      0.00000
    137       2.7630      0.00000
    138       2.8262      0.00000
    139       2.8433      0.00000
    140       2.8654      0.00000
    141       3.0446      0.00000
    142       3.1000      0.00000
    143       3.1524      0.00000
    144       3.2201      0.00000
    145       3.3741      0.00000
    146       3.4132      0.00000
    147       3.5035      0.00000
    148       3.5485      0.00000
    149       3.5904      0.00000
    150       3.6095      0.00000
    151       3.6469      0.00000
    152       3.7352      0.00000
    153       3.7445      0.00000
    154       3.7752      0.00000
    155       3.8131      0.00000
    156       3.8755      0.00000
    157       4.0202      0.00000
    158       4.0862      0.00000
    159       4.1685      0.00000
    160       4.2108      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4276      1.00000
      2     -21.6043      1.00000
      3     -21.4826      1.00000
      4     -21.4735      1.00000
      5     -21.4420      1.00000
      6     -21.4412      1.00000
      7     -21.4310      1.00000
      8     -19.7085      1.00000
      9     -19.6536      1.00000
     10     -19.6303      1.00000
     11     -19.6192      1.00000
     12     -19.6140      1.00000
     13     -19.6130      1.00000
     14     -18.7906      1.00000
     15     -18.7555      1.00000
     16     -18.7357      1.00000
     17     -18.7261      1.00000
     18     -18.7190      1.00000
     19     -18.7137      1.00000
     20     -16.6354      1.00000
     21     -16.6096      1.00000
     22     -16.5852      1.00000
     23     -16.5818      1.00000
     24     -16.5548      1.00000
     25     -16.5531      1.00000
     26     -15.6154      1.00000
     27     -15.6027      1.00000
     28     -15.5994      1.00000
     29     -15.5653      1.00000
     30     -15.5636      1.00000
     31     -15.5626      1.00000
     32     -14.2603      1.00000
     33     -14.2511      1.00000
     34     -14.2411      1.00000
     35     -14.2361      1.00000
     36     -14.2229      1.00000
     37     -14.2200      1.00000
     38     -11.9060      1.00000
     39     -11.8791      1.00000
     40     -11.8679      1.00000
     41     -11.8658      1.00000
     42     -11.8451      1.00000
     43     -11.8449      1.00000
     44     -11.7716      1.00000
     45     -11.7689      1.00000
     46     -11.7362      1.00000
     47     -11.7295      1.00000
     48     -11.7253      1.00000
     49     -11.7228      1.00000
     50     -10.6766      1.00000
     51     -10.3890      1.00000
     52     -10.3840      1.00000
     53     -10.3771      1.00000
     54     -10.3692      1.00000
     55     -10.3560      1.00000
     56     -10.3539      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4060      1.00000
     60      -9.3630      1.00000
     61      -9.3624      1.00000
     62      -9.3545      1.00000
     63      -9.1426      1.00000
     64      -9.1220      1.00000
     65      -9.1213      1.00000
     66      -9.0849      1.00000
     67      -9.0720      1.00000
     68      -9.0713      1.00000
     69      -9.0712      1.00000
     70      -9.0642      1.00000
     71      -9.0642      1.00000
     72      -9.0385      1.00000
     73      -9.0289      1.00000
     74      -9.0258      1.00000
     75      -8.1301      1.00000
     76      -7.7457      1.00000
     77      -7.4688      1.00000
     78      -7.4666      1.00000
     79      -7.4538      1.00000
     80      -7.4342      1.00000
     81      -7.4247      1.00000
     82      -7.4066      1.00000
     83      -7.3130      1.00000
     84      -7.2712      1.00000
     85      -7.2576      1.00000
     86      -7.2491      1.00000
     87      -7.1508      1.00000
     88      -7.0494      1.00000
     89      -6.4463      1.00000
     90      -6.4161      1.00000
     91      -6.4005      1.00000
     92      -6.3638      1.00000
     93      -6.3531      1.00000
     94      -6.3408      1.00000
     95      -5.9585      1.00000
     96      -5.9582      1.00000
     97      -4.8064      1.00000
     98      -4.5444      1.00000
     99      -4.4814      1.00000
    100      -4.4744      1.00000
    101      -4.3823      1.00000
    102      -4.3817      1.00000
    103      -4.2678      1.00000
    104      -4.1872      1.00000
    105      -3.7393      1.00000
    106      -3.4776      1.00000
    107      -1.8619      0.00000
    108      -1.6706      0.00000
    109      -1.6241      0.00000
    110      -1.5913      0.00000
    111      -1.5758      0.00000
    112      -1.5749      0.00000
    113      -0.4288      0.00000
    114       0.1458      0.00000
    115       0.1921      0.00000
    116       0.2557      0.00000
    117       0.2675      0.00000
    118       0.2714      0.00000
    119       0.4771      0.00000
    120       0.5479      0.00000
    121       1.2478      0.00000
    122       1.2900      0.00000
    123       1.5365      0.00000
    124       1.7713      0.00000
    125       1.7741      0.00000
    126       1.7746      0.00000
    127       1.7962      0.00000
    128       1.8298      0.00000
    129       1.9587      0.00000
    130       1.9690      0.00000
    131       1.9746      0.00000
    132       1.9893      0.00000
    133       1.9965      0.00000
    134       2.0788      0.00000
    135       2.2504      0.00000
    136       2.3447      0.00000
    137       2.6102      0.00000
    138       2.6117      0.00000
    139       2.6388      0.00000
    140       2.7095      0.00000
    141       2.9356      0.00000
    142       3.0434      0.00000
    143       3.0594      0.00000
    144       3.0935      0.00000
    145       3.0956      0.00000
    146       3.1015      0.00000
    147       3.1032      0.00000
    148       3.2765      0.00000
    149       3.4488      0.00000
    150       3.5074      0.00000
    151       3.8225      0.00000
    152       3.9560      0.00000
    153       3.9577      0.00000
    154       3.9595      0.00000
    155       3.9654      0.00000
    156       3.9976      0.00000
    157       4.1864      0.00000
    158       4.2623      0.00000
    159       4.2741      0.00000
    160       4.2837      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8318      1.00000
      3     -21.6394      1.00000
      4     -21.6116      1.00000
      5     -21.2758      1.00000
      6     -21.2364      1.00000
      7     -21.0580      1.00000
      8     -20.1687      1.00000
      9     -20.1305      1.00000
     10     -19.6096      1.00000
     11     -19.5985      1.00000
     12     -19.4181      1.00000
     13     -19.0906      1.00000
     14     -19.0609      1.00000
     15     -19.0498      1.00000
     16     -19.0424      1.00000
     17     -18.3615      1.00000
     18     -18.3531      1.00000
     19     -18.0198      1.00000
     20     -17.0698      1.00000
     21     -17.0310      1.00000
     22     -16.9445      1.00000
     23     -16.9406      1.00000
     24     -16.4685      1.00000
     25     -16.4638      1.00000
     26     -15.6149      1.00000
     27     -15.6081      1.00000
     28     -15.2533      1.00000
     29     -15.2442      1.00000
     30     -15.1854      1.00000
     31     -15.0985      1.00000
     32     -15.0717      1.00000
     33     -14.6992      1.00000
     34     -14.6972      1.00000
     35     -13.7270      1.00000
     36     -13.7245      1.00000
     37     -13.2362      1.00000
     38     -12.6146      1.00000
     39     -12.5843      1.00000
     40     -12.4548      1.00000
     41     -12.4512      1.00000
     42     -12.1096      1.00000
     43     -12.1050      1.00000
     44     -11.7179      1.00000
     45     -11.6870      1.00000
     46     -11.2355      1.00000
     47     -11.2262      1.00000
     48     -11.0181      1.00000
     49     -11.0102      1.00000
     50     -10.9272      1.00000
     51     -10.9057      1.00000
     52     -10.6316      1.00000
     53     -10.1553      1.00000
     54     -10.1513      1.00000
     55     -10.0921      1.00000
     56      -9.9990      1.00000
     57      -9.7033      1.00000
     58      -9.6953      1.00000
     59      -9.6565      1.00000
     60      -9.5922      1.00000
     61      -9.5771      1.00000
     62      -9.5591      1.00000
     63      -9.3074      1.00000
     64      -9.3036      1.00000
     65      -9.2746      1.00000
     66      -9.2370      1.00000
     67      -9.1372      1.00000
     68      -9.1153      1.00000
     69      -9.1116      1.00000
     70      -8.9402      1.00000
     71      -8.8725      1.00000
     72      -8.6046      1.00000
     73      -8.5910      1.00000
     74      -8.2367      1.00000
     75      -8.1006      1.00000
     76      -7.9135      1.00000
     77      -7.8640      1.00000
     78      -7.7718      1.00000
     79      -7.7570      1.00000
     80      -7.6923      1.00000
     81      -7.5607      1.00000
     82      -7.3390      1.00000
     83      -7.3229      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0125      1.00000
     88      -6.7047      1.00000
     89      -6.6783      1.00000
     90      -6.6413      1.00000
     91      -6.5979      1.00000
     92      -6.1159      1.00000
     93      -6.0624      1.00000
     94      -6.0313      1.00000
     95      -6.0116      1.00000
     96      -5.7834      1.00000
     97      -4.9745      1.00000
     98      -4.8322      1.00000
     99      -4.7471      1.00000
    100      -4.6795      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1719      1.00000
    104      -4.1280      1.00000
    105      -3.7296      1.00000
    106      -3.4878      1.00000
    107      -1.8703      0.00000
    108      -1.8089      0.00000
    109      -1.5244      0.00000
    110      -1.3775      0.00000
    111      -1.3214      0.00000
    112      -1.2880      0.00000
    113      -0.7199      0.00000
    114      -0.3760      0.00000
    115      -0.2499      0.00000
    116       0.0369      0.00000
    117       0.5558      0.00000
    118       0.6985      0.00000
    119       0.7464      0.00000
    120       1.0480      0.00000
    121       1.1000      0.00000
    122       1.1498      0.00000
    123       1.2274      0.00000
    124       1.3777      0.00000
    125       1.5236      0.00000
    126       1.5830      0.00000
    127       1.7151      0.00000
    128       1.8122      0.00000
    129       1.8575      0.00000
    130       1.8817      0.00000
    131       2.0959      0.00000
    132       2.1870      0.00000
    133       2.2411      0.00000
    134       2.3061      0.00000
    135       2.5132      0.00000
    136       2.5891      0.00000
    137       2.6368      0.00000
    138       2.7787      0.00000
    139       2.7948      0.00000
    140       2.8261      0.00000
    141       2.8565      0.00000
    142       2.8998      0.00000
    143       2.9410      0.00000
    144       3.0809      0.00000
    145       3.1536      0.00000
    146       3.3166      0.00000
    147       3.3803      0.00000
    148       3.4269      0.00000
    149       3.4662      0.00000
    150       3.6160      0.00000
    151       3.6455      0.00000
    152       3.6655      0.00000
    153       3.7119      0.00000
    154       3.9100      0.00000
    155       3.9594      0.00000
    156       4.0163      0.00000
    157       4.0666      0.00000
    158       4.2366      0.00000
    159       4.2505      0.00000
    160       4.2752      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2849      1.00000
      2     -22.0793      1.00000
      3     -21.7179      1.00000
      4     -21.6861      1.00000
      5     -20.9806      1.00000
      6     -20.9400      1.00000
      7     -20.6130      1.00000
      8     -20.5763      1.00000
      9     -20.5700      1.00000
     10     -20.0337      1.00000
     11     -19.5044      1.00000
     12     -19.4926      1.00000
     13     -19.3078      1.00000
     14     -19.3026      1.00000
     15     -18.4485      1.00000
     16     -18.4118      1.00000
     17     -17.9231      1.00000
     18     -17.9137      1.00000
     19     -17.7623      1.00000
     20     -17.7266      1.00000
     21     -17.4366      1.00000
     22     -17.4292      1.00000
     23     -17.3415      1.00000
     24     -16.4635      1.00000
     25     -16.4623      1.00000
     26     -15.9678      1.00000
     27     -15.4151      1.00000
     28     -15.4096      1.00000
     29     -15.0973      1.00000
     30     -15.0939      1.00000
     31     -14.8555      1.00000
     32     -14.8478      1.00000
     33     -14.2908      1.00000
     34     -14.2580      1.00000
     35     -13.4371      1.00000
     36     -13.4045      1.00000
     37     -13.1779      1.00000
     38     -13.1746      1.00000
     39     -12.9826      1.00000
     40     -12.9777      1.00000
     41     -12.6134      1.00000
     42     -12.6103      1.00000
     43     -12.1981      1.00000
     44     -11.5771      1.00000
     45     -11.5434      1.00000
     46     -11.3112      1.00000
     47     -11.2884      1.00000
     48     -11.1423      1.00000
     49     -10.6767      1.00000
     50     -10.6607      1.00000
     51     -10.5537      1.00000
     52     -10.3237      1.00000
     53     -10.3181      1.00000
     54     -10.1699      1.00000
     55     -10.1156      1.00000
     56     -10.1130      1.00000
     57      -9.7987      1.00000
     58      -9.7651      1.00000
     59      -9.7524      1.00000
     60      -9.7004      1.00000
     61      -9.6972      1.00000
     62      -9.6627      1.00000
     63      -9.3546      1.00000
     64      -9.3518      1.00000
     65      -9.3158      1.00000
     66      -9.0415      1.00000
     67      -8.9623      1.00000
     68      -8.9499      1.00000
     69      -8.8000      1.00000
     70      -8.5952      1.00000
     71      -8.5581      1.00000
     72      -8.3988      1.00000
     73      -8.3653      1.00000
     74      -8.3247      1.00000
     75      -8.3072      1.00000
     76      -8.2590      1.00000
     77      -8.2574      1.00000
     78      -8.2365      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3866      1.00000
     83      -7.3495      1.00000
     84      -7.2309      1.00000
     85      -7.0967      1.00000
     86      -7.0391      1.00000
     87      -6.9342      1.00000
     88      -6.8483      1.00000
     89      -6.6127      1.00000
     90      -6.5588      1.00000
     91      -6.2698      1.00000
     92      -6.0440      1.00000
     93      -5.9518      1.00000
     94      -5.6629      1.00000
     95      -5.6228      1.00000
     96      -5.4633      1.00000
     97      -5.3201      1.00000
     98      -5.2789      1.00000
     99      -5.2140      1.00000
    100      -5.1939      1.00000
    101      -4.5084      1.00000
    102      -4.2077      1.00000
    103      -4.0593      1.00000
    104      -3.9892      1.00000
    105      -3.6943      1.00000
    106      -3.4980      1.00000
    107      -1.9462      0.00000
    108      -1.8963      0.00000
    109      -1.3390      0.00000
    110      -1.0848      0.00000
    111      -1.0582      0.00000
    112      -0.8003      0.00000
    113      -0.6776      0.00000
    114      -0.6468      0.00000
    115      -0.6072      0.00000
    116      -0.1080      0.00000
    117       0.2155      0.00000
    118       0.3291      0.00000
    119       0.6942      0.00000
    120       0.8876      0.00000
    121       1.1273      0.00000
    122       1.1992      0.00000
    123       1.3264      0.00000
    124       1.4209      0.00000
    125       1.5543      0.00000
    126       1.5763      0.00000
    127       1.6797      0.00000
    128       1.8076      0.00000
    129       1.8819      0.00000
    130       2.0551      0.00000
    131       2.1212      0.00000
    132       2.3248      0.00000
    133       2.3581      0.00000
    134       2.3959      0.00000
    135       2.5461      0.00000
    136       2.6303      0.00000
    137       2.7294      0.00000
    138       2.7543      0.00000
    139       2.8232      0.00000
    140       2.8805      0.00000
    141       3.0469      0.00000
    142       3.0564      0.00000
    143       3.1630      0.00000
    144       3.2637      0.00000
    145       3.3609      0.00000
    146       3.4152      0.00000
    147       3.4325      0.00000
    148       3.5655      0.00000
    149       3.5828      0.00000
    150       3.5993      0.00000
    151       3.6596      0.00000
    152       3.6746      0.00000
    153       3.7795      0.00000
    154       3.7997      0.00000
    155       3.8043      0.00000
    156       3.8924      0.00000
    157       3.9217      0.00000
    158       3.9931      0.00000
    159       4.2141      0.00000
    160       4.2248      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.9641      1.00000
      3     -21.8950      1.00000
      4     -21.3822      1.00000
      5     -21.3529      1.00000
      6     -20.8409      1.00000
      7     -20.7756      1.00000
      8     -20.6252      1.00000
      9     -20.0787      1.00000
     10     -20.0731      1.00000
     11     -19.7178      1.00000
     12     -19.6934      1.00000
     13     -18.9975      1.00000
     14     -18.9916      1.00000
     15     -18.6416      1.00000
     16     -18.6257      1.00000
     17     -18.4630      1.00000
     18     -17.6760      1.00000
     19     -17.6256      1.00000
     20     -17.6228      1.00000
     21     -17.5809      1.00000
     22     -17.1273      1.00000
     23     -17.1058      1.00000
     24     -16.9627      1.00000
     25     -16.0023      1.00000
     26     -15.9305      1.00000
     27     -15.5865      1.00000
     28     -15.5861      1.00000
     29     -15.2876      1.00000
     30     -14.8647      1.00000
     31     -14.8375      1.00000
     32     -14.5795      1.00000
     33     -14.5376      1.00000
     34     -14.1694      1.00000
     35     -14.1558      1.00000
     36     -13.1484      1.00000
     37     -13.1012      1.00000
     38     -13.0301      1.00000
     39     -13.0200      1.00000
     40     -12.7095      1.00000
     41     -12.7053      1.00000
     42     -12.3422      1.00000
     43     -12.3110      1.00000
     44     -11.6365      1.00000
     45     -11.6229      1.00000
     46     -11.5727      1.00000
     47     -10.9501      1.00000
     48     -10.9170      1.00000
     49     -10.6329      1.00000
     50     -10.6248      1.00000
     51     -10.5479      1.00000
     52     -10.5002      1.00000
     53     -10.4999      1.00000
     54     -10.4399      1.00000
     55     -10.3607      1.00000
     56     -10.1001      1.00000
     57      -9.9042      1.00000
     58      -9.6087      1.00000
     59      -9.5565      1.00000
     60      -9.4530      1.00000
     61      -9.4126      1.00000
     62      -9.4056      1.00000
     63      -9.3775      1.00000
     64      -9.3772      1.00000
     65      -9.2880      1.00000
     66      -9.1690      1.00000
     67      -9.1435      1.00000
     68      -9.1151      1.00000
     69      -8.8651      1.00000
     70      -8.8576      1.00000
     71      -8.8157      1.00000
     72      -8.5975      1.00000
     73      -8.4805      1.00000
     74      -8.1991      1.00000
     75      -8.1636      1.00000
     76      -8.0093      1.00000
     77      -7.9640      1.00000
     78      -7.8507      1.00000
     79      -7.8406      1.00000
     80      -7.7044      1.00000
     81      -7.6970      1.00000
     82      -7.6224      1.00000
     83      -7.4490      1.00000
     84      -7.3009      1.00000
     85      -7.2532      1.00000
     86      -6.9065      1.00000
     87      -6.8928      1.00000
     88      -6.5890      1.00000
     89      -6.5515      1.00000
     90      -6.4062      1.00000
     91      -6.2537      1.00000
     92      -6.2330      1.00000
     93      -6.2055      1.00000
     94      -6.0232      1.00000
     95      -5.5502      1.00000
     96      -5.4891      1.00000
     97      -5.3505      1.00000
     98      -5.2198      1.00000
     99      -4.9795      1.00000
    100      -4.7326      1.00000
    101      -4.6781      1.00000
    102      -4.3875      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5464      1.00000
    106      -3.5100      1.00000
    107      -2.2563      0.00000
    108      -1.4566      0.00000
    109      -1.3712      0.00000
    110      -1.2418      0.00000
    111      -1.0979      0.00000
    112      -0.9450      0.00000
    113      -0.8637      0.00000
    114      -0.8032      0.00000
    115      -0.1393      0.00000
    116       0.1111      0.00000
    117       0.2407      0.00000
    118       0.3777      0.00000
    119       0.6517      0.00000
    120       0.8359      0.00000
    121       0.9366      0.00000
    122       1.0638      0.00000
    123       1.2334      0.00000
    124       1.4480      0.00000
    125       1.5507      0.00000
    126       1.7664      0.00000
    127       1.7929      0.00000
    128       1.8721      0.00000
    129       1.9696      0.00000
    130       2.0436      0.00000
    131       2.1763      0.00000
    132       2.1922      0.00000
    133       2.4106      0.00000
    134       2.4557      0.00000
    135       2.5273      0.00000
    136       2.6043      0.00000
    137       2.6374      0.00000
    138       2.6958      0.00000
    139       2.7767      0.00000
    140       2.8341      0.00000
    141       2.9494      0.00000
    142       3.0821      0.00000
    143       3.2013      0.00000
    144       3.2065      0.00000
    145       3.2546      0.00000
    146       3.3245      0.00000
    147       3.3269      0.00000
    148       3.4660      0.00000
    149       3.4998      0.00000
    150       3.6980      0.00000
    151       3.7108      0.00000
    152       3.7258      0.00000
    153       3.8578      0.00000
    154       3.9116      0.00000
    155       3.9453      0.00000
    156       3.9805      0.00000
    157       4.0121      0.00000
    158       4.0340      0.00000
    159       4.0492      0.00000
    160       4.0647      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2118      1.00000
      2     -22.1189      1.00000
      3     -21.9582      1.00000
      4     -21.4057      1.00000
      5     -21.0510      1.00000
      6     -21.0151      1.00000
      7     -20.5019      1.00000
      8     -20.4624      1.00000
      9     -20.2961      1.00000
     10     -20.2768      1.00000
     11     -19.9587      1.00000
     12     -19.8930      1.00000
     13     -18.8835      1.00000
     14     -18.8148      1.00000
     15     -18.3538      1.00000
     16     -18.3076      1.00000
     17     -18.1540      1.00000
     18     -18.1368      1.00000
     19     -17.8276      1.00000
     20     -17.7900      1.00000
     21     -17.2525      1.00000
     22     -17.2425      1.00000
     23     -17.1655      1.00000
     24     -17.1337      1.00000
     25     -16.1110      1.00000
     26     -15.8865      1.00000
     27     -15.8711      1.00000
     28     -15.8349      1.00000
     29     -15.2371      1.00000
     30     -14.5559      1.00000
     31     -14.5280      1.00000
     32     -14.2808      1.00000
     33     -13.9644      1.00000
     34     -13.9569      1.00000
     35     -13.8209      1.00000
     36     -13.8051      1.00000
     37     -13.6154      1.00000
     38     -13.5716      1.00000
     39     -13.3710      1.00000
     40     -12.6354      1.00000
     41     -12.1816      1.00000
     42     -12.1336      1.00000
     43     -12.0730      1.00000
     44     -12.0207      1.00000
     45     -11.6701      1.00000
     46     -11.6566      1.00000
     47     -11.1395      1.00000
     48     -11.1189      1.00000
     49     -10.7954      1.00000
     50     -10.7318      1.00000
     51     -10.5294      1.00000
     52     -10.2091      1.00000
     53     -10.2064      1.00000
     54     -10.1654      1.00000
     55     -10.0184      1.00000
     56     -10.0049      1.00000
     57      -9.9913      1.00000
     58      -9.8018      1.00000
     59      -9.7980      1.00000
     60      -9.7627      1.00000
     61      -9.7579      1.00000
     62      -9.4552      1.00000
     63      -9.4180      1.00000
     64      -9.0810      1.00000
     65      -9.0729      1.00000
     66      -9.0412      1.00000
     67      -8.9558      1.00000
     68      -8.8778      1.00000
     69      -8.7126      1.00000
     70      -8.7003      1.00000
     71      -8.5664      1.00000
     72      -8.5435      1.00000
     73      -8.4998      1.00000
     74      -8.4630      1.00000
     75      -8.4538      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0438      1.00000
     79      -7.9160      1.00000
     80      -7.8635      1.00000
     81      -7.6151      1.00000
     82      -7.5489      1.00000
     83      -7.4902      1.00000
     84      -7.2680      1.00000
     85      -6.9954      1.00000
     86      -6.9233      1.00000
     87      -6.8822      1.00000
     88      -6.5327      1.00000
     89      -6.4874      1.00000
     90      -6.4615      1.00000
     91      -6.4104      1.00000
     92      -5.9841      1.00000
     93      -5.8976      1.00000
     94      -5.7847      1.00000
     95      -5.7598      1.00000
     96      -5.4322      1.00000
     97      -5.3294      1.00000
     98      -5.2303      1.00000
     99      -5.2178      1.00000
    100      -5.1885      1.00000
    101      -4.6922      1.00000
    102      -4.4215      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5291      1.00000
    106      -3.2742      1.00000
    107      -2.5312      0.00000
    108      -1.4581      0.00000
    109      -1.2666      0.00000
    110      -1.2029      0.00000
    111      -1.1725      0.00000
    112      -0.7196      0.00000
    113      -0.5034      0.00000
    114      -0.4119      0.00000
    115      -0.3395      0.00000
    116      -0.1459      0.00000
    117      -0.0028      0.00000
    118       0.1939      0.00000
    119       0.5613      0.00000
    120       0.6126      0.00000
    121       0.7963      0.00000
    122       0.9069      0.00000
    123       1.1325      0.00000
    124       1.4936      0.00000
    125       1.6347      0.00000
    126       1.8532      0.00000
    127       1.9269      0.00000
    128       2.1056      0.00000
    129       2.1159      0.00000
    130       2.1477      0.00000
    131       2.1860      0.00000
    132       2.2799      0.00000
    133       2.3370      0.00000
    134       2.4674      0.00000
    135       2.5800      0.00000
    136       2.6574      0.00000
    137       2.8546      0.00000
    138       2.8716      0.00000
    139       2.8936      0.00000
    140       3.0151      0.00000
    141       3.0240      0.00000
    142       3.1404      0.00000
    143       3.1788      0.00000
    144       3.2322      0.00000
    145       3.2733      0.00000
    146       3.2845      0.00000
    147       3.3005      0.00000
    148       3.3467      0.00000
    149       3.4232      0.00000
    150       3.4440      0.00000
    151       3.5521      0.00000
    152       3.6221      0.00000
    153       3.7043      0.00000
    154       3.7284      0.00000
    155       3.7729      0.00000
    156       3.8947      0.00000
    157       3.9395      0.00000
    158       4.0048      0.00000
    159       4.1317      0.00000
    160       4.2233      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3187      1.00000
      2     -21.9657      1.00000
      3     -21.8935      1.00000
      4     -21.3859      1.00000
      5     -21.3494      1.00000
      6     -20.8407      1.00000
      7     -20.7743      1.00000
      8     -20.6262      1.00000
      9     -20.0907      1.00000
     10     -20.0619      1.00000
     11     -19.7195      1.00000
     12     -19.6907      1.00000
     13     -19.0108      1.00000
     14     -18.9797      1.00000
     15     -18.6507      1.00000
     16     -18.6179      1.00000
     17     -18.4616      1.00000
     18     -17.6613      1.00000
     19     -17.6476      1.00000
     20     -17.6114      1.00000
     21     -17.5788      1.00000
     22     -17.1380      1.00000
     23     -17.0981      1.00000
     24     -16.9664      1.00000
     25     -16.0087      1.00000
     26     -15.9239      1.00000
     27     -15.5998      1.00000
     28     -15.5762      1.00000
     29     -15.2803      1.00000
     30     -14.8774      1.00000
     31     -14.8304      1.00000
     32     -14.5753      1.00000
     33     -14.5375      1.00000
     34     -14.1644      1.00000
     35     -14.1603      1.00000
     36     -13.1627      1.00000
     37     -13.0968      1.00000
     38     -13.0238      1.00000
     39     -13.0189      1.00000
     40     -12.7185      1.00000
     41     -12.6952      1.00000
     42     -12.3414      1.00000
     43     -12.3142      1.00000
     44     -11.6318      1.00000
     45     -11.6226      1.00000
     46     -11.5707      1.00000
     47     -10.9412      1.00000
     48     -10.9234      1.00000
     49     -10.6695      1.00000
     50     -10.5901      1.00000
     51     -10.5736      1.00000
     52     -10.5011      1.00000
     53     -10.4897      1.00000
     54     -10.4394      1.00000
     55     -10.3568      1.00000
     56     -10.1044      1.00000
     57      -9.8984      1.00000
     58      -9.6092      1.00000
     59      -9.5520      1.00000
     60      -9.4548      1.00000
     61      -9.4181      1.00000
     62      -9.4099      1.00000
     63      -9.3799      1.00000
     64      -9.3727      1.00000
     65      -9.2681      1.00000
     66      -9.1652      1.00000
     67      -9.1413      1.00000
     68      -9.1159      1.00000
     69      -8.8663      1.00000
     70      -8.8602      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1932      1.00000
     75      -8.1706      1.00000
     76      -8.0761      1.00000
     77      -7.8580      1.00000
     78      -7.8372      1.00000
     79      -7.8242      1.00000
     80      -7.7106      1.00000
     81      -7.6962      1.00000
     82      -7.5977      1.00000
     83      -7.5301      1.00000
     84      -7.3507      1.00000
     85      -7.1679      1.00000
     86      -6.9052      1.00000
     87      -6.8959      1.00000
     88      -6.5928      1.00000
     89      -6.5516      1.00000
     90      -6.4062      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2009      1.00000
     94      -6.0042      1.00000
     95      -5.5320      1.00000
     96      -5.4654      1.00000
     97      -5.3142      1.00000
     98      -5.2096      1.00000
     99      -5.0470      1.00000
    100      -4.7236      1.00000
    101      -4.6716      1.00000
    102      -4.4239      1.00000
    103      -4.1947      1.00000
    104      -3.8428      1.00000
    105      -3.6345      1.00000
    106      -3.4163      1.00000
    107      -2.2925      0.00000
    108      -1.5093      0.00000
    109      -1.2700      0.00000
    110      -1.2623      0.00000
    111      -1.0343      0.00000
    112      -0.9778      0.00000
    113      -0.8681      0.00000
    114      -0.7998      0.00000
    115      -0.2616      0.00000
    116       0.2044      0.00000
    117       0.2396      0.00000
    118       0.3600      0.00000
    119       0.6909      0.00000
    120       0.8942      0.00000
    121       0.9239      0.00000
    122       1.0405      0.00000
    123       1.1670      0.00000
    124       1.5097      0.00000
    125       1.5596      0.00000
    126       1.7104      0.00000
    127       1.7787      0.00000
    128       1.8330      0.00000
    129       1.9619      0.00000
    130       1.9848      0.00000
    131       2.1826      0.00000
    132       2.2620      0.00000
    133       2.4155      0.00000
    134       2.4623      0.00000
    135       2.5248      0.00000
    136       2.6007      0.00000
    137       2.6188      0.00000
    138       2.6992      0.00000
    139       2.7564      0.00000
    140       2.8629      0.00000
    141       3.0361      0.00000
    142       3.0803      0.00000
    143       3.1882      0.00000
    144       3.2430      0.00000
    145       3.2561      0.00000
    146       3.2963      0.00000
    147       3.3535      0.00000
    148       3.4512      0.00000
    149       3.5204      0.00000
    150       3.6919      0.00000
    151       3.7173      0.00000
    152       3.7471      0.00000
    153       3.8302      0.00000
    154       3.8896      0.00000
    155       3.9320      0.00000
    156       3.9787      0.00000
    157       4.0084      0.00000
    158       4.0382      0.00000
    159       4.0454      0.00000
    160       4.0828      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8320      1.00000
      3     -21.6427      1.00000
      4     -21.6076      1.00000
      5     -21.2800      1.00000
      6     -21.2330      1.00000
      7     -21.0576      1.00000
      8     -20.1726      1.00000
      9     -20.1264      1.00000
     10     -19.6179      1.00000
     11     -19.5917      1.00000
     12     -19.4167      1.00000
     13     -19.0956      1.00000
     14     -19.0569      1.00000
     15     -19.0525      1.00000
     16     -19.0397      1.00000
     17     -18.3676      1.00000
     18     -18.3478      1.00000
     19     -18.0175      1.00000
     20     -17.0731      1.00000
     21     -17.0243      1.00000
     22     -16.9503      1.00000
     23     -16.9364      1.00000
     24     -16.4753      1.00000
     25     -16.4634      1.00000
     26     -15.6101      1.00000
     27     -15.6096      1.00000
     28     -15.2505      1.00000
     29     -15.2384      1.00000
     30     -15.1923      1.00000
     31     -15.1022      1.00000
     32     -15.0692      1.00000
     33     -14.6988      1.00000
     34     -14.6978      1.00000
     35     -13.7254      1.00000
     36     -13.7253      1.00000
     37     -13.2359      1.00000
     38     -12.6247      1.00000
     39     -12.5805      1.00000
     40     -12.4555      1.00000
     41     -12.4501      1.00000
     42     -12.1053      1.00000
     43     -12.1003      1.00000
     44     -11.7219      1.00000
     45     -11.6833      1.00000
     46     -11.2456      1.00000
     47     -11.2249      1.00000
     48     -11.0182      1.00000
     49     -11.0065      1.00000
     50     -10.9280      1.00000
     51     -10.8994      1.00000
     52     -10.6376      1.00000
     53     -10.1729      1.00000
     54     -10.1499      1.00000
     55     -10.0852      1.00000
     56      -9.9926      1.00000
     57      -9.6966      1.00000
     58      -9.6901      1.00000
     59      -9.6710      1.00000
     60      -9.5915      1.00000
     61      -9.5674      1.00000
     62      -9.5543      1.00000
     63      -9.3132      1.00000
     64      -9.3005      1.00000
     65      -9.2837      1.00000
     66      -9.2430      1.00000
     67      -9.1227      1.00000
     68      -9.1129      1.00000
     69      -9.1113      1.00000
     70      -8.9401      1.00000
     71      -8.8752      1.00000
     72      -8.6049      1.00000
     73      -8.5862      1.00000
     74      -8.2712      1.00000
     75      -8.1016      1.00000
     76      -7.8675      1.00000
     77      -7.8440      1.00000
     78      -7.7907      1.00000
     79      -7.7650      1.00000
     80      -7.7560      1.00000
     81      -7.4473      1.00000
     82      -7.3350      1.00000
     83      -7.3234      1.00000
     84      -7.2664      1.00000
     85      -7.1628      1.00000
     86      -7.0148      1.00000
     87      -6.9867      1.00000
     88      -6.7179      1.00000
     89      -6.6908      1.00000
     90      -6.6319      1.00000
     91      -6.5907      1.00000
     92      -6.1179      1.00000
     93      -6.0590      1.00000
     94      -6.0448      1.00000
     95      -6.0286      1.00000
     96      -5.7481      1.00000
     97      -4.9748      1.00000
     98      -4.8397      1.00000
     99      -4.7091      1.00000
    100      -4.6735      1.00000
    101      -4.4836      1.00000
    102      -4.3522      1.00000
    103      -4.1119      1.00000
    104      -4.0556      1.00000
    105      -3.7550      1.00000
    106      -3.4654      1.00000
    107      -1.9506      0.00000
    108      -1.7711      0.00000
    109      -1.4798      0.00000
    110      -1.3555      0.00000
    111      -1.3359      0.00000
    112      -1.2926      0.00000
    113      -0.6785      0.00000
    114      -0.4719      0.00000
    115      -0.2354      0.00000
    116       0.0516      0.00000
    117       0.5875      0.00000
    118       0.6924      0.00000
    119       0.7701      0.00000
    120       1.0228      0.00000
    121       1.0970      0.00000
    122       1.1767      0.00000
    123       1.2501      0.00000
    124       1.3347      0.00000
    125       1.4335      0.00000
    126       1.5991      0.00000
    127       1.7614      0.00000
    128       1.8428      0.00000
    129       1.8597      0.00000
    130       1.8876      0.00000
    131       2.0444      0.00000
    132       2.2172      0.00000
    133       2.2326      0.00000
    134       2.2857      0.00000
    135       2.4794      0.00000
    136       2.6168      0.00000
    137       2.6398      0.00000
    138       2.7528      0.00000
    139       2.7923      0.00000
    140       2.8363      0.00000
    141       2.8475      0.00000
    142       2.8678      0.00000
    143       2.9443      0.00000
    144       3.0853      0.00000
    145       3.3134      0.00000
    146       3.3541      0.00000
    147       3.4042      0.00000
    148       3.4166      0.00000
    149       3.4217      0.00000
    150       3.5995      0.00000
    151       3.6470      0.00000
    152       3.6749      0.00000
    153       3.7299      0.00000
    154       3.8950      0.00000
    155       3.9239      0.00000
    156       3.9544      0.00000
    157       4.1061      0.00000
    158       4.2047      0.00000
    159       4.2540      0.00000
    160       4.2825      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2109      1.00000
      2     -22.1202      1.00000
      3     -21.9578      1.00000
      4     -21.4058      1.00000
      5     -21.0472      1.00000
      6     -21.0189      1.00000
      7     -20.4970      1.00000
      8     -20.4672      1.00000
      9     -20.2873      1.00000
     10     -20.2853      1.00000
     11     -19.9576      1.00000
     12     -19.8945      1.00000
     13     -18.8842      1.00000
     14     -18.8166      1.00000
     15     -18.3385      1.00000
     16     -18.3195      1.00000
     17     -18.1498      1.00000
     18     -18.1424      1.00000
     19     -17.8165      1.00000
     20     -17.7985      1.00000
     21     -17.2587      1.00000
     22     -17.2391      1.00000
     23     -17.1608      1.00000
     24     -17.1360      1.00000
     25     -16.1174      1.00000
     26     -15.8812      1.00000
     27     -15.8701      1.00000
     28     -15.8409      1.00000
     29     -15.2314      1.00000
     30     -14.5513      1.00000
     31     -14.5329      1.00000
     32     -14.2760      1.00000
     33     -13.9755      1.00000
     34     -13.9519      1.00000
     35     -13.8253      1.00000
     36     -13.8030      1.00000
     37     -13.6044      1.00000
     38     -13.5792      1.00000
     39     -13.3712      1.00000
     40     -12.6396      1.00000
     41     -12.1691      1.00000
     42     -12.1428      1.00000
     43     -12.0685      1.00000
     44     -12.0217      1.00000
     45     -11.6654      1.00000
     46     -11.6608      1.00000
     47     -11.1368      1.00000
     48     -11.1258      1.00000
     49     -10.7905      1.00000
     50     -10.7344      1.00000
     51     -10.5361      1.00000
     52     -10.2089      1.00000
     53     -10.2028      1.00000
     54     -10.1711      1.00000
     55     -10.0233      1.00000
     56      -9.9948      1.00000
     57      -9.9907      1.00000
     58      -9.8055      1.00000
     59      -9.7965      1.00000
     60      -9.7648      1.00000
     61      -9.7569      1.00000
     62      -9.4544      1.00000
     63      -9.4179      1.00000
     64      -9.0852      1.00000
     65      -9.0463      1.00000
     66      -9.0260      1.00000
     67      -8.9698      1.00000
     68      -8.8982      1.00000
     69      -8.7086      1.00000
     70      -8.6993      1.00000
     71      -8.5600      1.00000
     72      -8.5492      1.00000
     73      -8.4782      1.00000
     74      -8.4598      1.00000
     75      -8.4571      1.00000
     76      -8.3087      1.00000
     77      -8.0954      1.00000
     78      -8.0896      1.00000
     79      -7.9269      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5369      1.00000
     83      -7.4437      1.00000
     84      -7.3142      1.00000
     85      -6.9941      1.00000
     86      -6.9194      1.00000
     87      -6.8824      1.00000
     88      -6.5277      1.00000
     89      -6.5149      1.00000
     90      -6.4808      1.00000
     91      -6.4207      1.00000
     92      -5.9273      1.00000
     93      -5.9054      1.00000
     94      -5.7889      1.00000
     95      -5.7751      1.00000
     96      -5.3695      1.00000
     97      -5.3632      1.00000
     98      -5.2204      1.00000
     99      -5.2155      1.00000
    100      -5.1989      1.00000
    101      -4.7204      1.00000
    102      -4.4423      1.00000
    103      -4.1909      1.00000
    104      -3.8204      1.00000
    105      -3.5655      1.00000
    106      -3.2215      1.00000
    107      -2.5626      0.00000
    108      -1.4632      0.00000
    109      -1.2673      0.00000
    110      -1.1852      0.00000
    111      -1.1837      0.00000
    112      -0.6447      0.00000
    113      -0.5514      0.00000
    114      -0.4147      0.00000
    115      -0.3474      0.00000
    116      -0.0776      0.00000
    117      -0.0633      0.00000
    118       0.1260      0.00000
    119       0.5931      0.00000
    120       0.6265      0.00000
    121       0.8552      0.00000
    122       0.9857      0.00000
    123       1.0034      0.00000
    124       1.4941      0.00000
    125       1.6837      0.00000
    126       1.7656      0.00000
    127       1.8607      0.00000
    128       2.1133      0.00000
    129       2.1418      0.00000
    130       2.1884      0.00000
    131       2.2103      0.00000
    132       2.2559      0.00000
    133       2.3518      0.00000
    134       2.4942      0.00000
    135       2.5093      0.00000
    136       2.6648      0.00000
    137       2.8526      0.00000
    138       2.8594      0.00000
    139       2.9535      0.00000
    140       3.0025      0.00000
    141       3.0384      0.00000
    142       3.1355      0.00000
    143       3.1912      0.00000
    144       3.2453      0.00000
    145       3.2498      0.00000
    146       3.2799      0.00000
    147       3.3032      0.00000
    148       3.3545      0.00000
    149       3.4186      0.00000
    150       3.5492      0.00000
    151       3.5652      0.00000
    152       3.6470      0.00000
    153       3.6619      0.00000
    154       3.7003      0.00000
    155       3.7260      0.00000
    156       3.8971      0.00000
    157       3.9594      0.00000
    158       4.0365      0.00000
    159       4.0765      0.00000
    160       4.1847      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2845      1.00000
      2     -22.0799      1.00000
      3     -21.7215      1.00000
      4     -21.6822      1.00000
      5     -20.9839      1.00000
      6     -20.9362      1.00000
      7     -20.6125      1.00000
      8     -20.5803      1.00000
      9     -20.5667      1.00000
     10     -20.0333      1.00000
     11     -19.5143      1.00000
     12     -19.4842      1.00000
     13     -19.3123      1.00000
     14     -19.2992      1.00000
     15     -18.4505      1.00000
     16     -18.4074      1.00000
     17     -17.9283      1.00000
     18     -17.9079      1.00000
     19     -17.7667      1.00000
     20     -17.7218      1.00000
     21     -17.4423      1.00000
     22     -17.4238      1.00000
     23     -17.3389      1.00000
     24     -16.4714      1.00000
     25     -16.4612      1.00000
     26     -15.9714      1.00000
     27     -15.4115      1.00000
     28     -15.4105      1.00000
     29     -15.0964      1.00000
     30     -15.0934      1.00000
     31     -14.8535      1.00000
     32     -14.8412      1.00000
     33     -14.2984      1.00000
     34     -14.2547      1.00000
     35     -13.4448      1.00000
     36     -13.4009      1.00000
     37     -13.1755      1.00000
     38     -13.1741      1.00000
     39     -12.9864      1.00000
     40     -12.9775      1.00000
     41     -12.6110      1.00000
     42     -12.6089      1.00000
     43     -12.1973      1.00000
     44     -11.5798      1.00000
     45     -11.5387      1.00000
     46     -11.3137      1.00000
     47     -11.2834      1.00000
     48     -11.1425      1.00000
     49     -10.6926      1.00000
     50     -10.6632      1.00000
     51     -10.5475      1.00000
     52     -10.3228      1.00000
     53     -10.3151      1.00000
     54     -10.1762      1.00000
     55     -10.1214      1.00000
     56     -10.1082      1.00000
     57      -9.8119      1.00000
     58      -9.7529      1.00000
     59      -9.7525      1.00000
     60      -9.7026      1.00000
     61      -9.6987      1.00000
     62      -9.6473      1.00000
     63      -9.3530      1.00000
     64      -9.3516      1.00000
     65      -9.3180      1.00000
     66      -9.0282      1.00000
     67      -8.9618      1.00000
     68      -8.9581      1.00000
     69      -8.7758      1.00000
     70      -8.5917      1.00000
     71      -8.5886      1.00000
     72      -8.4241      1.00000
     73      -8.3499      1.00000
     74      -8.3225      1.00000
     75      -8.3024      1.00000
     76      -8.2658      1.00000
     77      -8.2542      1.00000
     78      -8.2394      1.00000
     79      -7.9217      1.00000
     80      -7.7341      1.00000
     81      -7.3799      1.00000
     82      -7.3503      1.00000
     83      -7.3236      1.00000
     84      -7.2175      1.00000
     85      -7.1605      1.00000
     86      -7.0654      1.00000
     87      -6.9610      1.00000
     88      -6.9054      1.00000
     89      -6.6133      1.00000
     90      -6.5568      1.00000
     91      -6.2709      1.00000
     92      -5.9968      1.00000
     93      -5.9596      1.00000
     94      -5.6753      1.00000
     95      -5.6488      1.00000
     96      -5.3875      1.00000
     97      -5.3152      1.00000
     98      -5.2941      1.00000
     99      -5.2121      1.00000
    100      -5.2005      1.00000
    101      -4.5115      1.00000
    102      -4.3388      1.00000
    103      -3.9965      1.00000
    104      -3.8859      1.00000
    105      -3.7929      1.00000
    106      -3.4433      1.00000
    107      -2.0345      0.00000
    108      -1.8634      0.00000
    109      -1.2176      0.00000
    110      -1.1842      0.00000
    111      -1.0358      0.00000
    112      -0.7722      0.00000
    113      -0.6772      0.00000
    114      -0.6599      0.00000
    115      -0.6096      0.00000
    116      -0.1017      0.00000
    117       0.2226      0.00000
    118       0.2397      0.00000
    119       0.7697      0.00000
    120       0.9839      0.00000
    121       1.0739      0.00000
    122       1.2415      0.00000
    123       1.2511      0.00000
    124       1.3409      0.00000
    125       1.5784      0.00000
    126       1.5852      0.00000
    127       1.7020      0.00000
    128       1.7968      0.00000
    129       1.9464      0.00000
    130       1.9615      0.00000
    131       2.0815      0.00000
    132       2.2918      0.00000
    133       2.3417      0.00000
    134       2.4163      0.00000
    135       2.5429      0.00000
    136       2.6282      0.00000
    137       2.7630      0.00000
    138       2.8262      0.00000
    139       2.8433      0.00000
    140       2.8654      0.00000
    141       3.0446      0.00000
    142       3.1000      0.00000
    143       3.1524      0.00000
    144       3.2201      0.00000
    145       3.3741      0.00000
    146       3.4132      0.00000
    147       3.5035      0.00000
    148       3.5485      0.00000
    149       3.5904      0.00000
    150       3.6095      0.00000
    151       3.6469      0.00000
    152       3.7352      0.00000
    153       3.7445      0.00000
    154       3.7751      0.00000
    155       3.8131      0.00000
    156       3.8755      0.00000
    157       4.0202      0.00000
    158       4.0862      0.00000
    159       4.1685      0.00000
    160       4.2108      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0417   -7.3901    4.1982   -1.2758   -0.2386   17.5938    0.1473   -0.5324    0.6338   -0.4648
x    -3.0926   -0.0374   -0.0631    0.0616   -0.0091   -2.9773   -0.0109   -0.0070    0.0049    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0417    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0940   -0.0087    0.0374    0.0377
y    -0.0458   -3.2478   -0.5380   -0.1636   -1.1810   -0.6054
z   204.0417    1.1260   -0.2804    0.0408    0.0090    0.0616    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0777    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1654
z    -0.2831    0.1873   -0.0390    0.0470   -0.1050    0.0013
 total charge-density along one line
x   212.0000  -10.2204    6.1463   -2.0858   -0.4744   19.5111   -0.9959    0.4742   -0.0449   -0.1261
x    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2204    6.1463   -2.0858   -0.4744   19.5111   -0.9959    0.4742   -0.0449   -0.1261
y    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4925  189.2923 -170.3678  153.6507 -139.4373  125.4335 -110.1198   93.9731  -78.3592
z    64.1499  -51.4976   40.4325  -31.2272   24.1310  -18.9484   15.0350  -11.7219    8.7173   -6.1226
z     4.1323   -2.7605    1.8231   -1.1123    0.5409   -0.1279   -0.1105    0.2273   -0.3090    0.4000
z    -0.4767    0.4932   -0.4398    0.3547   -0.2860    0.2512   -0.2335    0.2088   -0.1709    0.1317
z    -0.1037    0.0880   -0.0768    0.0637   -0.0490    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0074    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.030   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.585  -0.238   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.368  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.263   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.261   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.649
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.781   0.000   2.640
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.783   0.000   2.647
 28        0.864   1.785   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.785   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.646
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.860   1.781   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.649
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.870  89.435   8.029 142.333
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  114.94: CPU time   57.90
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  438.94: CPU time  219.94
    STRESS:  VPU time 1351.56: CPU time  679.94
    FORCOR:  VPU time    8.68: CPU time    8.68
    FORHAR:  VPU time    2.29: CPU time    2.29
    MIXING:  VPU time    0.17: CPU time    0.17
 d Force =-0.1702657E-07[-0.169E-07,-0.171E-07]  d Energy = 0.3105015E-07-0.481E-07
 d Force =-0.9978639E-03[-0.998E-03,-0.998E-03]  d Ewald  = 0.8862058E-02-0.986E-02


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726418 eV

  energy  without entropy=     -471.726418  energy(sigma->0) =     -471.726418
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40850.02  40804.53 -47548.85    -39.40      0.00      0.00
  Hartree  40274.04  40254.95 -39532.79    -16.53      0.00      0.00
  E(xc)     -779.46   -779.75   -807.39     -0.25      0.00      0.00
  Local   -83408.05 -83352.49  84396.38     48.12      0.00      0.00
  n-local   -216.85   -215.73   -203.41      0.70      0.00      0.00
  augment     20.05     22.04     17.81      1.73      0.00      0.00
  Kinetic   3162.58   3176.29   3584.10      3.52      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.00      0.05     -0.22      0.04      0.00      0.00
  in kB        0.00      0.03     -0.13      0.02      0.00      0.00
  external pressure =       -0.03 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345139098  0.000689731  0.000000000     0.081000930  0.046759942  0.000000000
    -6.171978866 10.691545016  0.000000000    -0.000005226  0.093528835  0.000000000
     0.000000000  0.000000000 19.986396727     0.000000000  0.000000000  0.050034031

  length of vectors
    12.345139117 12.345139042 19.986396727     0.093528834  0.093528835  0.050034031


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.477E-05 -.490E-04 -.951E+03   0.448E-05 -.278E-04 0.960E+03   0.678E-20 -.169E-20 -.869E+01   -.162E-10 0.709E-10 -.203E-03
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   0.210E-05 -.196E-05 -.135E-04
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   -.210E-05 0.196E-05 -.135E-04
   -.206E+01 0.119E+01 0.163E+02   0.206E+01 -.119E+01 -.162E+02   -.327E-02 0.189E-02 -.242E-01   0.307E-05 -.475E-05 0.863E-05
   0.616E+01 0.684E+01 0.194E+02   -.616E+01 -.686E+01 -.193E+02   0.844E-03 0.215E-01 -.272E-01   -.546E-05 0.843E-05 0.869E-05
   0.112E+02 0.510E+01 0.162E+02   -.112E+02 -.510E+01 -.161E+02   0.202E-01 0.844E-02 -.479E-01   0.125E-05 -.203E-05 0.857E-05
   0.471E+01 -.883E+00 0.126E+02   -.473E+01 0.892E+00 -.126E+02   0.146E-01 -.735E-02 -.175E-01   -.273E-05 -.336E-05 0.683E-05
   -.308E+01 -.252E+01 0.126E+02   0.308E+01 0.252E+01 -.126E+02   -.140E-02 0.273E-02 -.130E-01   0.141E-05 -.741E-05 0.788E-05
   0.645E+00 0.393E+01 0.126E+02   -.646E+00 -.393E+01 -.126E+02   -.307E-02 -.152E-03 -.130E-01   0.159E-05 -.370E-05 0.461E-05
   0.242E+01 0.189E+02 0.240E+02   -.242E+01 -.190E+02 -.240E+02   -.233E-02 0.103E+00 -.486E-01   -.498E-05 -.112E-04 0.558E-05
   0.226E+02 0.214E+02 0.423E+02   -.227E+02 -.216E+02 -.422E+02   0.771E-01 0.262E+00 -.607E-01   0.949E-05 -.405E-05 0.456E-05
   0.268E+02 -.343E+01 0.256E+02   -.271E+02 0.355E+01 -.256E+02   0.269E+00 -.109E+00 -.338E-01   -.914E-05 -.241E-05 0.696E-05
   0.914E+01 -.527E+01 0.136E+02   -.918E+01 0.530E+01 -.136E+02   0.422E-01 -.244E-01 -.121E-01   -.722E-05 -.225E-05 0.720E-05
   0.312E+01 -.364E+01 0.126E+02   -.314E+01 0.365E+01 -.126E+02   0.137E-01 -.899E-02 -.175E-01   -.701E-06 -.246E-06 -.742E-06
   -.593E+01 0.136E+02 0.161E+02   0.593E+01 -.137E+02 -.161E+02   -.113E-02 0.715E-01 -.520E-01   0.139E-05 0.348E-05 0.189E-05
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.315E-01 0.613E+00 0.294E+00   -.228E-05 0.214E-05 -.220E-05
   0.236E+02 -.136E+02 0.940E+02   -.243E+02 0.140E+02 -.961E+02   0.636E+00 -.367E+00 0.205E+01   -.107E-05 -.205E-05 0.100E-05
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.229E+00 -.178E+00 -.338E-01   -.476E-05 0.138E-05 0.259E-05
   0.119E+01 -.122E+02 0.162E+02   -.119E+01 0.123E+02 -.161E+02   0.280E-02 -.217E-01 -.479E-01   0.560E-05 -.120E-05 0.362E-05
   -.414E+01 0.192E+01 0.116E+02   0.414E+01 -.193E+01 -.116E+02   -.266E-03 0.996E-02 -.439E-01   0.551E-05 -.833E-07 0.309E-05
   -.193E+02 0.111E+02 0.217E+02   0.193E+02 -.112E+02 -.217E+02   -.506E-01 0.292E-01 -.433E-01   -.256E-07 0.378E-05 0.776E-05
   -.373E+02 -.785E+01 0.478E+02   0.378E+02 0.813E+01 -.481E+02   -.546E+00 -.279E+00 0.294E+00   0.321E-06 0.181E-06 0.609E-06
   -.718E+01 -.303E+02 0.423E+02   0.736E+01 0.305E+02 -.422E+02   -.188E+00 -.198E+00 -.607E-01   0.115E-04 -.107E-04 0.286E-05
   -.285E+01 -.876E+01 0.194E+02   0.286E+01 0.877E+01 -.193E+02   -.182E-01 -.115E-01 -.272E-01   -.819E-05 -.140E-05 0.802E-05
   0.139E+01 -.801E+00 0.134E+02   -.139E+01 0.803E+00 -.134E+02   0.124E-03 -.714E-04 -.179E-01   0.527E-05 -.909E-06 0.742E-05
   -.374E+01 0.262E+01 0.116E+02   0.374E+01 -.262E+01 -.116E+02   -.876E-02 -.475E-02 -.439E-01   0.469E-05 0.721E-07 0.738E-05
   -.148E+02 -.169E+01 0.161E+02   0.148E+02 0.172E+01 -.161E+02   -.625E-01 -.347E-01 -.520E-01   -.448E-06 -.446E-05 0.880E-05
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.905E-01 -.496E-01 -.486E-01   0.904E-05 0.459E-05 0.818E-05
   0.285E+01 0.876E+01 0.194E+02   -.286E+01 -.877E+01 -.193E+02   0.182E-01 0.115E-01 -.272E-01   0.819E-05 0.140E-05 0.802E-05
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.905E-01 0.496E-01 -.486E-01   -.904E-05 -.459E-05 0.818E-05
   0.148E+02 0.169E+01 0.161E+02   -.148E+02 -.172E+01 -.161E+02   0.625E-01 0.347E-01 -.520E-01   0.448E-06 0.446E-05 0.880E-05
   0.374E+01 -.262E+01 0.116E+02   -.374E+01 0.262E+01 -.116E+02   0.876E-02 0.475E-02 -.439E-01   -.469E-05 -.720E-07 0.738E-05
   -.139E+01 0.801E+00 0.134E+02   0.139E+01 -.803E+00 -.134E+02   -.124E-03 0.714E-04 -.179E-01   -.527E-05 0.909E-06 0.742E-05
   -.119E+01 0.122E+02 0.162E+02   0.119E+01 -.123E+02 -.161E+02   -.280E-02 0.217E-01 -.479E-01   -.560E-05 0.120E-05 0.362E-05
   0.718E+01 0.303E+02 0.423E+02   -.736E+01 -.305E+02 -.422E+02   0.188E+00 0.198E+00 -.607E-01   -.115E-04 0.107E-04 0.286E-05
   0.373E+02 0.785E+01 0.478E+02   -.378E+02 -.813E+01 -.481E+02   0.546E+00 0.279E+00 0.294E+00   -.321E-06 -.182E-06 0.609E-06
   0.193E+02 -.111E+02 0.217E+02   -.193E+02 0.112E+02 -.217E+02   0.506E-01 -.292E-01 -.433E-01   0.254E-07 -.378E-05 0.776E-05
   0.414E+01 -.192E+01 0.116E+02   -.414E+01 0.193E+01 -.116E+02   0.266E-03 -.996E-02 -.439E-01   -.551E-05 0.830E-07 0.309E-05
   -.312E+01 0.364E+01 0.126E+02   0.314E+01 -.365E+01 -.126E+02   -.137E-01 0.899E-02 -.175E-01   0.701E-06 0.246E-06 -.742E-06
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.229E+00 0.178E+00 -.338E-01   0.476E-05 -.138E-05 0.259E-05
   -.236E+02 0.136E+02 0.940E+02   0.243E+02 -.140E+02 -.961E+02   -.636E+00 0.367E+00 0.205E+01   0.107E-05 0.205E-05 0.100E-05
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.315E-01 -.613E+00 0.294E+00   0.228E-05 -.214E-05 -.220E-05
   0.593E+01 -.136E+02 0.161E+02   -.593E+01 0.137E+02 -.161E+02   0.113E-02 -.715E-01 -.520E-01   -.139E-05 -.348E-05 0.189E-05
   -.645E+00 -.393E+01 0.126E+02   0.646E+00 0.393E+01 -.126E+02   0.307E-02 0.152E-03 -.130E-01   -.159E-05 0.370E-05 0.461E-05
   -.914E+01 0.527E+01 0.136E+02   0.918E+01 -.530E+01 -.136E+02   -.422E-01 0.244E-01 -.121E-01   0.722E-05 0.225E-05 0.720E-05
   -.268E+02 0.343E+01 0.256E+02   0.271E+02 -.355E+01 -.256E+02   -.269E+00 0.109E+00 -.338E-01   0.914E-05 0.241E-05 0.696E-05
   -.226E+02 -.214E+02 0.423E+02   0.227E+02 0.216E+02 -.422E+02   -.771E-01 -.262E+00 -.607E-01   -.949E-05 0.405E-05 0.456E-05
   -.242E+01 -.189E+02 0.240E+02   0.242E+01 0.190E+02 -.240E+02   0.233E-02 -.103E+00 -.486E-01   0.498E-05 0.112E-04 0.558E-05
   0.206E+01 -.119E+01 0.163E+02   -.206E+01 0.119E+01 -.162E+02   0.327E-02 -.189E-02 -.242E-01   -.307E-05 0.475E-05 0.863E-05
   0.308E+01 0.252E+01 0.126E+02   -.308E+01 -.252E+01 -.126E+02   0.140E-02 -.273E-02 -.130E-01   -.141E-05 0.741E-05 0.788E-05
   -.471E+01 0.883E+00 0.126E+02   0.473E+01 -.892E+00 -.126E+02   -.146E-01 0.735E-02 -.175E-01   0.273E-05 0.336E-05 0.683E-05
   -.112E+02 -.510E+01 0.162E+02   0.112E+02 0.510E+01 -.161E+02   -.202E-01 -.844E-02 -.479E-01   -.125E-05 0.203E-05 0.857E-05
   -.616E+01 -.684E+01 0.194E+02   0.616E+01 0.686E+01 -.193E+02   -.844E-03 -.215E-01 -.272E-01   0.546E-05 -.843E-05 0.869E-05
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.289E-03 0.101E+02   0.799E-13 -.799E-13 -.355E-12   0.494E-16 0.694E-16 -.100E+02   0.244E-09 -.109E-09 0.299E-04
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85211      6.05884     12.26471         0.000000      0.000000      0.019315
      1.07497      6.50752     13.52421         0.001551     -0.000895      0.008856
      2.62924      5.61016     13.52421        -0.001551      0.000895      0.008856
      0.00015     -0.00009      9.91082        -0.002293      0.001324      0.000101
     -1.23474      2.13683      9.90948        -0.000403      0.001546      0.000050
     -2.46994      4.27634      9.92946        -0.002695      0.002257     -0.000367
     -3.70363      6.41501      9.93717        -0.002031      0.001458     -0.000861
     -4.93735      8.55322      9.92774        -0.004145      0.002117     -0.000486
      2.46916     -0.00006      9.92774        -0.003906      0.002531     -0.000486
      1.23392      2.13662      9.91901        -0.003396      0.001402     -0.001218
     -0.00265      4.27071      9.93152        -0.003661      0.003441     -0.002364
     -1.23832      6.41562      9.95362        -0.000255      0.001295     -0.001115
     -2.46890      8.55357      9.93905        -0.001096      0.000633      0.000608
      4.93776      0.00062      9.93717        -0.002279      0.001030     -0.000861
      3.70409      2.13669      9.94047        -0.001510     -0.000558     -0.001272
      2.46985      4.26841      9.96807        -0.003475      0.000965     -0.002338
      1.22909      6.41854      9.97430        -0.004662      0.002691      0.001546
     -0.00209      8.55684      9.95362        -0.001249     -0.000426     -0.001115
      7.40675      0.00155      9.92946        -0.003302      0.001205     -0.000367
      6.17243      2.13877      9.93579        -0.002976      0.001748     -0.000535
      4.93890      4.27668      9.94852         0.000476     -0.000275     -0.000057
      3.71153      6.41908      9.96807        -0.002573      0.002527     -0.002338
      2.47330      8.55917      9.93152        -0.004810      0.001450     -0.002364
      9.87722      0.00159      9.90948        -0.001541     -0.000424      0.000050
      8.64160      2.13893      9.92067        -0.003157      0.001823      0.000299
      7.40715      4.27737      9.93579        -0.003002      0.001703     -0.000535
      6.17478      6.41605      9.94047        -0.000272      0.001587     -0.001272
      4.93975      8.55531      9.91901        -0.002912      0.002240     -0.001218
     -0.00103      1.42455      9.90948         0.001541      0.000424      0.000050
     -1.23554      3.56237      9.91901         0.002912     -0.002240     -0.001218
     -2.47057      5.70163      9.94047         0.000272     -0.001587     -0.001272
     -3.70294      7.84032      9.93579         0.003002     -0.001703     -0.000535
     -4.93739      9.97876      9.92067         0.003157     -0.001823      0.000299
      2.46945      1.42459      9.92946         0.003302     -0.001205     -0.000367
      1.23091      3.55851      9.93152         0.004810     -0.001450     -0.002364
     -0.00732      5.69860      9.96807         0.002573     -0.002527     -0.002338
     -1.23469      7.84100      9.94852        -0.000476      0.000275     -0.000057
     -2.46822      9.97891      9.93579         0.002976     -0.001748     -0.000535
      4.93843      1.42552      9.93717         0.002279     -0.001030     -0.000861
      3.70630      3.56084      9.95362         0.001249      0.000426     -0.001115
      2.47512      5.69914      9.97430         0.004662     -0.002691      0.001546
      1.23437      7.84927      9.96807         0.003475     -0.000965     -0.002338
      0.00012      9.98099      9.94047         0.001510      0.000558     -0.001272
      7.40703      1.42619      9.92774         0.003906     -0.002531     -0.000486
      6.17311      3.56411      9.93905         0.001096     -0.000633      0.000608
      4.94253      5.70206      9.95362         0.000255     -0.001295     -0.001115
      3.70686      7.84698      9.93152         0.003661     -0.003441     -0.002364
      2.47029      9.98106      9.91901         0.003396     -0.001402     -0.001218
      9.87604      1.42622      9.91082         0.002293     -0.001324      0.000101
      8.64156      3.56447      9.92774         0.004145     -0.002117     -0.000486
      7.40784      5.70267      9.93717         0.002031     -0.001458     -0.000861
      6.17415      7.84134      9.92946         0.002695     -0.002257     -0.000367
      4.93895      9.98086      9.90948         0.000403     -0.001546      0.000050
 -----------------------------------------------------------------------------------
    total drift:                               -0.001802      0.000289      0.015654


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.95: CPU time    1.95
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.33: CPU time    1.33
    ORTHCH:  VPU time  182.26: CPU time   91.54
     LOOP+:  VPU time 4918.72: CPU time 2526.35


----------------------------------------- Iteration   33(   1)  ---------------------------------------


    POTLOK:  VPU time    9.13: CPU time    9.07
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1311.57: CPU time  679.50
 BZINTS: Fermi energy: -3.185596;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.77: CPU time   57.74
    MIXING:  VPU time    0.17: CPU time    0.17
    ------------------------------------------
      LOOP:  VPU time 1435.04: CPU time  746.84

 eigenvalue-minimisations  :  3760
 total energy-change (2. order) :-0.4717264E+03  ( 0.2669742E-08)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583412 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.56320E-05    rms(broyden)= 0.56317E-05
  rms(prec ) = 0.71289E-05
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34105.72480627
  -1/2 Hartree   DENC   =    -40996.20782534
  -V(xc)+E(xc)   XCENC  =       726.60491647
  PAW double counting   =      4094.27105106    -4132.61890211
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.94031751
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641755 eV

  energy without entropy =     -471.72641755  energy(sigma->0) =     -471.72641755


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   33(   2)  ---------------------------------------


    POTLOK:  VPU time    8.84: CPU time    8.85
    SETDIJ:  VPU time    0.29: CPU time    0.29
    EDDAV :  VPU time 1303.19: CPU time  672.47
 BZINTS: Fermi energy: -3.185568;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1312.38: CPU time  681.64

 eigenvalue-minimisations  :  3712
 total energy-change (2. order) :-0.2510023E-07  ( 0.2946075E-08)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583412 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34105.72480627
  -1/2 Hartree   DENC   =    -40996.20671075
  -V(xc)+E(xc)   XCENC  =       726.60489584
  PAW double counting   =      4094.27094931    -4132.61880284
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.94140902
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641758 eV

  energy without entropy =     -471.72641758  energy(sigma->0) =     -471.72641758


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2180       2 -39.5363       3 -39.5363       4 -58.3139       5 -58.3178
       6 -58.3203       7 -58.3149       8 -58.3152       9 -58.3152      10 -58.3216
      11 -58.3878      12 -58.3517      13 -58.3231      14 -58.3149      15 -58.3247
      16 -58.5428      17 -58.7298      18 -58.3518      19 -58.3203      20 -58.3200
      21 -58.3579      22 -58.5428      23 -58.3878      24 -58.3178      25 -58.3230
      26 -58.3200      27 -58.3247      28 -58.3217      29 -58.3177      30 -58.3215
      31 -58.3246      32 -58.3199      33 -58.3229      34 -58.3202      35 -58.3877
      36 -58.5427      37 -58.3578      38 -58.3199      39 -58.3147      40 -58.3516
      41 -58.7297      42 -58.5427      43 -58.3246      44 -58.3151      45 -58.3230
      46 -58.3516      47 -58.3877      48 -58.3216      49 -58.3137      50 -58.3151
      51 -58.3148      52 -58.3202      53 -58.3177
 
 
 
 E-fermi :  -3.1856     XC(G=0):  -2.3437     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4276      1.00000
      2     -21.6044      1.00000
      3     -21.4827      1.00000
      4     -21.4736      1.00000
      5     -21.4420      1.00000
      6     -21.4412      1.00000
      7     -21.4310      1.00000
      8     -19.7085      1.00000
      9     -19.6536      1.00000
     10     -19.6303      1.00000
     11     -19.6192      1.00000
     12     -19.6140      1.00000
     13     -19.6130      1.00000
     14     -18.7906      1.00000
     15     -18.7555      1.00000
     16     -18.7357      1.00000
     17     -18.7262      1.00000
     18     -18.7190      1.00000
     19     -18.7137      1.00000
     20     -16.6354      1.00000
     21     -16.6096      1.00000
     22     -16.5852      1.00000
     23     -16.5818      1.00000
     24     -16.5548      1.00000
     25     -16.5531      1.00000
     26     -15.6154      1.00000
     27     -15.6027      1.00000
     28     -15.5994      1.00000
     29     -15.5653      1.00000
     30     -15.5636      1.00000
     31     -15.5626      1.00000
     32     -14.2604      1.00000
     33     -14.2511      1.00000
     34     -14.2411      1.00000
     35     -14.2361      1.00000
     36     -14.2229      1.00000
     37     -14.2200      1.00000
     38     -11.9060      1.00000
     39     -11.8791      1.00000
     40     -11.8679      1.00000
     41     -11.8658      1.00000
     42     -11.8451      1.00000
     43     -11.8449      1.00000
     44     -11.7716      1.00000
     45     -11.7689      1.00000
     46     -11.7362      1.00000
     47     -11.7295      1.00000
     48     -11.7253      1.00000
     49     -11.7228      1.00000
     50     -10.6766      1.00000
     51     -10.3890      1.00000
     52     -10.3840      1.00000
     53     -10.3771      1.00000
     54     -10.3693      1.00000
     55     -10.3560      1.00000
     56     -10.3539      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4060      1.00000
     60      -9.3630      1.00000
     61      -9.3624      1.00000
     62      -9.3545      1.00000
     63      -9.1426      1.00000
     64      -9.1220      1.00000
     65      -9.1213      1.00000
     66      -9.0849      1.00000
     67      -9.0720      1.00000
     68      -9.0713      1.00000
     69      -9.0712      1.00000
     70      -9.0642      1.00000
     71      -9.0642      1.00000
     72      -9.0385      1.00000
     73      -9.0289      1.00000
     74      -9.0258      1.00000
     75      -8.1301      1.00000
     76      -7.7458      1.00000
     77      -7.4688      1.00000
     78      -7.4667      1.00000
     79      -7.4538      1.00000
     80      -7.4342      1.00000
     81      -7.4247      1.00000
     82      -7.4066      1.00000
     83      -7.3130      1.00000
     84      -7.2712      1.00000
     85      -7.2576      1.00000
     86      -7.2491      1.00000
     87      -7.1508      1.00000
     88      -7.0494      1.00000
     89      -6.4464      1.00000
     90      -6.4161      1.00000
     91      -6.4005      1.00000
     92      -6.3638      1.00000
     93      -6.3531      1.00000
     94      -6.3408      1.00000
     95      -5.9585      1.00000
     96      -5.9582      1.00000
     97      -4.8064      1.00000
     98      -4.5444      1.00000
     99      -4.4815      1.00000
    100      -4.4744      1.00000
    101      -4.3823      1.00000
    102      -4.3817      1.00000
    103      -4.2678      1.00000
    104      -4.1873      1.00000
    105      -3.7393      1.00000
    106      -3.4776      1.00000
    107      -1.8619      0.00000
    108      -1.6706      0.00000
    109      -1.6241      0.00000
    110      -1.5913      0.00000
    111      -1.5758      0.00000
    112      -1.5749      0.00000
    113      -0.4288      0.00000
    114       0.1458      0.00000
    115       0.1920      0.00000
    116       0.2556      0.00000
    117       0.2675      0.00000
    118       0.2714      0.00000
    119       0.4771      0.00000
    120       0.5480      0.00000
    121       1.2480      0.00000
    122       1.2900      0.00000
    123       1.5371      0.00000
    124       1.7714      0.00000
    125       1.7742      0.00000
    126       1.7747      0.00000
    127       1.7967      0.00000
    128       1.8298      0.00000
    129       1.9587      0.00000
    130       1.9690      0.00000
    131       1.9746      0.00000
    132       1.9893      0.00000
    133       1.9964      0.00000
    134       2.0790      0.00000
    135       2.2506      0.00000
    136       2.3451      0.00000
    137       2.6107      0.00000
    138       2.6122      0.00000
    139       2.6394      0.00000
    140       2.7113      0.00000
    141       2.9358      0.00000
    142       3.0443      0.00000
    143       3.0599      0.00000
    144       3.0945      0.00000
    145       3.0964      0.00000
    146       3.1025      0.00000
    147       3.1040      0.00000
    148       3.2774      0.00000
    149       3.4494      0.00000
    150       3.5080      0.00000
    151       3.8235      0.00000
    152       3.9583      0.00000
    153       3.9585      0.00000
    154       3.9616      0.00000
    155       3.9680      0.00000
    156       3.9984      0.00000
    157       4.1870      0.00000
    158       4.2624      0.00000
    159       4.2744      0.00000
    160       4.2838      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8318      1.00000
      3     -21.6395      1.00000
      4     -21.6116      1.00000
      5     -21.2759      1.00000
      6     -21.2364      1.00000
      7     -21.0580      1.00000
      8     -20.1688      1.00000
      9     -20.1305      1.00000
     10     -19.6096      1.00000
     11     -19.5985      1.00000
     12     -19.4181      1.00000
     13     -19.0906      1.00000
     14     -19.0609      1.00000
     15     -19.0498      1.00000
     16     -19.0424      1.00000
     17     -18.3615      1.00000
     18     -18.3531      1.00000
     19     -18.0198      1.00000
     20     -17.0698      1.00000
     21     -17.0310      1.00000
     22     -16.9445      1.00000
     23     -16.9406      1.00000
     24     -16.4685      1.00000
     25     -16.4638      1.00000
     26     -15.6149      1.00000
     27     -15.6081      1.00000
     28     -15.2533      1.00000
     29     -15.2442      1.00000
     30     -15.1854      1.00000
     31     -15.0985      1.00000
     32     -15.0717      1.00000
     33     -14.6992      1.00000
     34     -14.6972      1.00000
     35     -13.7270      1.00000
     36     -13.7245      1.00000
     37     -13.2362      1.00000
     38     -12.6146      1.00000
     39     -12.5844      1.00000
     40     -12.4549      1.00000
     41     -12.4512      1.00000
     42     -12.1096      1.00000
     43     -12.1051      1.00000
     44     -11.7179      1.00000
     45     -11.6870      1.00000
     46     -11.2355      1.00000
     47     -11.2262      1.00000
     48     -11.0182      1.00000
     49     -11.0102      1.00000
     50     -10.9272      1.00000
     51     -10.9057      1.00000
     52     -10.6317      1.00000
     53     -10.1553      1.00000
     54     -10.1513      1.00000
     55     -10.0921      1.00000
     56      -9.9990      1.00000
     57      -9.7033      1.00000
     58      -9.6953      1.00000
     59      -9.6565      1.00000
     60      -9.5922      1.00000
     61      -9.5771      1.00000
     62      -9.5591      1.00000
     63      -9.3074      1.00000
     64      -9.3036      1.00000
     65      -9.2746      1.00000
     66      -9.2370      1.00000
     67      -9.1372      1.00000
     68      -9.1153      1.00000
     69      -9.1116      1.00000
     70      -8.9402      1.00000
     71      -8.8725      1.00000
     72      -8.6046      1.00000
     73      -8.5910      1.00000
     74      -8.2367      1.00000
     75      -8.1006      1.00000
     76      -7.9135      1.00000
     77      -7.8640      1.00000
     78      -7.7718      1.00000
     79      -7.7570      1.00000
     80      -7.6923      1.00000
     81      -7.5607      1.00000
     82      -7.3390      1.00000
     83      -7.3229      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0125      1.00000
     88      -6.7047      1.00000
     89      -6.6783      1.00000
     90      -6.6413      1.00000
     91      -6.5979      1.00000
     92      -6.1159      1.00000
     93      -6.0624      1.00000
     94      -6.0313      1.00000
     95      -6.0116      1.00000
     96      -5.7835      1.00000
     97      -4.9745      1.00000
     98      -4.8322      1.00000
     99      -4.7471      1.00000
    100      -4.6795      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1719      1.00000
    104      -4.1280      1.00000
    105      -3.7296      1.00000
    106      -3.4878      1.00000
    107      -1.8703      0.00000
    108      -1.8089      0.00000
    109      -1.5244      0.00000
    110      -1.3775      0.00000
    111      -1.3214      0.00000
    112      -1.2880      0.00000
    113      -0.7199      0.00000
    114      -0.3760      0.00000
    115      -0.2499      0.00000
    116       0.0369      0.00000
    117       0.5559      0.00000
    118       0.6985      0.00000
    119       0.7464      0.00000
    120       1.0480      0.00000
    121       1.1000      0.00000
    122       1.1498      0.00000
    123       1.2274      0.00000
    124       1.3778      0.00000
    125       1.5238      0.00000
    126       1.5834      0.00000
    127       1.7152      0.00000
    128       1.8127      0.00000
    129       1.8576      0.00000
    130       1.8817      0.00000
    131       2.0961      0.00000
    132       2.1872      0.00000
    133       2.2413      0.00000
    134       2.3065      0.00000
    135       2.5137      0.00000
    136       2.5896      0.00000
    137       2.6379      0.00000
    138       2.7792      0.00000
    139       2.7956      0.00000
    140       2.8263      0.00000
    141       2.8572      0.00000
    142       2.9005      0.00000
    143       2.9414      0.00000
    144       3.0815      0.00000
    145       3.1541      0.00000
    146       3.3173      0.00000
    147       3.3811      0.00000
    148       3.4274      0.00000
    149       3.4674      0.00000
    150       3.6173      0.00000
    151       3.6460      0.00000
    152       3.6669      0.00000
    153       3.7130      0.00000
    154       3.9111      0.00000
    155       3.9600      0.00000
    156       4.0168      0.00000
    157       4.0670      0.00000
    158       4.2380      0.00000
    159       4.2515      0.00000
    160       4.2756      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2849      1.00000
      2     -22.0793      1.00000
      3     -21.7179      1.00000
      4     -21.6861      1.00000
      5     -20.9806      1.00000
      6     -20.9400      1.00000
      7     -20.6130      1.00000
      8     -20.5763      1.00000
      9     -20.5700      1.00000
     10     -20.0337      1.00000
     11     -19.5044      1.00000
     12     -19.4926      1.00000
     13     -19.3078      1.00000
     14     -19.3026      1.00000
     15     -18.4485      1.00000
     16     -18.4118      1.00000
     17     -17.9231      1.00000
     18     -17.9137      1.00000
     19     -17.7623      1.00000
     20     -17.7266      1.00000
     21     -17.4366      1.00000
     22     -17.4292      1.00000
     23     -17.3415      1.00000
     24     -16.4635      1.00000
     25     -16.4623      1.00000
     26     -15.9678      1.00000
     27     -15.4151      1.00000
     28     -15.4096      1.00000
     29     -15.0973      1.00000
     30     -15.0939      1.00000
     31     -14.8555      1.00000
     32     -14.8479      1.00000
     33     -14.2908      1.00000
     34     -14.2580      1.00000
     35     -13.4371      1.00000
     36     -13.4046      1.00000
     37     -13.1779      1.00000
     38     -13.1746      1.00000
     39     -12.9826      1.00000
     40     -12.9777      1.00000
     41     -12.6134      1.00000
     42     -12.6103      1.00000
     43     -12.1981      1.00000
     44     -11.5771      1.00000
     45     -11.5434      1.00000
     46     -11.3112      1.00000
     47     -11.2884      1.00000
     48     -11.1423      1.00000
     49     -10.6767      1.00000
     50     -10.6607      1.00000
     51     -10.5537      1.00000
     52     -10.3237      1.00000
     53     -10.3181      1.00000
     54     -10.1699      1.00000
     55     -10.1156      1.00000
     56     -10.1130      1.00000
     57      -9.7987      1.00000
     58      -9.7651      1.00000
     59      -9.7524      1.00000
     60      -9.7004      1.00000
     61      -9.6972      1.00000
     62      -9.6627      1.00000
     63      -9.3546      1.00000
     64      -9.3518      1.00000
     65      -9.3158      1.00000
     66      -9.0415      1.00000
     67      -8.9623      1.00000
     68      -8.9499      1.00000
     69      -8.8000      1.00000
     70      -8.5952      1.00000
     71      -8.5581      1.00000
     72      -8.3988      1.00000
     73      -8.3653      1.00000
     74      -8.3247      1.00000
     75      -8.3072      1.00000
     76      -8.2590      1.00000
     77      -8.2574      1.00000
     78      -8.2366      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3866      1.00000
     83      -7.3495      1.00000
     84      -7.2309      1.00000
     85      -7.0967      1.00000
     86      -7.0391      1.00000
     87      -6.9342      1.00000
     88      -6.8483      1.00000
     89      -6.6127      1.00000
     90      -6.5588      1.00000
     91      -6.2698      1.00000
     92      -6.0440      1.00000
     93      -5.9518      1.00000
     94      -5.6629      1.00000
     95      -5.6228      1.00000
     96      -5.4633      1.00000
     97      -5.3201      1.00000
     98      -5.2790      1.00000
     99      -5.2140      1.00000
    100      -5.1940      1.00000
    101      -4.5085      1.00000
    102      -4.2077      1.00000
    103      -4.0593      1.00000
    104      -3.9892      1.00000
    105      -3.6943      1.00000
    106      -3.4980      1.00000
    107      -1.9462      0.00000
    108      -1.8963      0.00000
    109      -1.3390      0.00000
    110      -1.0849      0.00000
    111      -1.0582      0.00000
    112      -0.8003      0.00000
    113      -0.6776      0.00000
    114      -0.6468      0.00000
    115      -0.6072      0.00000
    116      -0.1080      0.00000
    117       0.2155      0.00000
    118       0.3291      0.00000
    119       0.6943      0.00000
    120       0.8877      0.00000
    121       1.1273      0.00000
    122       1.1992      0.00000
    123       1.3265      0.00000
    124       1.4210      0.00000
    125       1.5544      0.00000
    126       1.5764      0.00000
    127       1.6800      0.00000
    128       1.8078      0.00000
    129       1.8826      0.00000
    130       2.0555      0.00000
    131       2.1217      0.00000
    132       2.3252      0.00000
    133       2.3583      0.00000
    134       2.3961      0.00000
    135       2.5466      0.00000
    136       2.6306      0.00000
    137       2.7297      0.00000
    138       2.7551      0.00000
    139       2.8242      0.00000
    140       2.8814      0.00000
    141       3.0477      0.00000
    142       3.0572      0.00000
    143       3.1637      0.00000
    144       3.2643      0.00000
    145       3.3611      0.00000
    146       3.4155      0.00000
    147       3.4330      0.00000
    148       3.5662      0.00000
    149       3.5836      0.00000
    150       3.6003      0.00000
    151       3.6599      0.00000
    152       3.6749      0.00000
    153       3.7801      0.00000
    154       3.8004      0.00000
    155       3.8052      0.00000
    156       3.8929      0.00000
    157       3.9221      0.00000
    158       3.9935      0.00000
    159       4.2147      0.00000
    160       4.2252      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.9641      1.00000
      3     -21.8950      1.00000
      4     -21.3822      1.00000
      5     -21.3530      1.00000
      6     -20.8409      1.00000
      7     -20.7756      1.00000
      8     -20.6253      1.00000
      9     -20.0787      1.00000
     10     -20.0731      1.00000
     11     -19.7179      1.00000
     12     -19.6934      1.00000
     13     -18.9975      1.00000
     14     -18.9916      1.00000
     15     -18.6416      1.00000
     16     -18.6257      1.00000
     17     -18.4630      1.00000
     18     -17.6760      1.00000
     19     -17.6256      1.00000
     20     -17.6228      1.00000
     21     -17.5810      1.00000
     22     -17.1273      1.00000
     23     -17.1058      1.00000
     24     -16.9627      1.00000
     25     -16.0023      1.00000
     26     -15.9305      1.00000
     27     -15.5865      1.00000
     28     -15.5862      1.00000
     29     -15.2876      1.00000
     30     -14.8648      1.00000
     31     -14.8375      1.00000
     32     -14.5795      1.00000
     33     -14.5376      1.00000
     34     -14.1694      1.00000
     35     -14.1558      1.00000
     36     -13.1484      1.00000
     37     -13.1013      1.00000
     38     -13.0302      1.00000
     39     -13.0200      1.00000
     40     -12.7095      1.00000
     41     -12.7053      1.00000
     42     -12.3423      1.00000
     43     -12.3110      1.00000
     44     -11.6365      1.00000
     45     -11.6229      1.00000
     46     -11.5727      1.00000
     47     -10.9501      1.00000
     48     -10.9170      1.00000
     49     -10.6329      1.00000
     50     -10.6248      1.00000
     51     -10.5479      1.00000
     52     -10.5002      1.00000
     53     -10.4999      1.00000
     54     -10.4399      1.00000
     55     -10.3607      1.00000
     56     -10.1001      1.00000
     57      -9.9042      1.00000
     58      -9.6087      1.00000
     59      -9.5565      1.00000
     60      -9.4530      1.00000
     61      -9.4126      1.00000
     62      -9.4056      1.00000
     63      -9.3776      1.00000
     64      -9.3772      1.00000
     65      -9.2880      1.00000
     66      -9.1691      1.00000
     67      -9.1435      1.00000
     68      -9.1151      1.00000
     69      -8.8652      1.00000
     70      -8.8576      1.00000
     71      -8.8157      1.00000
     72      -8.5975      1.00000
     73      -8.4805      1.00000
     74      -8.1991      1.00000
     75      -8.1637      1.00000
     76      -8.0093      1.00000
     77      -7.9640      1.00000
     78      -7.8507      1.00000
     79      -7.8406      1.00000
     80      -7.7044      1.00000
     81      -7.6970      1.00000
     82      -7.6224      1.00000
     83      -7.4490      1.00000
     84      -7.3009      1.00000
     85      -7.2533      1.00000
     86      -6.9065      1.00000
     87      -6.8928      1.00000
     88      -6.5890      1.00000
     89      -6.5515      1.00000
     90      -6.4062      1.00000
     91      -6.2537      1.00000
     92      -6.2330      1.00000
     93      -6.2055      1.00000
     94      -6.0232      1.00000
     95      -5.5502      1.00000
     96      -5.4891      1.00000
     97      -5.3505      1.00000
     98      -5.2198      1.00000
     99      -4.9795      1.00000
    100      -4.7327      1.00000
    101      -4.6781      1.00000
    102      -4.3875      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5464      1.00000
    106      -3.5100      1.00000
    107      -2.2563      0.00000
    108      -1.4566      0.00000
    109      -1.3712      0.00000
    110      -1.2418      0.00000
    111      -1.0979      0.00000
    112      -0.9450      0.00000
    113      -0.8637      0.00000
    114      -0.8032      0.00000
    115      -0.1393      0.00000
    116       0.1111      0.00000
    117       0.2407      0.00000
    118       0.3777      0.00000
    119       0.6518      0.00000
    120       0.8359      0.00000
    121       0.9366      0.00000
    122       1.0639      0.00000
    123       1.2335      0.00000
    124       1.4481      0.00000
    125       1.5511      0.00000
    126       1.7664      0.00000
    127       1.7931      0.00000
    128       1.8727      0.00000
    129       1.9700      0.00000
    130       2.0438      0.00000
    131       2.1766      0.00000
    132       2.1926      0.00000
    133       2.4108      0.00000
    134       2.4567      0.00000
    135       2.5278      0.00000
    136       2.6043      0.00000
    137       2.6374      0.00000
    138       2.6959      0.00000
    139       2.7779      0.00000
    140       2.8346      0.00000
    141       2.9497      0.00000
    142       3.0832      0.00000
    143       3.2017      0.00000
    144       3.2072      0.00000
    145       3.2555      0.00000
    146       3.3250      0.00000
    147       3.3291      0.00000
    148       3.4666      0.00000
    149       3.5002      0.00000
    150       3.6981      0.00000
    151       3.7111      0.00000
    152       3.7261      0.00000
    153       3.8580      0.00000
    154       3.9121      0.00000
    155       3.9464      0.00000
    156       3.9807      0.00000
    157       4.0129      0.00000
    158       4.0341      0.00000
    159       4.0500      0.00000
    160       4.0664      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2119      1.00000
      2     -22.1189      1.00000
      3     -21.9582      1.00000
      4     -21.4057      1.00000
      5     -21.0510      1.00000
      6     -21.0151      1.00000
      7     -20.5019      1.00000
      8     -20.4624      1.00000
      9     -20.2961      1.00000
     10     -20.2768      1.00000
     11     -19.9587      1.00000
     12     -19.8930      1.00000
     13     -18.8835      1.00000
     14     -18.8148      1.00000
     15     -18.3538      1.00000
     16     -18.3076      1.00000
     17     -18.1540      1.00000
     18     -18.1368      1.00000
     19     -17.8276      1.00000
     20     -17.7901      1.00000
     21     -17.2525      1.00000
     22     -17.2425      1.00000
     23     -17.1655      1.00000
     24     -17.1337      1.00000
     25     -16.1110      1.00000
     26     -15.8865      1.00000
     27     -15.8711      1.00000
     28     -15.8350      1.00000
     29     -15.2371      1.00000
     30     -14.5559      1.00000
     31     -14.5280      1.00000
     32     -14.2808      1.00000
     33     -13.9644      1.00000
     34     -13.9569      1.00000
     35     -13.8209      1.00000
     36     -13.8051      1.00000
     37     -13.6154      1.00000
     38     -13.5716      1.00000
     39     -13.3710      1.00000
     40     -12.6354      1.00000
     41     -12.1816      1.00000
     42     -12.1336      1.00000
     43     -12.0730      1.00000
     44     -12.0207      1.00000
     45     -11.6701      1.00000
     46     -11.6566      1.00000
     47     -11.1395      1.00000
     48     -11.1189      1.00000
     49     -10.7954      1.00000
     50     -10.7318      1.00000
     51     -10.5294      1.00000
     52     -10.2091      1.00000
     53     -10.2064      1.00000
     54     -10.1654      1.00000
     55     -10.0184      1.00000
     56     -10.0049      1.00000
     57      -9.9913      1.00000
     58      -9.8018      1.00000
     59      -9.7980      1.00000
     60      -9.7627      1.00000
     61      -9.7579      1.00000
     62      -9.4552      1.00000
     63      -9.4180      1.00000
     64      -9.0810      1.00000
     65      -9.0729      1.00000
     66      -9.0413      1.00000
     67      -8.9558      1.00000
     68      -8.8778      1.00000
     69      -8.7126      1.00000
     70      -8.7003      1.00000
     71      -8.5664      1.00000
     72      -8.5435      1.00000
     73      -8.4998      1.00000
     74      -8.4630      1.00000
     75      -8.4538      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0438      1.00000
     79      -7.9160      1.00000
     80      -7.8635      1.00000
     81      -7.6151      1.00000
     82      -7.5489      1.00000
     83      -7.4902      1.00000
     84      -7.2680      1.00000
     85      -6.9954      1.00000
     86      -6.9233      1.00000
     87      -6.8822      1.00000
     88      -6.5327      1.00000
     89      -6.4874      1.00000
     90      -6.4615      1.00000
     91      -6.4104      1.00000
     92      -5.9841      1.00000
     93      -5.8976      1.00000
     94      -5.7847      1.00000
     95      -5.7598      1.00000
     96      -5.4322      1.00000
     97      -5.3294      1.00000
     98      -5.2304      1.00000
     99      -5.2178      1.00000
    100      -5.1885      1.00000
    101      -4.6922      1.00000
    102      -4.4215      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5291      1.00000
    106      -3.2742      1.00000
    107      -2.5312      0.00000
    108      -1.4581      0.00000
    109      -1.2666      0.00000
    110      -1.2029      0.00000
    111      -1.1725      0.00000
    112      -0.7196      0.00000
    113      -0.5034      0.00000
    114      -0.4119      0.00000
    115      -0.3395      0.00000
    116      -0.1459      0.00000
    117      -0.0028      0.00000
    118       0.1939      0.00000
    119       0.5613      0.00000
    120       0.6126      0.00000
    121       0.7963      0.00000
    122       0.9070      0.00000
    123       1.1326      0.00000
    124       1.4939      0.00000
    125       1.6349      0.00000
    126       1.8538      0.00000
    127       1.9273      0.00000
    128       2.1058      0.00000
    129       2.1161      0.00000
    130       2.1485      0.00000
    131       2.1863      0.00000
    132       2.2799      0.00000
    133       2.3377      0.00000
    134       2.4676      0.00000
    135       2.5802      0.00000
    136       2.6578      0.00000
    137       2.8548      0.00000
    138       2.8716      0.00000
    139       2.8938      0.00000
    140       3.0170      0.00000
    141       3.0253      0.00000
    142       3.1406      0.00000
    143       3.1796      0.00000
    144       3.2332      0.00000
    145       3.2740      0.00000
    146       3.2846      0.00000
    147       3.3006      0.00000
    148       3.3469      0.00000
    149       3.4235      0.00000
    150       3.4442      0.00000
    151       3.5526      0.00000
    152       3.6226      0.00000
    153       3.7051      0.00000
    154       3.7293      0.00000
    155       3.7732      0.00000
    156       3.8948      0.00000
    157       3.9406      0.00000
    158       4.0055      0.00000
    159       4.1322      0.00000
    160       4.2240      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3187      1.00000
      2     -21.9657      1.00000
      3     -21.8935      1.00000
      4     -21.3859      1.00000
      5     -21.3494      1.00000
      6     -20.8407      1.00000
      7     -20.7743      1.00000
      8     -20.6262      1.00000
      9     -20.0907      1.00000
     10     -20.0619      1.00000
     11     -19.7195      1.00000
     12     -19.6907      1.00000
     13     -19.0108      1.00000
     14     -18.9797      1.00000
     15     -18.6507      1.00000
     16     -18.6179      1.00000
     17     -18.4616      1.00000
     18     -17.6613      1.00000
     19     -17.6476      1.00000
     20     -17.6114      1.00000
     21     -17.5789      1.00000
     22     -17.1380      1.00000
     23     -17.0981      1.00000
     24     -16.9664      1.00000
     25     -16.0087      1.00000
     26     -15.9239      1.00000
     27     -15.5998      1.00000
     28     -15.5762      1.00000
     29     -15.2803      1.00000
     30     -14.8774      1.00000
     31     -14.8304      1.00000
     32     -14.5753      1.00000
     33     -14.5375      1.00000
     34     -14.1644      1.00000
     35     -14.1603      1.00000
     36     -13.1627      1.00000
     37     -13.0969      1.00000
     38     -13.0238      1.00000
     39     -13.0190      1.00000
     40     -12.7185      1.00000
     41     -12.6952      1.00000
     42     -12.3414      1.00000
     43     -12.3142      1.00000
     44     -11.6318      1.00000
     45     -11.6226      1.00000
     46     -11.5707      1.00000
     47     -10.9412      1.00000
     48     -10.9234      1.00000
     49     -10.6695      1.00000
     50     -10.5901      1.00000
     51     -10.5736      1.00000
     52     -10.5011      1.00000
     53     -10.4897      1.00000
     54     -10.4394      1.00000
     55     -10.3568      1.00000
     56     -10.1044      1.00000
     57      -9.8985      1.00000
     58      -9.6092      1.00000
     59      -9.5520      1.00000
     60      -9.4548      1.00000
     61      -9.4181      1.00000
     62      -9.4099      1.00000
     63      -9.3799      1.00000
     64      -9.3728      1.00000
     65      -9.2681      1.00000
     66      -9.1653      1.00000
     67      -9.1413      1.00000
     68      -9.1159      1.00000
     69      -8.8663      1.00000
     70      -8.8602      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1932      1.00000
     75      -8.1706      1.00000
     76      -8.0761      1.00000
     77      -7.8580      1.00000
     78      -7.8372      1.00000
     79      -7.8242      1.00000
     80      -7.7106      1.00000
     81      -7.6962      1.00000
     82      -7.5977      1.00000
     83      -7.5301      1.00000
     84      -7.3507      1.00000
     85      -7.1679      1.00000
     86      -6.9052      1.00000
     87      -6.8959      1.00000
     88      -6.5928      1.00000
     89      -6.5516      1.00000
     90      -6.4062      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2010      1.00000
     94      -6.0042      1.00000
     95      -5.5320      1.00000
     96      -5.4654      1.00000
     97      -5.3143      1.00000
     98      -5.2097      1.00000
     99      -5.0470      1.00000
    100      -4.7236      1.00000
    101      -4.6716      1.00000
    102      -4.4239      1.00000
    103      -4.1948      1.00000
    104      -3.8428      1.00000
    105      -3.6345      1.00000
    106      -3.4163      1.00000
    107      -2.2925      0.00000
    108      -1.5093      0.00000
    109      -1.2700      0.00000
    110      -1.2623      0.00000
    111      -1.0343      0.00000
    112      -0.9778      0.00000
    113      -0.8681      0.00000
    114      -0.7998      0.00000
    115      -0.2616      0.00000
    116       0.2044      0.00000
    117       0.2396      0.00000
    118       0.3600      0.00000
    119       0.6909      0.00000
    120       0.8942      0.00000
    121       0.9239      0.00000
    122       1.0406      0.00000
    123       1.1670      0.00000
    124       1.5099      0.00000
    125       1.5599      0.00000
    126       1.7108      0.00000
    127       1.7788      0.00000
    128       1.8333      0.00000
    129       1.9622      0.00000
    130       1.9852      0.00000
    131       2.1830      0.00000
    132       2.2624      0.00000
    133       2.4158      0.00000
    134       2.4631      0.00000
    135       2.5254      0.00000
    136       2.6007      0.00000
    137       2.6188      0.00000
    138       2.6993      0.00000
    139       2.7576      0.00000
    140       2.8636      0.00000
    141       3.0363      0.00000
    142       3.0814      0.00000
    143       3.1887      0.00000
    144       3.2440      0.00000
    145       3.2570      0.00000
    146       3.2971      0.00000
    147       3.3552      0.00000
    148       3.4517      0.00000
    149       3.5207      0.00000
    150       3.6920      0.00000
    151       3.7173      0.00000
    152       3.7474      0.00000
    153       3.8306      0.00000
    154       3.8902      0.00000
    155       3.9329      0.00000
    156       3.9791      0.00000
    157       4.0088      0.00000
    158       4.0390      0.00000
    159       4.0464      0.00000
    160       4.0833      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8320      1.00000
      3     -21.6427      1.00000
      4     -21.6077      1.00000
      5     -21.2800      1.00000
      6     -21.2330      1.00000
      7     -21.0577      1.00000
      8     -20.1726      1.00000
      9     -20.1264      1.00000
     10     -19.6179      1.00000
     11     -19.5917      1.00000
     12     -19.4167      1.00000
     13     -19.0956      1.00000
     14     -19.0569      1.00000
     15     -19.0525      1.00000
     16     -19.0397      1.00000
     17     -18.3676      1.00000
     18     -18.3478      1.00000
     19     -18.0175      1.00000
     20     -17.0731      1.00000
     21     -17.0243      1.00000
     22     -16.9503      1.00000
     23     -16.9364      1.00000
     24     -16.4753      1.00000
     25     -16.4634      1.00000
     26     -15.6101      1.00000
     27     -15.6096      1.00000
     28     -15.2505      1.00000
     29     -15.2384      1.00000
     30     -15.1923      1.00000
     31     -15.1022      1.00000
     32     -15.0692      1.00000
     33     -14.6988      1.00000
     34     -14.6978      1.00000
     35     -13.7254      1.00000
     36     -13.7253      1.00000
     37     -13.2359      1.00000
     38     -12.6247      1.00000
     39     -12.5805      1.00000
     40     -12.4555      1.00000
     41     -12.4501      1.00000
     42     -12.1053      1.00000
     43     -12.1003      1.00000
     44     -11.7219      1.00000
     45     -11.6833      1.00000
     46     -11.2456      1.00000
     47     -11.2249      1.00000
     48     -11.0182      1.00000
     49     -11.0065      1.00000
     50     -10.9280      1.00000
     51     -10.8994      1.00000
     52     -10.6377      1.00000
     53     -10.1729      1.00000
     54     -10.1499      1.00000
     55     -10.0852      1.00000
     56      -9.9927      1.00000
     57      -9.6966      1.00000
     58      -9.6901      1.00000
     59      -9.6710      1.00000
     60      -9.5915      1.00000
     61      -9.5675      1.00000
     62      -9.5543      1.00000
     63      -9.3132      1.00000
     64      -9.3005      1.00000
     65      -9.2837      1.00000
     66      -9.2430      1.00000
     67      -9.1227      1.00000
     68      -9.1130      1.00000
     69      -9.1113      1.00000
     70      -8.9401      1.00000
     71      -8.8753      1.00000
     72      -8.6049      1.00000
     73      -8.5862      1.00000
     74      -8.2712      1.00000
     75      -8.1016      1.00000
     76      -7.8675      1.00000
     77      -7.8440      1.00000
     78      -7.7907      1.00000
     79      -7.7650      1.00000
     80      -7.7560      1.00000
     81      -7.4473      1.00000
     82      -7.3350      1.00000
     83      -7.3235      1.00000
     84      -7.2664      1.00000
     85      -7.1628      1.00000
     86      -7.0148      1.00000
     87      -6.9867      1.00000
     88      -6.7179      1.00000
     89      -6.6908      1.00000
     90      -6.6319      1.00000
     91      -6.5907      1.00000
     92      -6.1179      1.00000
     93      -6.0590      1.00000
     94      -6.0448      1.00000
     95      -6.0286      1.00000
     96      -5.7481      1.00000
     97      -4.9748      1.00000
     98      -4.8397      1.00000
     99      -4.7091      1.00000
    100      -4.6735      1.00000
    101      -4.4837      1.00000
    102      -4.3523      1.00000
    103      -4.1119      1.00000
    104      -4.0556      1.00000
    105      -3.7550      1.00000
    106      -3.4654      1.00000
    107      -1.9506      0.00000
    108      -1.7711      0.00000
    109      -1.4798      0.00000
    110      -1.3555      0.00000
    111      -1.3359      0.00000
    112      -1.2926      0.00000
    113      -0.6785      0.00000
    114      -0.4719      0.00000
    115      -0.2354      0.00000
    116       0.0516      0.00000
    117       0.5876      0.00000
    118       0.6924      0.00000
    119       0.7701      0.00000
    120       1.0228      0.00000
    121       1.0970      0.00000
    122       1.1767      0.00000
    123       1.2501      0.00000
    124       1.3348      0.00000
    125       1.4337      0.00000
    126       1.5996      0.00000
    127       1.7620      0.00000
    128       1.8428      0.00000
    129       1.8598      0.00000
    130       1.8877      0.00000
    131       2.0446      0.00000
    132       2.2174      0.00000
    133       2.2329      0.00000
    134       2.2862      0.00000
    135       2.4798      0.00000
    136       2.6178      0.00000
    137       2.6404      0.00000
    138       2.7532      0.00000
    139       2.7937      0.00000
    140       2.8363      0.00000
    141       2.8478      0.00000
    142       2.8685      0.00000
    143       2.9450      0.00000
    144       3.0858      0.00000
    145       3.3141      0.00000
    146       3.3544      0.00000
    147       3.4048      0.00000
    148       3.4174      0.00000
    149       3.4229      0.00000
    150       3.6010      0.00000
    151       3.6480      0.00000
    152       3.6761      0.00000
    153       3.7306      0.00000
    154       3.8955      0.00000
    155       3.9245      0.00000
    156       3.9551      0.00000
    157       4.1064      0.00000
    158       4.2054      0.00000
    159       4.2556      0.00000
    160       4.2832      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2110      1.00000
      2     -22.1202      1.00000
      3     -21.9578      1.00000
      4     -21.4058      1.00000
      5     -21.0472      1.00000
      6     -21.0189      1.00000
      7     -20.4971      1.00000
      8     -20.4672      1.00000
      9     -20.2873      1.00000
     10     -20.2853      1.00000
     11     -19.9576      1.00000
     12     -19.8945      1.00000
     13     -18.8842      1.00000
     14     -18.8166      1.00000
     15     -18.3385      1.00000
     16     -18.3195      1.00000
     17     -18.1498      1.00000
     18     -18.1424      1.00000
     19     -17.8165      1.00000
     20     -17.7985      1.00000
     21     -17.2587      1.00000
     22     -17.2391      1.00000
     23     -17.1608      1.00000
     24     -17.1360      1.00000
     25     -16.1174      1.00000
     26     -15.8812      1.00000
     27     -15.8701      1.00000
     28     -15.8409      1.00000
     29     -15.2314      1.00000
     30     -14.5513      1.00000
     31     -14.5329      1.00000
     32     -14.2760      1.00000
     33     -13.9755      1.00000
     34     -13.9519      1.00000
     35     -13.8253      1.00000
     36     -13.8030      1.00000
     37     -13.6044      1.00000
     38     -13.5792      1.00000
     39     -13.3712      1.00000
     40     -12.6396      1.00000
     41     -12.1691      1.00000
     42     -12.1428      1.00000
     43     -12.0685      1.00000
     44     -12.0217      1.00000
     45     -11.6654      1.00000
     46     -11.6608      1.00000
     47     -11.1369      1.00000
     48     -11.1258      1.00000
     49     -10.7905      1.00000
     50     -10.7344      1.00000
     51     -10.5361      1.00000
     52     -10.2089      1.00000
     53     -10.2028      1.00000
     54     -10.1711      1.00000
     55     -10.0233      1.00000
     56      -9.9948      1.00000
     57      -9.9907      1.00000
     58      -9.8055      1.00000
     59      -9.7965      1.00000
     60      -9.7649      1.00000
     61      -9.7569      1.00000
     62      -9.4544      1.00000
     63      -9.4179      1.00000
     64      -9.0852      1.00000
     65      -9.0463      1.00000
     66      -9.0260      1.00000
     67      -8.9698      1.00000
     68      -8.8982      1.00000
     69      -8.7086      1.00000
     70      -8.6994      1.00000
     71      -8.5600      1.00000
     72      -8.5493      1.00000
     73      -8.4782      1.00000
     74      -8.4598      1.00000
     75      -8.4571      1.00000
     76      -8.3087      1.00000
     77      -8.0954      1.00000
     78      -8.0896      1.00000
     79      -7.9269      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5369      1.00000
     83      -7.4437      1.00000
     84      -7.3142      1.00000
     85      -6.9941      1.00000
     86      -6.9195      1.00000
     87      -6.8824      1.00000
     88      -6.5277      1.00000
     89      -6.5149      1.00000
     90      -6.4808      1.00000
     91      -6.4207      1.00000
     92      -5.9273      1.00000
     93      -5.9054      1.00000
     94      -5.7889      1.00000
     95      -5.7751      1.00000
     96      -5.3695      1.00000
     97      -5.3632      1.00000
     98      -5.2204      1.00000
     99      -5.2155      1.00000
    100      -5.1989      1.00000
    101      -4.7204      1.00000
    102      -4.4423      1.00000
    103      -4.1909      1.00000
    104      -3.8204      1.00000
    105      -3.5655      1.00000
    106      -3.2215      1.00000
    107      -2.5626      0.00000
    108      -1.4632      0.00000
    109      -1.2673      0.00000
    110      -1.1852      0.00000
    111      -1.1837      0.00000
    112      -0.6447      0.00000
    113      -0.5514      0.00000
    114      -0.4147      0.00000
    115      -0.3474      0.00000
    116      -0.0776      0.00000
    117      -0.0633      0.00000
    118       0.1260      0.00000
    119       0.5931      0.00000
    120       0.6265      0.00000
    121       0.8552      0.00000
    122       0.9858      0.00000
    123       1.0035      0.00000
    124       1.4942      0.00000
    125       1.6839      0.00000
    126       1.7661      0.00000
    127       1.8612      0.00000
    128       2.1139      0.00000
    129       2.1429      0.00000
    130       2.1886      0.00000
    131       2.2103      0.00000
    132       2.2560      0.00000
    133       2.3524      0.00000
    134       2.4943      0.00000
    135       2.5097      0.00000
    136       2.6653      0.00000
    137       2.8526      0.00000
    138       2.8594      0.00000
    139       2.9539      0.00000
    140       3.0045      0.00000
    141       3.0398      0.00000
    142       3.1356      0.00000
    143       3.1920      0.00000
    144       3.2455      0.00000
    145       3.2512      0.00000
    146       3.2802      0.00000
    147       3.3033      0.00000
    148       3.3547      0.00000
    149       3.4190      0.00000
    150       3.5496      0.00000
    151       3.5655      0.00000
    152       3.6473      0.00000
    153       3.6625      0.00000
    154       3.7011      0.00000
    155       3.7268      0.00000
    156       3.8972      0.00000
    157       3.9604      0.00000
    158       4.0373      0.00000
    159       4.0769      0.00000
    160       4.1853      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2845      1.00000
      2     -22.0799      1.00000
      3     -21.7215      1.00000
      4     -21.6822      1.00000
      5     -20.9839      1.00000
      6     -20.9362      1.00000
      7     -20.6125      1.00000
      8     -20.5803      1.00000
      9     -20.5667      1.00000
     10     -20.0333      1.00000
     11     -19.5143      1.00000
     12     -19.4842      1.00000
     13     -19.3123      1.00000
     14     -19.2992      1.00000
     15     -18.4505      1.00000
     16     -18.4074      1.00000
     17     -17.9283      1.00000
     18     -17.9079      1.00000
     19     -17.7668      1.00000
     20     -17.7218      1.00000
     21     -17.4423      1.00000
     22     -17.4238      1.00000
     23     -17.3389      1.00000
     24     -16.4714      1.00000
     25     -16.4612      1.00000
     26     -15.9714      1.00000
     27     -15.4115      1.00000
     28     -15.4105      1.00000
     29     -15.0964      1.00000
     30     -15.0934      1.00000
     31     -14.8536      1.00000
     32     -14.8412      1.00000
     33     -14.2984      1.00000
     34     -14.2547      1.00000
     35     -13.4448      1.00000
     36     -13.4010      1.00000
     37     -13.1755      1.00000
     38     -13.1741      1.00000
     39     -12.9864      1.00000
     40     -12.9775      1.00000
     41     -12.6110      1.00000
     42     -12.6089      1.00000
     43     -12.1973      1.00000
     44     -11.5798      1.00000
     45     -11.5387      1.00000
     46     -11.3137      1.00000
     47     -11.2834      1.00000
     48     -11.1425      1.00000
     49     -10.6926      1.00000
     50     -10.6632      1.00000
     51     -10.5475      1.00000
     52     -10.3228      1.00000
     53     -10.3151      1.00000
     54     -10.1762      1.00000
     55     -10.1214      1.00000
     56     -10.1082      1.00000
     57      -9.8120      1.00000
     58      -9.7530      1.00000
     59      -9.7525      1.00000
     60      -9.7026      1.00000
     61      -9.6988      1.00000
     62      -9.6473      1.00000
     63      -9.3530      1.00000
     64      -9.3516      1.00000
     65      -9.3180      1.00000
     66      -9.0282      1.00000
     67      -8.9619      1.00000
     68      -8.9581      1.00000
     69      -8.7758      1.00000
     70      -8.5917      1.00000
     71      -8.5886      1.00000
     72      -8.4241      1.00000
     73      -8.3500      1.00000
     74      -8.3226      1.00000
     75      -8.3024      1.00000
     76      -8.2658      1.00000
     77      -8.2542      1.00000
     78      -8.2394      1.00000
     79      -7.9217      1.00000
     80      -7.7341      1.00000
     81      -7.3799      1.00000
     82      -7.3503      1.00000
     83      -7.3236      1.00000
     84      -7.2175      1.00000
     85      -7.1605      1.00000
     86      -7.0654      1.00000
     87      -6.9610      1.00000
     88      -6.9054      1.00000
     89      -6.6133      1.00000
     90      -6.5568      1.00000
     91      -6.2709      1.00000
     92      -5.9968      1.00000
     93      -5.9596      1.00000
     94      -5.6754      1.00000
     95      -5.6488      1.00000
     96      -5.3875      1.00000
     97      -5.3152      1.00000
     98      -5.2941      1.00000
     99      -5.2121      1.00000
    100      -5.2005      1.00000
    101      -4.5115      1.00000
    102      -4.3388      1.00000
    103      -3.9965      1.00000
    104      -3.8860      1.00000
    105      -3.7929      1.00000
    106      -3.4433      1.00000
    107      -2.0345      0.00000
    108      -1.8634      0.00000
    109      -1.2176      0.00000
    110      -1.1842      0.00000
    111      -1.0358      0.00000
    112      -0.7722      0.00000
    113      -0.6773      0.00000
    114      -0.6599      0.00000
    115      -0.6096      0.00000
    116      -0.1017      0.00000
    117       0.2226      0.00000
    118       0.2397      0.00000
    119       0.7698      0.00000
    120       0.9840      0.00000
    121       1.0739      0.00000
    122       1.2415      0.00000
    123       1.2511      0.00000
    124       1.3410      0.00000
    125       1.5785      0.00000
    126       1.5852      0.00000
    127       1.7024      0.00000
    128       1.7973      0.00000
    129       1.9466      0.00000
    130       1.9619      0.00000
    131       2.0822      0.00000
    132       2.2923      0.00000
    133       2.3419      0.00000
    134       2.4164      0.00000
    135       2.5434      0.00000
    136       2.6286      0.00000
    137       2.7638      0.00000
    138       2.8272      0.00000
    139       2.8435      0.00000
    140       2.8665      0.00000
    141       3.0460      0.00000
    142       3.1003      0.00000
    143       3.1528      0.00000
    144       3.2209      0.00000
    145       3.3743      0.00000
    146       3.4136      0.00000
    147       3.5042      0.00000
    148       3.5498      0.00000
    149       3.5905      0.00000
    150       3.6103      0.00000
    151       3.6476      0.00000
    152       3.7354      0.00000
    153       3.7448      0.00000
    154       3.7761      0.00000
    155       3.8140      0.00000
    156       3.8759      0.00000
    157       4.0205      0.00000
    158       4.0865      0.00000
    159       4.1690      0.00000
    160       4.2115      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4276      1.00000
      2     -21.6044      1.00000
      3     -21.4827      1.00000
      4     -21.4736      1.00000
      5     -21.4420      1.00000
      6     -21.4412      1.00000
      7     -21.4310      1.00000
      8     -19.7085      1.00000
      9     -19.6536      1.00000
     10     -19.6303      1.00000
     11     -19.6192      1.00000
     12     -19.6140      1.00000
     13     -19.6130      1.00000
     14     -18.7906      1.00000
     15     -18.7555      1.00000
     16     -18.7357      1.00000
     17     -18.7262      1.00000
     18     -18.7190      1.00000
     19     -18.7137      1.00000
     20     -16.6354      1.00000
     21     -16.6096      1.00000
     22     -16.5852      1.00000
     23     -16.5818      1.00000
     24     -16.5548      1.00000
     25     -16.5531      1.00000
     26     -15.6154      1.00000
     27     -15.6027      1.00000
     28     -15.5994      1.00000
     29     -15.5653      1.00000
     30     -15.5636      1.00000
     31     -15.5626      1.00000
     32     -14.2604      1.00000
     33     -14.2511      1.00000
     34     -14.2411      1.00000
     35     -14.2361      1.00000
     36     -14.2229      1.00000
     37     -14.2200      1.00000
     38     -11.9060      1.00000
     39     -11.8791      1.00000
     40     -11.8679      1.00000
     41     -11.8658      1.00000
     42     -11.8451      1.00000
     43     -11.8449      1.00000
     44     -11.7716      1.00000
     45     -11.7689      1.00000
     46     -11.7362      1.00000
     47     -11.7295      1.00000
     48     -11.7253      1.00000
     49     -11.7228      1.00000
     50     -10.6766      1.00000
     51     -10.3890      1.00000
     52     -10.3840      1.00000
     53     -10.3771      1.00000
     54     -10.3693      1.00000
     55     -10.3560      1.00000
     56     -10.3539      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4060      1.00000
     60      -9.3630      1.00000
     61      -9.3624      1.00000
     62      -9.3545      1.00000
     63      -9.1426      1.00000
     64      -9.1220      1.00000
     65      -9.1213      1.00000
     66      -9.0849      1.00000
     67      -9.0720      1.00000
     68      -9.0713      1.00000
     69      -9.0712      1.00000
     70      -9.0642      1.00000
     71      -9.0642      1.00000
     72      -9.0385      1.00000
     73      -9.0289      1.00000
     74      -9.0258      1.00000
     75      -8.1301      1.00000
     76      -7.7458      1.00000
     77      -7.4688      1.00000
     78      -7.4667      1.00000
     79      -7.4538      1.00000
     80      -7.4342      1.00000
     81      -7.4247      1.00000
     82      -7.4066      1.00000
     83      -7.3130      1.00000
     84      -7.2712      1.00000
     85      -7.2576      1.00000
     86      -7.2491      1.00000
     87      -7.1508      1.00000
     88      -7.0494      1.00000
     89      -6.4464      1.00000
     90      -6.4161      1.00000
     91      -6.4005      1.00000
     92      -6.3638      1.00000
     93      -6.3531      1.00000
     94      -6.3408      1.00000
     95      -5.9585      1.00000
     96      -5.9582      1.00000
     97      -4.8064      1.00000
     98      -4.5444      1.00000
     99      -4.4815      1.00000
    100      -4.4744      1.00000
    101      -4.3823      1.00000
    102      -4.3817      1.00000
    103      -4.2678      1.00000
    104      -4.1873      1.00000
    105      -3.7393      1.00000
    106      -3.4776      1.00000
    107      -1.8619      0.00000
    108      -1.6706      0.00000
    109      -1.6241      0.00000
    110      -1.5913      0.00000
    111      -1.5758      0.00000
    112      -1.5749      0.00000
    113      -0.4288      0.00000
    114       0.1458      0.00000
    115       0.1920      0.00000
    116       0.2556      0.00000
    117       0.2675      0.00000
    118       0.2714      0.00000
    119       0.4771      0.00000
    120       0.5480      0.00000
    121       1.2480      0.00000
    122       1.2900      0.00000
    123       1.5371      0.00000
    124       1.7714      0.00000
    125       1.7742      0.00000
    126       1.7747      0.00000
    127       1.7967      0.00000
    128       1.8298      0.00000
    129       1.9587      0.00000
    130       1.9690      0.00000
    131       1.9746      0.00000
    132       1.9893      0.00000
    133       1.9964      0.00000
    134       2.0790      0.00000
    135       2.2506      0.00000
    136       2.3451      0.00000
    137       2.6107      0.00000
    138       2.6122      0.00000
    139       2.6394      0.00000
    140       2.7113      0.00000
    141       2.9358      0.00000
    142       3.0443      0.00000
    143       3.0599      0.00000
    144       3.0945      0.00000
    145       3.0964      0.00000
    146       3.1025      0.00000
    147       3.1040      0.00000
    148       3.2774      0.00000
    149       3.4494      0.00000
    150       3.5080      0.00000
    151       3.8235      0.00000
    152       3.9583      0.00000
    153       3.9585      0.00000
    154       3.9616      0.00000
    155       3.9680      0.00000
    156       3.9984      0.00000
    157       4.1870      0.00000
    158       4.2624      0.00000
    159       4.2744      0.00000
    160       4.2838      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8318      1.00000
      3     -21.6395      1.00000
      4     -21.6116      1.00000
      5     -21.2759      1.00000
      6     -21.2364      1.00000
      7     -21.0580      1.00000
      8     -20.1688      1.00000
      9     -20.1305      1.00000
     10     -19.6096      1.00000
     11     -19.5985      1.00000
     12     -19.4181      1.00000
     13     -19.0906      1.00000
     14     -19.0609      1.00000
     15     -19.0498      1.00000
     16     -19.0424      1.00000
     17     -18.3615      1.00000
     18     -18.3531      1.00000
     19     -18.0198      1.00000
     20     -17.0698      1.00000
     21     -17.0310      1.00000
     22     -16.9445      1.00000
     23     -16.9406      1.00000
     24     -16.4685      1.00000
     25     -16.4638      1.00000
     26     -15.6149      1.00000
     27     -15.6081      1.00000
     28     -15.2533      1.00000
     29     -15.2442      1.00000
     30     -15.1854      1.00000
     31     -15.0985      1.00000
     32     -15.0717      1.00000
     33     -14.6992      1.00000
     34     -14.6972      1.00000
     35     -13.7270      1.00000
     36     -13.7245      1.00000
     37     -13.2362      1.00000
     38     -12.6146      1.00000
     39     -12.5844      1.00000
     40     -12.4549      1.00000
     41     -12.4512      1.00000
     42     -12.1096      1.00000
     43     -12.1051      1.00000
     44     -11.7179      1.00000
     45     -11.6870      1.00000
     46     -11.2355      1.00000
     47     -11.2262      1.00000
     48     -11.0182      1.00000
     49     -11.0102      1.00000
     50     -10.9272      1.00000
     51     -10.9057      1.00000
     52     -10.6317      1.00000
     53     -10.1553      1.00000
     54     -10.1513      1.00000
     55     -10.0921      1.00000
     56      -9.9990      1.00000
     57      -9.7033      1.00000
     58      -9.6953      1.00000
     59      -9.6565      1.00000
     60      -9.5922      1.00000
     61      -9.5771      1.00000
     62      -9.5591      1.00000
     63      -9.3074      1.00000
     64      -9.3036      1.00000
     65      -9.2746      1.00000
     66      -9.2370      1.00000
     67      -9.1372      1.00000
     68      -9.1153      1.00000
     69      -9.1116      1.00000
     70      -8.9402      1.00000
     71      -8.8725      1.00000
     72      -8.6046      1.00000
     73      -8.5910      1.00000
     74      -8.2367      1.00000
     75      -8.1006      1.00000
     76      -7.9135      1.00000
     77      -7.8640      1.00000
     78      -7.7718      1.00000
     79      -7.7570      1.00000
     80      -7.6923      1.00000
     81      -7.5607      1.00000
     82      -7.3390      1.00000
     83      -7.3229      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0125      1.00000
     88      -6.7047      1.00000
     89      -6.6783      1.00000
     90      -6.6413      1.00000
     91      -6.5979      1.00000
     92      -6.1159      1.00000
     93      -6.0624      1.00000
     94      -6.0313      1.00000
     95      -6.0116      1.00000
     96      -5.7835      1.00000
     97      -4.9745      1.00000
     98      -4.8322      1.00000
     99      -4.7471      1.00000
    100      -4.6795      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1719      1.00000
    104      -4.1280      1.00000
    105      -3.7296      1.00000
    106      -3.4878      1.00000
    107      -1.8703      0.00000
    108      -1.8089      0.00000
    109      -1.5244      0.00000
    110      -1.3775      0.00000
    111      -1.3214      0.00000
    112      -1.2880      0.00000
    113      -0.7199      0.00000
    114      -0.3760      0.00000
    115      -0.2499      0.00000
    116       0.0369      0.00000
    117       0.5559      0.00000
    118       0.6985      0.00000
    119       0.7464      0.00000
    120       1.0480      0.00000
    121       1.1000      0.00000
    122       1.1498      0.00000
    123       1.2274      0.00000
    124       1.3778      0.00000
    125       1.5238      0.00000
    126       1.5834      0.00000
    127       1.7152      0.00000
    128       1.8127      0.00000
    129       1.8576      0.00000
    130       1.8817      0.00000
    131       2.0961      0.00000
    132       2.1872      0.00000
    133       2.2413      0.00000
    134       2.3065      0.00000
    135       2.5137      0.00000
    136       2.5896      0.00000
    137       2.6379      0.00000
    138       2.7792      0.00000
    139       2.7956      0.00000
    140       2.8263      0.00000
    141       2.8572      0.00000
    142       2.9005      0.00000
    143       2.9414      0.00000
    144       3.0815      0.00000
    145       3.1541      0.00000
    146       3.3173      0.00000
    147       3.3811      0.00000
    148       3.4274      0.00000
    149       3.4674      0.00000
    150       3.6172      0.00000
    151       3.6460      0.00000
    152       3.6669      0.00000
    153       3.7130      0.00000
    154       3.9111      0.00000
    155       3.9600      0.00000
    156       4.0168      0.00000
    157       4.0670      0.00000
    158       4.2380      0.00000
    159       4.2515      0.00000
    160       4.2756      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2849      1.00000
      2     -22.0793      1.00000
      3     -21.7179      1.00000
      4     -21.6861      1.00000
      5     -20.9806      1.00000
      6     -20.9400      1.00000
      7     -20.6130      1.00000
      8     -20.5763      1.00000
      9     -20.5700      1.00000
     10     -20.0337      1.00000
     11     -19.5044      1.00000
     12     -19.4926      1.00000
     13     -19.3078      1.00000
     14     -19.3026      1.00000
     15     -18.4485      1.00000
     16     -18.4118      1.00000
     17     -17.9231      1.00000
     18     -17.9137      1.00000
     19     -17.7623      1.00000
     20     -17.7266      1.00000
     21     -17.4366      1.00000
     22     -17.4292      1.00000
     23     -17.3415      1.00000
     24     -16.4635      1.00000
     25     -16.4623      1.00000
     26     -15.9678      1.00000
     27     -15.4151      1.00000
     28     -15.4096      1.00000
     29     -15.0973      1.00000
     30     -15.0939      1.00000
     31     -14.8555      1.00000
     32     -14.8479      1.00000
     33     -14.2908      1.00000
     34     -14.2580      1.00000
     35     -13.4371      1.00000
     36     -13.4046      1.00000
     37     -13.1779      1.00000
     38     -13.1746      1.00000
     39     -12.9826      1.00000
     40     -12.9777      1.00000
     41     -12.6134      1.00000
     42     -12.6103      1.00000
     43     -12.1981      1.00000
     44     -11.5771      1.00000
     45     -11.5434      1.00000
     46     -11.3112      1.00000
     47     -11.2884      1.00000
     48     -11.1423      1.00000
     49     -10.6767      1.00000
     50     -10.6607      1.00000
     51     -10.5537      1.00000
     52     -10.3237      1.00000
     53     -10.3181      1.00000
     54     -10.1699      1.00000
     55     -10.1156      1.00000
     56     -10.1130      1.00000
     57      -9.7987      1.00000
     58      -9.7651      1.00000
     59      -9.7524      1.00000
     60      -9.7004      1.00000
     61      -9.6972      1.00000
     62      -9.6627      1.00000
     63      -9.3546      1.00000
     64      -9.3518      1.00000
     65      -9.3158      1.00000
     66      -9.0415      1.00000
     67      -8.9623      1.00000
     68      -8.9499      1.00000
     69      -8.8000      1.00000
     70      -8.5952      1.00000
     71      -8.5581      1.00000
     72      -8.3988      1.00000
     73      -8.3653      1.00000
     74      -8.3247      1.00000
     75      -8.3072      1.00000
     76      -8.2590      1.00000
     77      -8.2574      1.00000
     78      -8.2366      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3866      1.00000
     83      -7.3495      1.00000
     84      -7.2309      1.00000
     85      -7.0967      1.00000
     86      -7.0391      1.00000
     87      -6.9342      1.00000
     88      -6.8483      1.00000
     89      -6.6127      1.00000
     90      -6.5588      1.00000
     91      -6.2698      1.00000
     92      -6.0440      1.00000
     93      -5.9518      1.00000
     94      -5.6629      1.00000
     95      -5.6228      1.00000
     96      -5.4633      1.00000
     97      -5.3201      1.00000
     98      -5.2790      1.00000
     99      -5.2140      1.00000
    100      -5.1940      1.00000
    101      -4.5085      1.00000
    102      -4.2077      1.00000
    103      -4.0593      1.00000
    104      -3.9892      1.00000
    105      -3.6943      1.00000
    106      -3.4980      1.00000
    107      -1.9462      0.00000
    108      -1.8963      0.00000
    109      -1.3390      0.00000
    110      -1.0849      0.00000
    111      -1.0582      0.00000
    112      -0.8003      0.00000
    113      -0.6776      0.00000
    114      -0.6468      0.00000
    115      -0.6072      0.00000
    116      -0.1080      0.00000
    117       0.2155      0.00000
    118       0.3291      0.00000
    119       0.6943      0.00000
    120       0.8877      0.00000
    121       1.1273      0.00000
    122       1.1992      0.00000
    123       1.3265      0.00000
    124       1.4210      0.00000
    125       1.5544      0.00000
    126       1.5764      0.00000
    127       1.6800      0.00000
    128       1.8078      0.00000
    129       1.8826      0.00000
    130       2.0555      0.00000
    131       2.1217      0.00000
    132       2.3252      0.00000
    133       2.3583      0.00000
    134       2.3961      0.00000
    135       2.5466      0.00000
    136       2.6306      0.00000
    137       2.7297      0.00000
    138       2.7551      0.00000
    139       2.8242      0.00000
    140       2.8814      0.00000
    141       3.0477      0.00000
    142       3.0572      0.00000
    143       3.1637      0.00000
    144       3.2643      0.00000
    145       3.3611      0.00000
    146       3.4155      0.00000
    147       3.4330      0.00000
    148       3.5662      0.00000
    149       3.5836      0.00000
    150       3.6003      0.00000
    151       3.6599      0.00000
    152       3.6749      0.00000
    153       3.7801      0.00000
    154       3.8004      0.00000
    155       3.8052      0.00000
    156       3.8929      0.00000
    157       3.9221      0.00000
    158       3.9935      0.00000
    159       4.2147      0.00000
    160       4.2252      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.9641      1.00000
      3     -21.8950      1.00000
      4     -21.3822      1.00000
      5     -21.3530      1.00000
      6     -20.8409      1.00000
      7     -20.7756      1.00000
      8     -20.6253      1.00000
      9     -20.0787      1.00000
     10     -20.0731      1.00000
     11     -19.7179      1.00000
     12     -19.6934      1.00000
     13     -18.9975      1.00000
     14     -18.9916      1.00000
     15     -18.6416      1.00000
     16     -18.6257      1.00000
     17     -18.4630      1.00000
     18     -17.6760      1.00000
     19     -17.6256      1.00000
     20     -17.6228      1.00000
     21     -17.5810      1.00000
     22     -17.1273      1.00000
     23     -17.1058      1.00000
     24     -16.9627      1.00000
     25     -16.0023      1.00000
     26     -15.9305      1.00000
     27     -15.5865      1.00000
     28     -15.5862      1.00000
     29     -15.2876      1.00000
     30     -14.8648      1.00000
     31     -14.8375      1.00000
     32     -14.5795      1.00000
     33     -14.5376      1.00000
     34     -14.1694      1.00000
     35     -14.1558      1.00000
     36     -13.1484      1.00000
     37     -13.1013      1.00000
     38     -13.0302      1.00000
     39     -13.0200      1.00000
     40     -12.7095      1.00000
     41     -12.7053      1.00000
     42     -12.3423      1.00000
     43     -12.3110      1.00000
     44     -11.6365      1.00000
     45     -11.6229      1.00000
     46     -11.5727      1.00000
     47     -10.9501      1.00000
     48     -10.9170      1.00000
     49     -10.6329      1.00000
     50     -10.6248      1.00000
     51     -10.5479      1.00000
     52     -10.5002      1.00000
     53     -10.4999      1.00000
     54     -10.4399      1.00000
     55     -10.3607      1.00000
     56     -10.1001      1.00000
     57      -9.9042      1.00000
     58      -9.6087      1.00000
     59      -9.5565      1.00000
     60      -9.4530      1.00000
     61      -9.4126      1.00000
     62      -9.4056      1.00000
     63      -9.3776      1.00000
     64      -9.3772      1.00000
     65      -9.2880      1.00000
     66      -9.1691      1.00000
     67      -9.1435      1.00000
     68      -9.1151      1.00000
     69      -8.8652      1.00000
     70      -8.8576      1.00000
     71      -8.8157      1.00000
     72      -8.5975      1.00000
     73      -8.4805      1.00000
     74      -8.1991      1.00000
     75      -8.1637      1.00000
     76      -8.0093      1.00000
     77      -7.9640      1.00000
     78      -7.8507      1.00000
     79      -7.8406      1.00000
     80      -7.7044      1.00000
     81      -7.6970      1.00000
     82      -7.6224      1.00000
     83      -7.4490      1.00000
     84      -7.3009      1.00000
     85      -7.2533      1.00000
     86      -6.9065      1.00000
     87      -6.8928      1.00000
     88      -6.5890      1.00000
     89      -6.5515      1.00000
     90      -6.4062      1.00000
     91      -6.2537      1.00000
     92      -6.2330      1.00000
     93      -6.2055      1.00000
     94      -6.0232      1.00000
     95      -5.5502      1.00000
     96      -5.4891      1.00000
     97      -5.3505      1.00000
     98      -5.2198      1.00000
     99      -4.9795      1.00000
    100      -4.7327      1.00000
    101      -4.6781      1.00000
    102      -4.3875      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5464      1.00000
    106      -3.5100      1.00000
    107      -2.2563      0.00000
    108      -1.4566      0.00000
    109      -1.3712      0.00000
    110      -1.2418      0.00000
    111      -1.0979      0.00000
    112      -0.9450      0.00000
    113      -0.8637      0.00000
    114      -0.8032      0.00000
    115      -0.1393      0.00000
    116       0.1111      0.00000
    117       0.2407      0.00000
    118       0.3777      0.00000
    119       0.6518      0.00000
    120       0.8359      0.00000
    121       0.9366      0.00000
    122       1.0639      0.00000
    123       1.2335      0.00000
    124       1.4481      0.00000
    125       1.5511      0.00000
    126       1.7664      0.00000
    127       1.7931      0.00000
    128       1.8727      0.00000
    129       1.9700      0.00000
    130       2.0438      0.00000
    131       2.1766      0.00000
    132       2.1926      0.00000
    133       2.4108      0.00000
    134       2.4567      0.00000
    135       2.5278      0.00000
    136       2.6043      0.00000
    137       2.6374      0.00000
    138       2.6959      0.00000
    139       2.7779      0.00000
    140       2.8346      0.00000
    141       2.9497      0.00000
    142       3.0832      0.00000
    143       3.2017      0.00000
    144       3.2072      0.00000
    145       3.2555      0.00000
    146       3.3250      0.00000
    147       3.3291      0.00000
    148       3.4666      0.00000
    149       3.5002      0.00000
    150       3.6981      0.00000
    151       3.7111      0.00000
    152       3.7261      0.00000
    153       3.8580      0.00000
    154       3.9121      0.00000
    155       3.9464      0.00000
    156       3.9807      0.00000
    157       4.0129      0.00000
    158       4.0341      0.00000
    159       4.0500      0.00000
    160       4.0664      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2119      1.00000
      2     -22.1189      1.00000
      3     -21.9582      1.00000
      4     -21.4057      1.00000
      5     -21.0510      1.00000
      6     -21.0151      1.00000
      7     -20.5019      1.00000
      8     -20.4624      1.00000
      9     -20.2961      1.00000
     10     -20.2768      1.00000
     11     -19.9587      1.00000
     12     -19.8930      1.00000
     13     -18.8835      1.00000
     14     -18.8148      1.00000
     15     -18.3538      1.00000
     16     -18.3076      1.00000
     17     -18.1540      1.00000
     18     -18.1368      1.00000
     19     -17.8276      1.00000
     20     -17.7901      1.00000
     21     -17.2525      1.00000
     22     -17.2425      1.00000
     23     -17.1655      1.00000
     24     -17.1337      1.00000
     25     -16.1110      1.00000
     26     -15.8865      1.00000
     27     -15.8711      1.00000
     28     -15.8350      1.00000
     29     -15.2371      1.00000
     30     -14.5559      1.00000
     31     -14.5280      1.00000
     32     -14.2808      1.00000
     33     -13.9644      1.00000
     34     -13.9569      1.00000
     35     -13.8209      1.00000
     36     -13.8051      1.00000
     37     -13.6154      1.00000
     38     -13.5716      1.00000
     39     -13.3710      1.00000
     40     -12.6354      1.00000
     41     -12.1816      1.00000
     42     -12.1336      1.00000
     43     -12.0730      1.00000
     44     -12.0207      1.00000
     45     -11.6701      1.00000
     46     -11.6566      1.00000
     47     -11.1395      1.00000
     48     -11.1189      1.00000
     49     -10.7954      1.00000
     50     -10.7318      1.00000
     51     -10.5294      1.00000
     52     -10.2091      1.00000
     53     -10.2064      1.00000
     54     -10.1654      1.00000
     55     -10.0184      1.00000
     56     -10.0049      1.00000
     57      -9.9913      1.00000
     58      -9.8018      1.00000
     59      -9.7980      1.00000
     60      -9.7627      1.00000
     61      -9.7579      1.00000
     62      -9.4552      1.00000
     63      -9.4180      1.00000
     64      -9.0810      1.00000
     65      -9.0729      1.00000
     66      -9.0413      1.00000
     67      -8.9558      1.00000
     68      -8.8778      1.00000
     69      -8.7126      1.00000
     70      -8.7003      1.00000
     71      -8.5664      1.00000
     72      -8.5435      1.00000
     73      -8.4998      1.00000
     74      -8.4630      1.00000
     75      -8.4538      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0438      1.00000
     79      -7.9160      1.00000
     80      -7.8635      1.00000
     81      -7.6151      1.00000
     82      -7.5489      1.00000
     83      -7.4902      1.00000
     84      -7.2680      1.00000
     85      -6.9954      1.00000
     86      -6.9233      1.00000
     87      -6.8822      1.00000
     88      -6.5327      1.00000
     89      -6.4874      1.00000
     90      -6.4615      1.00000
     91      -6.4104      1.00000
     92      -5.9841      1.00000
     93      -5.8976      1.00000
     94      -5.7847      1.00000
     95      -5.7598      1.00000
     96      -5.4322      1.00000
     97      -5.3294      1.00000
     98      -5.2304      1.00000
     99      -5.2178      1.00000
    100      -5.1885      1.00000
    101      -4.6922      1.00000
    102      -4.4215      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5291      1.00000
    106      -3.2742      1.00000
    107      -2.5312      0.00000
    108      -1.4581      0.00000
    109      -1.2666      0.00000
    110      -1.2029      0.00000
    111      -1.1725      0.00000
    112      -0.7196      0.00000
    113      -0.5034      0.00000
    114      -0.4119      0.00000
    115      -0.3395      0.00000
    116      -0.1459      0.00000
    117      -0.0028      0.00000
    118       0.1939      0.00000
    119       0.5613      0.00000
    120       0.6126      0.00000
    121       0.7963      0.00000
    122       0.9070      0.00000
    123       1.1326      0.00000
    124       1.4939      0.00000
    125       1.6349      0.00000
    126       1.8538      0.00000
    127       1.9273      0.00000
    128       2.1058      0.00000
    129       2.1161      0.00000
    130       2.1485      0.00000
    131       2.1863      0.00000
    132       2.2799      0.00000
    133       2.3377      0.00000
    134       2.4676      0.00000
    135       2.5802      0.00000
    136       2.6578      0.00000
    137       2.8548      0.00000
    138       2.8716      0.00000
    139       2.8938      0.00000
    140       3.0170      0.00000
    141       3.0253      0.00000
    142       3.1406      0.00000
    143       3.1796      0.00000
    144       3.2332      0.00000
    145       3.2740      0.00000
    146       3.2846      0.00000
    147       3.3006      0.00000
    148       3.3469      0.00000
    149       3.4235      0.00000
    150       3.4442      0.00000
    151       3.5526      0.00000
    152       3.6226      0.00000
    153       3.7051      0.00000
    154       3.7293      0.00000
    155       3.7732      0.00000
    156       3.8948      0.00000
    157       3.9406      0.00000
    158       4.0055      0.00000
    159       4.1322      0.00000
    160       4.2240      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3187      1.00000
      2     -21.9657      1.00000
      3     -21.8935      1.00000
      4     -21.3859      1.00000
      5     -21.3494      1.00000
      6     -20.8407      1.00000
      7     -20.7743      1.00000
      8     -20.6262      1.00000
      9     -20.0907      1.00000
     10     -20.0619      1.00000
     11     -19.7195      1.00000
     12     -19.6907      1.00000
     13     -19.0108      1.00000
     14     -18.9797      1.00000
     15     -18.6507      1.00000
     16     -18.6179      1.00000
     17     -18.4616      1.00000
     18     -17.6613      1.00000
     19     -17.6476      1.00000
     20     -17.6114      1.00000
     21     -17.5789      1.00000
     22     -17.1380      1.00000
     23     -17.0981      1.00000
     24     -16.9664      1.00000
     25     -16.0087      1.00000
     26     -15.9239      1.00000
     27     -15.5998      1.00000
     28     -15.5762      1.00000
     29     -15.2803      1.00000
     30     -14.8774      1.00000
     31     -14.8304      1.00000
     32     -14.5753      1.00000
     33     -14.5375      1.00000
     34     -14.1644      1.00000
     35     -14.1603      1.00000
     36     -13.1627      1.00000
     37     -13.0969      1.00000
     38     -13.0238      1.00000
     39     -13.0190      1.00000
     40     -12.7185      1.00000
     41     -12.6952      1.00000
     42     -12.3414      1.00000
     43     -12.3142      1.00000
     44     -11.6318      1.00000
     45     -11.6226      1.00000
     46     -11.5707      1.00000
     47     -10.9412      1.00000
     48     -10.9234      1.00000
     49     -10.6695      1.00000
     50     -10.5901      1.00000
     51     -10.5736      1.00000
     52     -10.5011      1.00000
     53     -10.4897      1.00000
     54     -10.4394      1.00000
     55     -10.3568      1.00000
     56     -10.1044      1.00000
     57      -9.8985      1.00000
     58      -9.6092      1.00000
     59      -9.5520      1.00000
     60      -9.4548      1.00000
     61      -9.4181      1.00000
     62      -9.4099      1.00000
     63      -9.3799      1.00000
     64      -9.3728      1.00000
     65      -9.2681      1.00000
     66      -9.1653      1.00000
     67      -9.1413      1.00000
     68      -9.1159      1.00000
     69      -8.8663      1.00000
     70      -8.8602      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1932      1.00000
     75      -8.1706      1.00000
     76      -8.0761      1.00000
     77      -7.8580      1.00000
     78      -7.8372      1.00000
     79      -7.8242      1.00000
     80      -7.7106      1.00000
     81      -7.6962      1.00000
     82      -7.5977      1.00000
     83      -7.5301      1.00000
     84      -7.3507      1.00000
     85      -7.1679      1.00000
     86      -6.9052      1.00000
     87      -6.8959      1.00000
     88      -6.5928      1.00000
     89      -6.5516      1.00000
     90      -6.4062      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2010      1.00000
     94      -6.0042      1.00000
     95      -5.5320      1.00000
     96      -5.4654      1.00000
     97      -5.3143      1.00000
     98      -5.2097      1.00000
     99      -5.0470      1.00000
    100      -4.7236      1.00000
    101      -4.6716      1.00000
    102      -4.4239      1.00000
    103      -4.1948      1.00000
    104      -3.8428      1.00000
    105      -3.6345      1.00000
    106      -3.4163      1.00000
    107      -2.2925      0.00000
    108      -1.5093      0.00000
    109      -1.2700      0.00000
    110      -1.2623      0.00000
    111      -1.0343      0.00000
    112      -0.9778      0.00000
    113      -0.8681      0.00000
    114      -0.7998      0.00000
    115      -0.2616      0.00000
    116       0.2044      0.00000
    117       0.2396      0.00000
    118       0.3600      0.00000
    119       0.6910      0.00000
    120       0.8942      0.00000
    121       0.9239      0.00000
    122       1.0406      0.00000
    123       1.1670      0.00000
    124       1.5099      0.00000
    125       1.5599      0.00000
    126       1.7108      0.00000
    127       1.7788      0.00000
    128       1.8333      0.00000
    129       1.9622      0.00000
    130       1.9852      0.00000
    131       2.1830      0.00000
    132       2.2624      0.00000
    133       2.4158      0.00000
    134       2.4631      0.00000
    135       2.5254      0.00000
    136       2.6007      0.00000
    137       2.6188      0.00000
    138       2.6993      0.00000
    139       2.7576      0.00000
    140       2.8636      0.00000
    141       3.0363      0.00000
    142       3.0814      0.00000
    143       3.1887      0.00000
    144       3.2440      0.00000
    145       3.2570      0.00000
    146       3.2971      0.00000
    147       3.3552      0.00000
    148       3.4517      0.00000
    149       3.5207      0.00000
    150       3.6920      0.00000
    151       3.7173      0.00000
    152       3.7474      0.00000
    153       3.8306      0.00000
    154       3.8902      0.00000
    155       3.9329      0.00000
    156       3.9791      0.00000
    157       4.0088      0.00000
    158       4.0390      0.00000
    159       4.0464      0.00000
    160       4.0833      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8320      1.00000
      3     -21.6427      1.00000
      4     -21.6077      1.00000
      5     -21.2800      1.00000
      6     -21.2330      1.00000
      7     -21.0577      1.00000
      8     -20.1726      1.00000
      9     -20.1264      1.00000
     10     -19.6179      1.00000
     11     -19.5917      1.00000
     12     -19.4167      1.00000
     13     -19.0956      1.00000
     14     -19.0569      1.00000
     15     -19.0525      1.00000
     16     -19.0397      1.00000
     17     -18.3676      1.00000
     18     -18.3478      1.00000
     19     -18.0175      1.00000
     20     -17.0731      1.00000
     21     -17.0243      1.00000
     22     -16.9503      1.00000
     23     -16.9364      1.00000
     24     -16.4753      1.00000
     25     -16.4634      1.00000
     26     -15.6101      1.00000
     27     -15.6096      1.00000
     28     -15.2505      1.00000
     29     -15.2384      1.00000
     30     -15.1923      1.00000
     31     -15.1022      1.00000
     32     -15.0692      1.00000
     33     -14.6988      1.00000
     34     -14.6978      1.00000
     35     -13.7254      1.00000
     36     -13.7253      1.00000
     37     -13.2359      1.00000
     38     -12.6247      1.00000
     39     -12.5805      1.00000
     40     -12.4555      1.00000
     41     -12.4501      1.00000
     42     -12.1053      1.00000
     43     -12.1003      1.00000
     44     -11.7219      1.00000
     45     -11.6833      1.00000
     46     -11.2456      1.00000
     47     -11.2249      1.00000
     48     -11.0182      1.00000
     49     -11.0065      1.00000
     50     -10.9280      1.00000
     51     -10.8994      1.00000
     52     -10.6377      1.00000
     53     -10.1729      1.00000
     54     -10.1499      1.00000
     55     -10.0852      1.00000
     56      -9.9927      1.00000
     57      -9.6966      1.00000
     58      -9.6901      1.00000
     59      -9.6710      1.00000
     60      -9.5915      1.00000
     61      -9.5675      1.00000
     62      -9.5543      1.00000
     63      -9.3132      1.00000
     64      -9.3005      1.00000
     65      -9.2837      1.00000
     66      -9.2430      1.00000
     67      -9.1227      1.00000
     68      -9.1130      1.00000
     69      -9.1113      1.00000
     70      -8.9401      1.00000
     71      -8.8753      1.00000
     72      -8.6049      1.00000
     73      -8.5862      1.00000
     74      -8.2712      1.00000
     75      -8.1016      1.00000
     76      -7.8675      1.00000
     77      -7.8440      1.00000
     78      -7.7907      1.00000
     79      -7.7650      1.00000
     80      -7.7560      1.00000
     81      -7.4473      1.00000
     82      -7.3350      1.00000
     83      -7.3235      1.00000
     84      -7.2664      1.00000
     85      -7.1628      1.00000
     86      -7.0148      1.00000
     87      -6.9867      1.00000
     88      -6.7179      1.00000
     89      -6.6908      1.00000
     90      -6.6319      1.00000
     91      -6.5907      1.00000
     92      -6.1179      1.00000
     93      -6.0590      1.00000
     94      -6.0448      1.00000
     95      -6.0286      1.00000
     96      -5.7481      1.00000
     97      -4.9748      1.00000
     98      -4.8397      1.00000
     99      -4.7091      1.00000
    100      -4.6735      1.00000
    101      -4.4837      1.00000
    102      -4.3523      1.00000
    103      -4.1119      1.00000
    104      -4.0556      1.00000
    105      -3.7550      1.00000
    106      -3.4654      1.00000
    107      -1.9506      0.00000
    108      -1.7711      0.00000
    109      -1.4798      0.00000
    110      -1.3555      0.00000
    111      -1.3359      0.00000
    112      -1.2926      0.00000
    113      -0.6785      0.00000
    114      -0.4719      0.00000
    115      -0.2354      0.00000
    116       0.0516      0.00000
    117       0.5876      0.00000
    118       0.6924      0.00000
    119       0.7701      0.00000
    120       1.0228      0.00000
    121       1.0970      0.00000
    122       1.1767      0.00000
    123       1.2501      0.00000
    124       1.3348      0.00000
    125       1.4337      0.00000
    126       1.5996      0.00000
    127       1.7619      0.00000
    128       1.8428      0.00000
    129       1.8598      0.00000
    130       1.8877      0.00000
    131       2.0446      0.00000
    132       2.2174      0.00000
    133       2.2329      0.00000
    134       2.2862      0.00000
    135       2.4798      0.00000
    136       2.6178      0.00000
    137       2.6404      0.00000
    138       2.7532      0.00000
    139       2.7937      0.00000
    140       2.8363      0.00000
    141       2.8478      0.00000
    142       2.8685      0.00000
    143       2.9450      0.00000
    144       3.0858      0.00000
    145       3.3141      0.00000
    146       3.3544      0.00000
    147       3.4048      0.00000
    148       3.4174      0.00000
    149       3.4229      0.00000
    150       3.6010      0.00000
    151       3.6480      0.00000
    152       3.6761      0.00000
    153       3.7306      0.00000
    154       3.8955      0.00000
    155       3.9245      0.00000
    156       3.9551      0.00000
    157       4.1064      0.00000
    158       4.2054      0.00000
    159       4.2556      0.00000
    160       4.2832      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2110      1.00000
      2     -22.1202      1.00000
      3     -21.9578      1.00000
      4     -21.4058      1.00000
      5     -21.0472      1.00000
      6     -21.0189      1.00000
      7     -20.4971      1.00000
      8     -20.4672      1.00000
      9     -20.2873      1.00000
     10     -20.2853      1.00000
     11     -19.9576      1.00000
     12     -19.8945      1.00000
     13     -18.8842      1.00000
     14     -18.8166      1.00000
     15     -18.3385      1.00000
     16     -18.3195      1.00000
     17     -18.1498      1.00000
     18     -18.1424      1.00000
     19     -17.8165      1.00000
     20     -17.7985      1.00000
     21     -17.2587      1.00000
     22     -17.2391      1.00000
     23     -17.1608      1.00000
     24     -17.1360      1.00000
     25     -16.1174      1.00000
     26     -15.8812      1.00000
     27     -15.8701      1.00000
     28     -15.8409      1.00000
     29     -15.2314      1.00000
     30     -14.5513      1.00000
     31     -14.5329      1.00000
     32     -14.2760      1.00000
     33     -13.9755      1.00000
     34     -13.9519      1.00000
     35     -13.8253      1.00000
     36     -13.8030      1.00000
     37     -13.6044      1.00000
     38     -13.5792      1.00000
     39     -13.3712      1.00000
     40     -12.6396      1.00000
     41     -12.1691      1.00000
     42     -12.1428      1.00000
     43     -12.0685      1.00000
     44     -12.0217      1.00000
     45     -11.6654      1.00000
     46     -11.6608      1.00000
     47     -11.1369      1.00000
     48     -11.1258      1.00000
     49     -10.7905      1.00000
     50     -10.7344      1.00000
     51     -10.5361      1.00000
     52     -10.2089      1.00000
     53     -10.2028      1.00000
     54     -10.1711      1.00000
     55     -10.0233      1.00000
     56      -9.9948      1.00000
     57      -9.9907      1.00000
     58      -9.8055      1.00000
     59      -9.7965      1.00000
     60      -9.7649      1.00000
     61      -9.7569      1.00000
     62      -9.4544      1.00000
     63      -9.4179      1.00000
     64      -9.0852      1.00000
     65      -9.0463      1.00000
     66      -9.0260      1.00000
     67      -8.9698      1.00000
     68      -8.8982      1.00000
     69      -8.7086      1.00000
     70      -8.6994      1.00000
     71      -8.5600      1.00000
     72      -8.5493      1.00000
     73      -8.4782      1.00000
     74      -8.4598      1.00000
     75      -8.4571      1.00000
     76      -8.3087      1.00000
     77      -8.0954      1.00000
     78      -8.0896      1.00000
     79      -7.9269      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5369      1.00000
     83      -7.4437      1.00000
     84      -7.3142      1.00000
     85      -6.9941      1.00000
     86      -6.9195      1.00000
     87      -6.8824      1.00000
     88      -6.5277      1.00000
     89      -6.5149      1.00000
     90      -6.4808      1.00000
     91      -6.4207      1.00000
     92      -5.9273      1.00000
     93      -5.9054      1.00000
     94      -5.7889      1.00000
     95      -5.7751      1.00000
     96      -5.3695      1.00000
     97      -5.3632      1.00000
     98      -5.2204      1.00000
     99      -5.2155      1.00000
    100      -5.1989      1.00000
    101      -4.7204      1.00000
    102      -4.4423      1.00000
    103      -4.1909      1.00000
    104      -3.8204      1.00000
    105      -3.5655      1.00000
    106      -3.2215      1.00000
    107      -2.5626      0.00000
    108      -1.4632      0.00000
    109      -1.2673      0.00000
    110      -1.1852      0.00000
    111      -1.1837      0.00000
    112      -0.6447      0.00000
    113      -0.5514      0.00000
    114      -0.4147      0.00000
    115      -0.3474      0.00000
    116      -0.0776      0.00000
    117      -0.0633      0.00000
    118       0.1260      0.00000
    119       0.5931      0.00000
    120       0.6265      0.00000
    121       0.8552      0.00000
    122       0.9858      0.00000
    123       1.0035      0.00000
    124       1.4942      0.00000
    125       1.6839      0.00000
    126       1.7661      0.00000
    127       1.8612      0.00000
    128       2.1139      0.00000
    129       2.1428      0.00000
    130       2.1886      0.00000
    131       2.2103      0.00000
    132       2.2560      0.00000
    133       2.3524      0.00000
    134       2.4943      0.00000
    135       2.5097      0.00000
    136       2.6653      0.00000
    137       2.8526      0.00000
    138       2.8594      0.00000
    139       2.9539      0.00000
    140       3.0045      0.00000
    141       3.0398      0.00000
    142       3.1356      0.00000
    143       3.1920      0.00000
    144       3.2455      0.00000
    145       3.2512      0.00000
    146       3.2802      0.00000
    147       3.3033      0.00000
    148       3.3547      0.00000
    149       3.4190      0.00000
    150       3.5496      0.00000
    151       3.5655      0.00000
    152       3.6473      0.00000
    153       3.6625      0.00000
    154       3.7011      0.00000
    155       3.7268      0.00000
    156       3.8972      0.00000
    157       3.9604      0.00000
    158       4.0373      0.00000
    159       4.0769      0.00000
    160       4.1853      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2845      1.00000
      2     -22.0799      1.00000
      3     -21.7215      1.00000
      4     -21.6822      1.00000
      5     -20.9839      1.00000
      6     -20.9362      1.00000
      7     -20.6125      1.00000
      8     -20.5803      1.00000
      9     -20.5667      1.00000
     10     -20.0333      1.00000
     11     -19.5143      1.00000
     12     -19.4842      1.00000
     13     -19.3123      1.00000
     14     -19.2992      1.00000
     15     -18.4505      1.00000
     16     -18.4074      1.00000
     17     -17.9283      1.00000
     18     -17.9079      1.00000
     19     -17.7668      1.00000
     20     -17.7218      1.00000
     21     -17.4423      1.00000
     22     -17.4238      1.00000
     23     -17.3389      1.00000
     24     -16.4714      1.00000
     25     -16.4612      1.00000
     26     -15.9714      1.00000
     27     -15.4115      1.00000
     28     -15.4105      1.00000
     29     -15.0964      1.00000
     30     -15.0934      1.00000
     31     -14.8536      1.00000
     32     -14.8412      1.00000
     33     -14.2984      1.00000
     34     -14.2547      1.00000
     35     -13.4448      1.00000
     36     -13.4010      1.00000
     37     -13.1755      1.00000
     38     -13.1741      1.00000
     39     -12.9864      1.00000
     40     -12.9775      1.00000
     41     -12.6110      1.00000
     42     -12.6089      1.00000
     43     -12.1973      1.00000
     44     -11.5798      1.00000
     45     -11.5387      1.00000
     46     -11.3137      1.00000
     47     -11.2834      1.00000
     48     -11.1425      1.00000
     49     -10.6926      1.00000
     50     -10.6632      1.00000
     51     -10.5475      1.00000
     52     -10.3228      1.00000
     53     -10.3151      1.00000
     54     -10.1762      1.00000
     55     -10.1214      1.00000
     56     -10.1082      1.00000
     57      -9.8120      1.00000
     58      -9.7530      1.00000
     59      -9.7525      1.00000
     60      -9.7026      1.00000
     61      -9.6988      1.00000
     62      -9.6473      1.00000
     63      -9.3530      1.00000
     64      -9.3516      1.00000
     65      -9.3180      1.00000
     66      -9.0282      1.00000
     67      -8.9619      1.00000
     68      -8.9581      1.00000
     69      -8.7758      1.00000
     70      -8.5917      1.00000
     71      -8.5886      1.00000
     72      -8.4241      1.00000
     73      -8.3500      1.00000
     74      -8.3226      1.00000
     75      -8.3024      1.00000
     76      -8.2658      1.00000
     77      -8.2542      1.00000
     78      -8.2394      1.00000
     79      -7.9217      1.00000
     80      -7.7341      1.00000
     81      -7.3799      1.00000
     82      -7.3503      1.00000
     83      -7.3236      1.00000
     84      -7.2175      1.00000
     85      -7.1605      1.00000
     86      -7.0654      1.00000
     87      -6.9610      1.00000
     88      -6.9054      1.00000
     89      -6.6133      1.00000
     90      -6.5568      1.00000
     91      -6.2709      1.00000
     92      -5.9968      1.00000
     93      -5.9596      1.00000
     94      -5.6754      1.00000
     95      -5.6488      1.00000
     96      -5.3875      1.00000
     97      -5.3152      1.00000
     98      -5.2941      1.00000
     99      -5.2121      1.00000
    100      -5.2005      1.00000
    101      -4.5115      1.00000
    102      -4.3388      1.00000
    103      -3.9965      1.00000
    104      -3.8860      1.00000
    105      -3.7929      1.00000
    106      -3.4433      1.00000
    107      -2.0345      0.00000
    108      -1.8634      0.00000
    109      -1.2176      0.00000
    110      -1.1842      0.00000
    111      -1.0358      0.00000
    112      -0.7722      0.00000
    113      -0.6773      0.00000
    114      -0.6599      0.00000
    115      -0.6096      0.00000
    116      -0.1017      0.00000
    117       0.2226      0.00000
    118       0.2397      0.00000
    119       0.7698      0.00000
    120       0.9840      0.00000
    121       1.0739      0.00000
    122       1.2415      0.00000
    123       1.2511      0.00000
    124       1.3410      0.00000
    125       1.5785      0.00000
    126       1.5852      0.00000
    127       1.7024      0.00000
    128       1.7973      0.00000
    129       1.9466      0.00000
    130       1.9619      0.00000
    131       2.0822      0.00000
    132       2.2923      0.00000
    133       2.3419      0.00000
    134       2.4164      0.00000
    135       2.5434      0.00000
    136       2.6286      0.00000
    137       2.7638      0.00000
    138       2.8272      0.00000
    139       2.8435      0.00000
    140       2.8665      0.00000
    141       3.0460      0.00000
    142       3.1003      0.00000
    143       3.1528      0.00000
    144       3.2209      0.00000
    145       3.3743      0.00000
    146       3.4136      0.00000
    147       3.5042      0.00000
    148       3.5498      0.00000
    149       3.5905      0.00000
    150       3.6103      0.00000
    151       3.6476      0.00000
    152       3.7354      0.00000
    153       3.7448      0.00000
    154       3.7761      0.00000
    155       3.8140      0.00000
    156       3.8759      0.00000
    157       4.0205      0.00000
    158       4.0865      0.00000
    159       4.1690      0.00000
    160       4.2115      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0417   -7.3901    4.1982   -1.2758   -0.2386   17.5938    0.1473   -0.5324    0.6338   -0.4648
x    -3.0926   -0.0374   -0.0631    0.0616   -0.0091   -2.9773   -0.0109   -0.0070    0.0049    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0417    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0940   -0.0087    0.0374    0.0377
y    -0.0458   -3.2478   -0.5380   -0.1636   -1.1810   -0.6054
z   204.0417    1.1260   -0.2804    0.0408    0.0090    0.0616    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0777    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1654
z    -0.2831    0.1873   -0.0390    0.0470   -0.1050    0.0013
 total charge-density along one line
x   212.0000  -10.2204    6.1463   -2.0858   -0.4744   19.5111   -0.9959    0.4742   -0.0449   -0.1261
x    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2204    6.1463   -2.0858   -0.4744   19.5112   -0.9959    0.4742   -0.0449   -0.1261
y    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4925  189.2923 -170.3678  153.6507 -139.4373  125.4335 -110.1198   93.9731  -78.3592
z    64.1499  -51.4976   40.4325  -31.2272   24.1310  -18.9484   15.0350  -11.7219    8.7173   -6.1226
z     4.1323   -2.7605    1.8231   -1.1123    0.5408   -0.1279   -0.1105    0.2273   -0.3090    0.4000
z    -0.4767    0.4932   -0.4398    0.3547   -0.2860    0.2512   -0.2335    0.2088   -0.1709    0.1317
z    -0.1037    0.0880   -0.0768    0.0637   -0.0490    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0074    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.030   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.585  -0.238   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.368  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.263   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.261   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.649
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.781   0.000   2.640
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.783   0.000   2.647
 28        0.864   1.785   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.785   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.646
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.860   1.781   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.649
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.870  89.435   8.029 142.333
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  114.38: CPU time   57.65
    FORLOC:  VPU time    1.23: CPU time    1.23
    FORNL :  VPU time  440.93: CPU time  221.08
    STRESS:  VPU time 1352.56: CPU time  681.41
    FORCOR:  VPU time    8.74: CPU time    8.75
    FORHAR:  VPU time    2.32: CPU time    2.31
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force =-0.8430314E-08[-0.840E-08,-0.846E-08]  d Energy = 0.4150024E-07-0.499E-07
 d Force =-0.4989320E-03[-0.499E-03,-0.499E-03]  d Ewald  = 0.4431029E-02-0.493E-02


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726418 eV

  energy  without entropy=     -471.726418  energy(sigma->0) =     -471.726418
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40850.02  40804.53 -47548.84    -39.40      0.00      0.00
  Hartree  40274.04  40254.95 -39532.79    -16.53      0.00      0.00
  E(xc)     -779.46   -779.75   -807.39     -0.25      0.00      0.00
  Local   -83408.04 -83352.48  84396.37     48.12      0.00      0.00
  n-local   -216.85   -215.73   -203.41      0.70      0.00      0.00
  augment     20.05     22.04     17.81      1.73      0.00      0.00
  Kinetic   3162.58   3176.29   3584.10      3.52      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.00      0.05     -0.22      0.04      0.00      0.00
  in kB        0.00      0.03     -0.13      0.02      0.00      0.00
  external pressure =       -0.03 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345139353  0.000689886  0.000000000     0.081000928  0.046759940  0.000000000
    -6.171978859 10.691545314  0.000000000    -0.000005227  0.093528832  0.000000000
     0.000000000  0.000000000 19.986395612     0.000000000  0.000000000  0.050034034

  length of vectors
    12.345139372 12.345139297 19.986395612     0.093528831  0.093528832  0.050034034


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.477E-05 -.490E-04 -.951E+03   0.448E-05 -.278E-04 0.960E+03   0.509E-20 -.169E-20 -.869E+01   -.484E-10 0.695E-10 -.132E-03
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   0.394E-06 -.972E-06 -.885E-05
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   -.394E-06 0.972E-06 -.885E-05
   -.206E+01 0.119E+01 0.163E+02   0.206E+01 -.119E+01 -.162E+02   -.327E-02 0.189E-02 -.242E-01   0.152E-05 -.386E-05 0.694E-05
   0.616E+01 0.684E+01 0.194E+02   -.616E+01 -.686E+01 -.193E+02   0.844E-03 0.215E-01 -.272E-01   -.357E-05 0.400E-05 0.725E-05
   0.112E+02 0.510E+01 0.162E+02   -.112E+02 -.510E+01 -.161E+02   0.202E-01 0.844E-02 -.479E-01   -.832E-06 -.210E-06 0.844E-05
   0.471E+01 -.883E+00 0.126E+02   -.473E+01 0.892E+00 -.126E+02   0.146E-01 -.735E-02 -.175E-01   -.217E-05 -.295E-05 0.849E-05
   -.308E+01 -.252E+01 0.126E+02   0.308E+01 0.252E+01 -.126E+02   -.140E-02 0.273E-02 -.130E-01   0.895E-06 -.631E-05 0.745E-05
   0.645E+00 0.393E+01 0.126E+02   -.646E+00 -.393E+01 -.126E+02   -.307E-02 -.154E-03 -.130E-01   0.374E-06 -.381E-05 0.417E-05
   0.242E+01 0.189E+02 0.240E+02   -.242E+01 -.190E+02 -.240E+02   -.233E-02 0.103E+00 -.486E-01   -.315E-05 -.726E-05 0.502E-05
   0.226E+02 0.214E+02 0.423E+02   -.227E+02 -.216E+02 -.422E+02   0.771E-01 0.262E+00 -.607E-01   0.178E-05 -.329E-05 0.499E-05
   0.268E+02 -.343E+01 0.256E+02   -.271E+02 0.355E+01 -.256E+02   0.269E+00 -.109E+00 -.338E-01   -.812E-05 -.240E-05 0.725E-05
   0.914E+01 -.527E+01 0.136E+02   -.918E+01 0.530E+01 -.136E+02   0.422E-01 -.244E-01 -.121E-01   -.521E-05 -.341E-05 0.634E-05
   0.312E+01 -.364E+01 0.126E+02   -.314E+01 0.365E+01 -.126E+02   0.137E-01 -.899E-02 -.175E-01   -.774E-06 -.930E-06 0.919E-06
   -.593E+01 0.136E+02 0.161E+02   0.593E+01 -.137E+02 -.161E+02   -.114E-02 0.715E-01 -.520E-01   0.128E-05 0.718E-06 0.235E-05
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.315E-01 0.613E+00 0.294E+00   -.865E-07 -.125E-05 -.583E-06
   0.236E+02 -.136E+02 0.940E+02   -.243E+02 0.140E+02 -.961E+02   0.636E+00 -.367E+00 0.205E+01   -.263E-05 -.115E-05 -.388E-06
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.229E+00 -.178E+00 -.338E-01   -.426E-05 0.480E-06 0.289E-05
   0.119E+01 -.122E+02 0.162E+02   -.119E+01 0.123E+02 -.161E+02   0.280E-02 -.217E-01 -.479E-01   0.298E-05 -.306E-06 0.349E-05
   -.414E+01 0.192E+01 0.116E+02   0.414E+01 -.193E+01 -.116E+02   -.267E-03 0.997E-02 -.439E-01   0.362E-05 0.616E-06 0.329E-05
   -.193E+02 0.111E+02 0.217E+02   0.193E+02 -.112E+02 -.217E+02   -.506E-01 0.292E-01 -.433E-01   0.265E-05 0.223E-05 0.660E-05
   -.373E+02 -.785E+01 0.478E+02   0.378E+02 0.813E+01 -.481E+02   -.546E+00 -.279E+00 0.294E+00   0.435E-05 -.254E-07 0.222E-05
   -.718E+01 -.303E+02 0.423E+02   0.736E+01 0.305E+02 -.422E+02   -.188E+00 -.198E+00 -.607E-01   0.699E-05 -.443E-05 0.328E-05
   -.285E+01 -.876E+01 0.194E+02   0.286E+01 0.877E+01 -.193E+02   -.182E-01 -.115E-01 -.272E-01   -.341E-05 -.823E-06 0.659E-05
   0.139E+01 -.801E+00 0.134E+02   -.139E+01 0.803E+00 -.134E+02   0.124E-03 -.715E-04 -.179E-01   0.277E-05 0.534E-06 0.626E-05
   -.374E+01 0.263E+01 0.116E+02   0.374E+01 -.262E+01 -.116E+02   -.876E-02 -.475E-02 -.439E-01   0.314E-05 0.136E-05 0.758E-05
   -.148E+02 -.169E+01 0.161E+02   0.148E+02 0.172E+01 -.161E+02   -.625E-01 -.347E-01 -.520E-01   0.188E-05 -.298E-05 0.926E-05
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.905E-01 -.496E-01 -.486E-01   0.656E-05 0.104E-05 0.762E-05
   0.285E+01 0.876E+01 0.194E+02   -.286E+01 -.877E+01 -.193E+02   0.182E-01 0.115E-01 -.272E-01   0.341E-05 0.823E-06 0.659E-05
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.905E-01 0.496E-01 -.486E-01   -.656E-05 -.104E-05 0.762E-05
   0.148E+02 0.169E+01 0.161E+02   -.148E+02 -.172E+01 -.161E+02   0.625E-01 0.347E-01 -.520E-01   -.188E-05 0.298E-05 0.926E-05
   0.374E+01 -.262E+01 0.116E+02   -.374E+01 0.262E+01 -.116E+02   0.876E-02 0.475E-02 -.439E-01   -.314E-05 -.136E-05 0.758E-05
   -.139E+01 0.801E+00 0.134E+02   0.139E+01 -.803E+00 -.134E+02   -.124E-03 0.715E-04 -.179E-01   -.277E-05 -.534E-06 0.626E-05
   -.119E+01 0.122E+02 0.162E+02   0.119E+01 -.123E+02 -.161E+02   -.280E-02 0.217E-01 -.479E-01   -.298E-05 0.306E-06 0.349E-05
   0.718E+01 0.303E+02 0.423E+02   -.736E+01 -.305E+02 -.422E+02   0.188E+00 0.198E+00 -.607E-01   -.699E-05 0.443E-05 0.328E-05
   0.373E+02 0.785E+01 0.478E+02   -.378E+02 -.813E+01 -.481E+02   0.546E+00 0.279E+00 0.294E+00   -.435E-05 0.252E-07 0.222E-05
   0.193E+02 -.111E+02 0.217E+02   -.193E+02 0.112E+02 -.217E+02   0.506E-01 -.292E-01 -.433E-01   -.265E-05 -.223E-05 0.660E-05
   0.414E+01 -.192E+01 0.116E+02   -.414E+01 0.193E+01 -.116E+02   0.267E-03 -.997E-02 -.439E-01   -.362E-05 -.616E-06 0.329E-05
   -.312E+01 0.364E+01 0.126E+02   0.314E+01 -.365E+01 -.126E+02   -.137E-01 0.899E-02 -.175E-01   0.774E-06 0.930E-06 0.919E-06
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.229E+00 0.178E+00 -.338E-01   0.426E-05 -.480E-06 0.289E-05
   -.236E+02 0.136E+02 0.940E+02   0.243E+02 -.140E+02 -.961E+02   -.636E+00 0.367E+00 0.205E+01   0.263E-05 0.115E-05 -.388E-06
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.315E-01 -.613E+00 0.294E+00   0.866E-07 0.125E-05 -.583E-06
   0.593E+01 -.136E+02 0.161E+02   -.593E+01 0.137E+02 -.161E+02   0.114E-02 -.715E-01 -.520E-01   -.128E-05 -.718E-06 0.235E-05
   -.645E+00 -.393E+01 0.126E+02   0.646E+00 0.393E+01 -.126E+02   0.307E-02 0.154E-03 -.130E-01   -.373E-06 0.380E-05 0.418E-05
   -.914E+01 0.527E+01 0.136E+02   0.918E+01 -.530E+01 -.136E+02   -.422E-01 0.244E-01 -.121E-01   0.521E-05 0.341E-05 0.634E-05
   -.268E+02 0.343E+01 0.256E+02   0.271E+02 -.355E+01 -.256E+02   -.269E+00 0.109E+00 -.338E-01   0.812E-05 0.240E-05 0.725E-05
   -.226E+02 -.214E+02 0.423E+02   0.227E+02 0.216E+02 -.422E+02   -.771E-01 -.262E+00 -.607E-01   -.178E-05 0.329E-05 0.499E-05
   -.242E+01 -.189E+02 0.240E+02   0.242E+01 0.190E+02 -.240E+02   0.233E-02 -.103E+00 -.486E-01   0.315E-05 0.726E-05 0.502E-05
   0.206E+01 -.119E+01 0.163E+02   -.206E+01 0.119E+01 -.162E+02   0.327E-02 -.189E-02 -.242E-01   -.152E-05 0.386E-05 0.694E-05
   0.308E+01 0.252E+01 0.126E+02   -.308E+01 -.252E+01 -.126E+02   0.140E-02 -.273E-02 -.130E-01   -.895E-06 0.631E-05 0.745E-05
   -.471E+01 0.883E+00 0.126E+02   0.473E+01 -.892E+00 -.126E+02   -.146E-01 0.735E-02 -.175E-01   0.217E-05 0.295E-05 0.849E-05
   -.112E+02 -.510E+01 0.162E+02   0.112E+02 0.510E+01 -.161E+02   -.202E-01 -.844E-02 -.479E-01   0.832E-06 0.210E-06 0.844E-05
   -.616E+01 -.684E+01 0.194E+02   0.616E+01 0.686E+01 -.193E+02   -.844E-03 -.215E-01 -.272E-01   0.357E-05 -.400E-05 0.725E-05
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.289E-03 0.101E+02   0.234E-12 -.112E-12 -.249E-12   -.189E-15 0.798E-16 -.100E+02   0.100E-09 -.269E-10 0.106E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85211      6.05884     12.26471         0.000000      0.000000      0.019175
      1.07497      6.50752     13.52421         0.001551     -0.000895      0.008858
      2.62924      5.61016     13.52421        -0.001551      0.000895      0.008858
      0.00015     -0.00009      9.91082        -0.002291      0.001323      0.000102
     -1.23474      2.13683      9.90948        -0.000405      0.001547      0.000052
     -2.46994      4.27634      9.92946        -0.002697      0.002255     -0.000364
     -3.70363      6.41501      9.93717        -0.002031      0.001458     -0.000857
     -4.93735      8.55322      9.92774        -0.004142      0.002117     -0.000484
      2.46916     -0.00006      9.92774        -0.003904      0.002528     -0.000484
      1.23392      2.13662      9.91901        -0.003395      0.001399     -0.001215
     -0.00265      4.27071      9.93152        -0.003659      0.003438     -0.002359
     -1.23832      6.41562      9.95362        -0.000256      0.001293     -0.001112
     -2.46890      8.55357      9.93904        -0.001094      0.000632      0.000608
      4.93776      0.00062      9.93717        -0.002278      0.001030     -0.000857
      3.70409      2.13669      9.94047        -0.001510     -0.000558     -0.001270
      2.46985      4.26841      9.96807        -0.003476      0.000964     -0.002332
      1.22909      6.41854      9.97430        -0.004662      0.002691      0.001550
     -0.00209      8.55684      9.95362        -0.001248     -0.000425     -0.001112
      7.40675      0.00155      9.92946        -0.003302      0.001208     -0.000364
      6.17243      2.13877      9.93579        -0.002976      0.001749     -0.000533
      4.93890      4.27668      9.94852         0.000473     -0.000273     -0.000056
      3.71153      6.41908      9.96807        -0.002573      0.002528     -0.002332
      2.47330      8.55917      9.93152        -0.004807      0.001450     -0.002359
      9.87722      0.00159      9.90948        -0.001542     -0.000423      0.000052
      8.64160      2.13893      9.92067        -0.003156      0.001822      0.000300
      7.40715      4.27737      9.93579        -0.003002      0.001703     -0.000533
      6.17478      6.41605      9.94047        -0.000272      0.001587     -0.001270
      4.93975      8.55531      9.91901        -0.002909      0.002241     -0.001215
     -0.00103      1.42455      9.90948         0.001542      0.000423      0.000052
     -1.23554      3.56237      9.91901         0.002909     -0.002241     -0.001215
     -2.47057      5.70163      9.94047         0.000272     -0.001587     -0.001270
     -3.70294      7.84032      9.93579         0.003002     -0.001703     -0.000533
     -4.93739      9.97876      9.92067         0.003156     -0.001822      0.000300
      2.46945      1.42459      9.92946         0.003302     -0.001208     -0.000364
      1.23091      3.55851      9.93152         0.004807     -0.001450     -0.002359
     -0.00732      5.69860      9.96807         0.002573     -0.002528     -0.002332
     -1.23469      7.84100      9.94852        -0.000473      0.000273     -0.000056
     -2.46822      9.97891      9.93579         0.002976     -0.001749     -0.000533
      4.93843      1.42552      9.93717         0.002278     -0.001030     -0.000857
      3.70630      3.56084      9.95362         0.001248      0.000425     -0.001112
      2.47512      5.69914      9.97430         0.004662     -0.002691      0.001550
      1.23437      7.84927      9.96807         0.003476     -0.000964     -0.002332
      0.00012      9.98099      9.94047         0.001510      0.000558     -0.001270
      7.40703      1.42620      9.92774         0.003904     -0.002528     -0.000484
      6.17311      3.56411      9.93904         0.001094     -0.000632      0.000608
      4.94253      5.70206      9.95362         0.000256     -0.001293     -0.001112
      3.70686      7.84698      9.93152         0.003659     -0.003438     -0.002359
      2.47029      9.98106      9.91901         0.003395     -0.001399     -0.001215
      9.87604      1.42622      9.91082         0.002291     -0.001323      0.000102
      8.64156      3.56447      9.92774         0.004142     -0.002117     -0.000484
      7.40784      5.70267      9.93717         0.002031     -0.001458     -0.000857
      6.17415      7.84134      9.92946         0.002697     -0.002255     -0.000364
      4.93895      9.98086      9.90948         0.000405     -0.001547      0.000052
 -----------------------------------------------------------------------------------
    total drift:                               -0.001802      0.000289      0.015562


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.97: CPU time    1.97
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.36: CPU time    1.35
    ORTHCH:  VPU time  183.68: CPU time   92.17
     LOOP+:  VPU time 4855.33: CPU time 2497.02


----------------------------------------- Iteration   34(   1)  ---------------------------------------


    POTLOK:  VPU time    9.08: CPU time    9.07
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1277.46: CPU time  662.91
 BZINTS: Fermi energy: -3.185543;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.00: CPU time   57.65
    MIXING:  VPU time    0.15: CPU time    0.15
    ------------------------------------------
      LOOP:  VPU time 1401.11: CPU time  730.15

 eigenvalue-minimisations  :  3616
 total energy-change (2. order) :-0.4717264E+03  ( 0.2967394E-08)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583404 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.33751E-05    rms(broyden)= 0.33749E-05
  rms(prec ) = 0.45578E-05
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34105.72259076
  -1/2 Hartree   DENC   =    -40996.20390708
  -V(xc)+E(xc)   XCENC  =       726.60488203
  PAW double counting   =      4094.27096234    -4132.61881754
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.94198169
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641758 eV

  energy without entropy =     -471.72641758  energy(sigma->0) =     -471.72641758


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   34(   2)  ---------------------------------------


    POTLOK:  VPU time    9.06: CPU time    9.05
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 1293.10: CPU time  669.52
 BZINTS: Fermi energy: -3.185516;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1302.55: CPU time  678.94

 eigenvalue-minimisations  :  3640
 total energy-change (2. order) : 0.6972186E-08  ( 0.3039042E-08)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583404 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34105.72259076
  -1/2 Hartree   DENC   =    -40996.20314139
  -V(xc)+E(xc)   XCENC  =       726.60486979
  PAW double counting   =      4094.27096026    -4132.61881693
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.94273366
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641758 eV

  energy without entropy =     -471.72641758  energy(sigma->0) =     -471.72641758


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2180       2 -39.5363       3 -39.5363       4 -58.3139       5 -58.3178
       6 -58.3203       7 -58.3149       8 -58.3152       9 -58.3152      10 -58.3217
      11 -58.3878      12 -58.3518      13 -58.3231      14 -58.3149      15 -58.3247
      16 -58.5428      17 -58.7298      18 -58.3518      19 -58.3203      20 -58.3200
      21 -58.3579      22 -58.5428      23 -58.3878      24 -58.3178      25 -58.3230
      26 -58.3200      27 -58.3247      28 -58.3217      29 -58.3177      30 -58.3215
      31 -58.3246      32 -58.3199      33 -58.3229      34 -58.3202      35 -58.3877
      36 -58.5427      37 -58.3578      38 -58.3199      39 -58.3148      40 -58.3516
      41 -58.7297      42 -58.5427      43 -58.3246      44 -58.3151      45 -58.3230
      46 -58.3516      47 -58.3878      48 -58.3216      49 -58.3138      50 -58.3151
      51 -58.3148      52 -58.3202      53 -58.3177
 
 
 
 E-fermi :  -3.1855     XC(G=0):  -2.3429     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4276      1.00000
      2     -21.6044      1.00000
      3     -21.4827      1.00000
      4     -21.4736      1.00000
      5     -21.4420      1.00000
      6     -21.4412      1.00000
      7     -21.4311      1.00000
      8     -19.7085      1.00000
      9     -19.6536      1.00000
     10     -19.6303      1.00000
     11     -19.6193      1.00000
     12     -19.6140      1.00000
     13     -19.6130      1.00000
     14     -18.7906      1.00000
     15     -18.7555      1.00000
     16     -18.7357      1.00000
     17     -18.7262      1.00000
     18     -18.7190      1.00000
     19     -18.7137      1.00000
     20     -16.6354      1.00000
     21     -16.6096      1.00000
     22     -16.5852      1.00000
     23     -16.5818      1.00000
     24     -16.5548      1.00000
     25     -16.5531      1.00000
     26     -15.6154      1.00000
     27     -15.6027      1.00000
     28     -15.5994      1.00000
     29     -15.5653      1.00000
     30     -15.5636      1.00000
     31     -15.5626      1.00000
     32     -14.2604      1.00000
     33     -14.2511      1.00000
     34     -14.2411      1.00000
     35     -14.2361      1.00000
     36     -14.2229      1.00000
     37     -14.2200      1.00000
     38     -11.9060      1.00000
     39     -11.8791      1.00000
     40     -11.8679      1.00000
     41     -11.8658      1.00000
     42     -11.8451      1.00000
     43     -11.8449      1.00000
     44     -11.7716      1.00000
     45     -11.7689      1.00000
     46     -11.7362      1.00000
     47     -11.7295      1.00000
     48     -11.7253      1.00000
     49     -11.7228      1.00000
     50     -10.6766      1.00000
     51     -10.3890      1.00000
     52     -10.3840      1.00000
     53     -10.3771      1.00000
     54     -10.3693      1.00000
     55     -10.3560      1.00000
     56     -10.3539      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4060      1.00000
     60      -9.3630      1.00000
     61      -9.3624      1.00000
     62      -9.3545      1.00000
     63      -9.1426      1.00000
     64      -9.1220      1.00000
     65      -9.1213      1.00000
     66      -9.0849      1.00000
     67      -9.0720      1.00000
     68      -9.0713      1.00000
     69      -9.0712      1.00000
     70      -9.0642      1.00000
     71      -9.0642      1.00000
     72      -9.0385      1.00000
     73      -9.0290      1.00000
     74      -9.0258      1.00000
     75      -8.1301      1.00000
     76      -7.7458      1.00000
     77      -7.4688      1.00000
     78      -7.4667      1.00000
     79      -7.4539      1.00000
     80      -7.4342      1.00000
     81      -7.4247      1.00000
     82      -7.4066      1.00000
     83      -7.3130      1.00000
     84      -7.2712      1.00000
     85      -7.2576      1.00000
     86      -7.2491      1.00000
     87      -7.1508      1.00000
     88      -7.0494      1.00000
     89      -6.4464      1.00000
     90      -6.4161      1.00000
     91      -6.4005      1.00000
     92      -6.3638      1.00000
     93      -6.3531      1.00000
     94      -6.3408      1.00000
     95      -5.9585      1.00000
     96      -5.9582      1.00000
     97      -4.8064      1.00000
     98      -4.5444      1.00000
     99      -4.4815      1.00000
    100      -4.4744      1.00000
    101      -4.3823      1.00000
    102      -4.3817      1.00000
    103      -4.2678      1.00000
    104      -4.1873      1.00000
    105      -3.7393      1.00000
    106      -3.4776      1.00000
    107      -1.8619      0.00000
    108      -1.6706      0.00000
    109      -1.6241      0.00000
    110      -1.5913      0.00000
    111      -1.5759      0.00000
    112      -1.5749      0.00000
    113      -0.4288      0.00000
    114       0.1458      0.00000
    115       0.1920      0.00000
    116       0.2556      0.00000
    117       0.2675      0.00000
    118       0.2714      0.00000
    119       0.4771      0.00000
    120       0.5481      0.00000
    121       1.2481      0.00000
    122       1.2900      0.00000
    123       1.5376      0.00000
    124       1.7715      0.00000
    125       1.7742      0.00000
    126       1.7747      0.00000
    127       1.7975      0.00000
    128       1.8298      0.00000
    129       1.9587      0.00000
    130       1.9691      0.00000
    131       1.9745      0.00000
    132       1.9893      0.00000
    133       1.9964      0.00000
    134       2.0791      0.00000
    135       2.2508      0.00000
    136       2.3456      0.00000
    137       2.6110      0.00000
    138       2.6126      0.00000
    139       2.6398      0.00000
    140       2.7128      0.00000
    141       2.9359      0.00000
    142       3.0454      0.00000
    143       3.0606      0.00000
    144       3.0959      0.00000
    145       3.0975      0.00000
    146       3.1040      0.00000
    147       3.1049      0.00000
    148       3.2781      0.00000
    149       3.4502      0.00000
    150       3.5086      0.00000
    151       3.8245      0.00000
    152       3.9593      0.00000
    153       3.9603      0.00000
    154       3.9635      0.00000
    155       3.9703      0.00000
    156       3.9990      0.00000
    157       4.1877      0.00000
    158       4.2625      0.00000
    159       4.2747      0.00000
    160       4.2839      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8318      1.00000
      3     -21.6395      1.00000
      4     -21.6116      1.00000
      5     -21.2759      1.00000
      6     -21.2365      1.00000
      7     -21.0580      1.00000
      8     -20.1688      1.00000
      9     -20.1305      1.00000
     10     -19.6096      1.00000
     11     -19.5986      1.00000
     12     -19.4181      1.00000
     13     -19.0906      1.00000
     14     -19.0609      1.00000
     15     -19.0498      1.00000
     16     -19.0424      1.00000
     17     -18.3615      1.00000
     18     -18.3531      1.00000
     19     -18.0198      1.00000
     20     -17.0698      1.00000
     21     -17.0311      1.00000
     22     -16.9445      1.00000
     23     -16.9406      1.00000
     24     -16.4685      1.00000
     25     -16.4638      1.00000
     26     -15.6149      1.00000
     27     -15.6081      1.00000
     28     -15.2533      1.00000
     29     -15.2442      1.00000
     30     -15.1854      1.00000
     31     -15.0985      1.00000
     32     -15.0717      1.00000
     33     -14.6992      1.00000
     34     -14.6972      1.00000
     35     -13.7270      1.00000
     36     -13.7245      1.00000
     37     -13.2362      1.00000
     38     -12.6146      1.00000
     39     -12.5844      1.00000
     40     -12.4549      1.00000
     41     -12.4512      1.00000
     42     -12.1097      1.00000
     43     -12.1051      1.00000
     44     -11.7179      1.00000
     45     -11.6870      1.00000
     46     -11.2355      1.00000
     47     -11.2262      1.00000
     48     -11.0182      1.00000
     49     -11.0102      1.00000
     50     -10.9272      1.00000
     51     -10.9058      1.00000
     52     -10.6317      1.00000
     53     -10.1553      1.00000
     54     -10.1513      1.00000
     55     -10.0921      1.00000
     56      -9.9990      1.00000
     57      -9.7033      1.00000
     58      -9.6953      1.00000
     59      -9.6565      1.00000
     60      -9.5922      1.00000
     61      -9.5771      1.00000
     62      -9.5591      1.00000
     63      -9.3074      1.00000
     64      -9.3036      1.00000
     65      -9.2746      1.00000
     66      -9.2370      1.00000
     67      -9.1372      1.00000
     68      -9.1154      1.00000
     69      -9.1117      1.00000
     70      -8.9402      1.00000
     71      -8.8725      1.00000
     72      -8.6046      1.00000
     73      -8.5910      1.00000
     74      -8.2368      1.00000
     75      -8.1006      1.00000
     76      -7.9135      1.00000
     77      -7.8640      1.00000
     78      -7.7718      1.00000
     79      -7.7570      1.00000
     80      -7.6923      1.00000
     81      -7.5607      1.00000
     82      -7.3390      1.00000
     83      -7.3229      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0125      1.00000
     88      -6.7047      1.00000
     89      -6.6783      1.00000
     90      -6.6413      1.00000
     91      -6.5979      1.00000
     92      -6.1159      1.00000
     93      -6.0624      1.00000
     94      -6.0313      1.00000
     95      -6.0116      1.00000
     96      -5.7835      1.00000
     97      -4.9745      1.00000
     98      -4.8322      1.00000
     99      -4.7471      1.00000
    100      -4.6795      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1719      1.00000
    104      -4.1280      1.00000
    105      -3.7296      1.00000
    106      -3.4878      1.00000
    107      -1.8703      0.00000
    108      -1.8089      0.00000
    109      -1.5244      0.00000
    110      -1.3776      0.00000
    111      -1.3214      0.00000
    112      -1.2880      0.00000
    113      -0.7199      0.00000
    114      -0.3760      0.00000
    115      -0.2499      0.00000
    116       0.0369      0.00000
    117       0.5560      0.00000
    118       0.6985      0.00000
    119       0.7464      0.00000
    120       1.0480      0.00000
    121       1.1000      0.00000
    122       1.1498      0.00000
    123       1.2274      0.00000
    124       1.3779      0.00000
    125       1.5240      0.00000
    126       1.5837      0.00000
    127       1.7153      0.00000
    128       1.8133      0.00000
    129       1.8577      0.00000
    130       1.8817      0.00000
    131       2.0963      0.00000
    132       2.1874      0.00000
    133       2.2415      0.00000
    134       2.3068      0.00000
    135       2.5141      0.00000
    136       2.5899      0.00000
    137       2.6392      0.00000
    138       2.7797      0.00000
    139       2.7963      0.00000
    140       2.8266      0.00000
    141       2.8582      0.00000
    142       2.9011      0.00000
    143       2.9420      0.00000
    144       3.0820      0.00000
    145       3.1544      0.00000
    146       3.3180      0.00000
    147       3.3822      0.00000
    148       3.4283      0.00000
    149       3.4684      0.00000
    150       3.6185      0.00000
    151       3.6466      0.00000
    152       3.6684      0.00000
    153       3.7141      0.00000
    154       3.9120      0.00000
    155       3.9607      0.00000
    156       4.0173      0.00000
    157       4.0675      0.00000
    158       4.2392      0.00000
    159       4.2523      0.00000
    160       4.2761      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2849      1.00000
      2     -22.0793      1.00000
      3     -21.7179      1.00000
      4     -21.6861      1.00000
      5     -20.9806      1.00000
      6     -20.9400      1.00000
      7     -20.6130      1.00000
      8     -20.5763      1.00000
      9     -20.5701      1.00000
     10     -20.0337      1.00000
     11     -19.5044      1.00000
     12     -19.4927      1.00000
     13     -19.3078      1.00000
     14     -19.3026      1.00000
     15     -18.4485      1.00000
     16     -18.4119      1.00000
     17     -17.9231      1.00000
     18     -17.9137      1.00000
     19     -17.7624      1.00000
     20     -17.7266      1.00000
     21     -17.4366      1.00000
     22     -17.4292      1.00000
     23     -17.3415      1.00000
     24     -16.4635      1.00000
     25     -16.4623      1.00000
     26     -15.9678      1.00000
     27     -15.4151      1.00000
     28     -15.4096      1.00000
     29     -15.0973      1.00000
     30     -15.0939      1.00000
     31     -14.8555      1.00000
     32     -14.8479      1.00000
     33     -14.2908      1.00000
     34     -14.2580      1.00000
     35     -13.4371      1.00000
     36     -13.4046      1.00000
     37     -13.1779      1.00000
     38     -13.1746      1.00000
     39     -12.9826      1.00000
     40     -12.9777      1.00000
     41     -12.6134      1.00000
     42     -12.6103      1.00000
     43     -12.1981      1.00000
     44     -11.5771      1.00000
     45     -11.5434      1.00000
     46     -11.3112      1.00000
     47     -11.2884      1.00000
     48     -11.1423      1.00000
     49     -10.6767      1.00000
     50     -10.6607      1.00000
     51     -10.5537      1.00000
     52     -10.3237      1.00000
     53     -10.3181      1.00000
     54     -10.1699      1.00000
     55     -10.1156      1.00000
     56     -10.1130      1.00000
     57      -9.7988      1.00000
     58      -9.7651      1.00000
     59      -9.7524      1.00000
     60      -9.7004      1.00000
     61      -9.6972      1.00000
     62      -9.6627      1.00000
     63      -9.3546      1.00000
     64      -9.3518      1.00000
     65      -9.3159      1.00000
     66      -9.0415      1.00000
     67      -8.9624      1.00000
     68      -8.9499      1.00000
     69      -8.8000      1.00000
     70      -8.5952      1.00000
     71      -8.5581      1.00000
     72      -8.3988      1.00000
     73      -8.3653      1.00000
     74      -8.3247      1.00000
     75      -8.3072      1.00000
     76      -8.2590      1.00000
     77      -8.2574      1.00000
     78      -8.2366      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3866      1.00000
     83      -7.3495      1.00000
     84      -7.2309      1.00000
     85      -7.0967      1.00000
     86      -7.0391      1.00000
     87      -6.9342      1.00000
     88      -6.8483      1.00000
     89      -6.6127      1.00000
     90      -6.5588      1.00000
     91      -6.2698      1.00000
     92      -6.0440      1.00000
     93      -5.9518      1.00000
     94      -5.6629      1.00000
     95      -5.6228      1.00000
     96      -5.4633      1.00000
     97      -5.3201      1.00000
     98      -5.2790      1.00000
     99      -5.2140      1.00000
    100      -5.1940      1.00000
    101      -4.5085      1.00000
    102      -4.2077      1.00000
    103      -4.0593      1.00000
    104      -3.9892      1.00000
    105      -3.6943      1.00000
    106      -3.4980      1.00000
    107      -1.9462      0.00000
    108      -1.8963      0.00000
    109      -1.3390      0.00000
    110      -1.0849      0.00000
    111      -1.0582      0.00000
    112      -0.8003      0.00000
    113      -0.6776      0.00000
    114      -0.6468      0.00000
    115      -0.6072      0.00000
    116      -0.1080      0.00000
    117       0.2155      0.00000
    118       0.3291      0.00000
    119       0.6943      0.00000
    120       0.8877      0.00000
    121       1.1273      0.00000
    122       1.1992      0.00000
    123       1.3265      0.00000
    124       1.4211      0.00000
    125       1.5544      0.00000
    126       1.5764      0.00000
    127       1.6802      0.00000
    128       1.8080      0.00000
    129       1.8832      0.00000
    130       2.0559      0.00000
    131       2.1224      0.00000
    132       2.3259      0.00000
    133       2.3586      0.00000
    134       2.3963      0.00000
    135       2.5470      0.00000
    136       2.6309      0.00000
    137       2.7299      0.00000
    138       2.7562      0.00000
    139       2.8254      0.00000
    140       2.8823      0.00000
    141       3.0483      0.00000
    142       3.0579      0.00000
    143       3.1642      0.00000
    144       3.2647      0.00000
    145       3.3613      0.00000
    146       3.4158      0.00000
    147       3.4336      0.00000
    148       3.5669      0.00000
    149       3.5844      0.00000
    150       3.6012      0.00000
    151       3.6601      0.00000
    152       3.6753      0.00000
    153       3.7807      0.00000
    154       3.8012      0.00000
    155       3.8063      0.00000
    156       3.8936      0.00000
    157       3.9225      0.00000
    158       3.9940      0.00000
    159       4.2152      0.00000
    160       4.2257      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.9641      1.00000
      3     -21.8950      1.00000
      4     -21.3822      1.00000
      5     -21.3530      1.00000
      6     -20.8409      1.00000
      7     -20.7756      1.00000
      8     -20.6253      1.00000
      9     -20.0787      1.00000
     10     -20.0731      1.00000
     11     -19.7179      1.00000
     12     -19.6934      1.00000
     13     -18.9975      1.00000
     14     -18.9916      1.00000
     15     -18.6416      1.00000
     16     -18.6257      1.00000
     17     -18.4630      1.00000
     18     -17.6761      1.00000
     19     -17.6256      1.00000
     20     -17.6228      1.00000
     21     -17.5810      1.00000
     22     -17.1273      1.00000
     23     -17.1058      1.00000
     24     -16.9627      1.00000
     25     -16.0023      1.00000
     26     -15.9305      1.00000
     27     -15.5865      1.00000
     28     -15.5862      1.00000
     29     -15.2876      1.00000
     30     -14.8648      1.00000
     31     -14.8375      1.00000
     32     -14.5795      1.00000
     33     -14.5376      1.00000
     34     -14.1694      1.00000
     35     -14.1558      1.00000
     36     -13.1485      1.00000
     37     -13.1013      1.00000
     38     -13.0302      1.00000
     39     -13.0200      1.00000
     40     -12.7095      1.00000
     41     -12.7053      1.00000
     42     -12.3423      1.00000
     43     -12.3110      1.00000
     44     -11.6365      1.00000
     45     -11.6229      1.00000
     46     -11.5727      1.00000
     47     -10.9501      1.00000
     48     -10.9170      1.00000
     49     -10.6329      1.00000
     50     -10.6248      1.00000
     51     -10.5479      1.00000
     52     -10.5002      1.00000
     53     -10.4999      1.00000
     54     -10.4399      1.00000
     55     -10.3607      1.00000
     56     -10.1001      1.00000
     57      -9.9042      1.00000
     58      -9.6088      1.00000
     59      -9.5565      1.00000
     60      -9.4530      1.00000
     61      -9.4126      1.00000
     62      -9.4057      1.00000
     63      -9.3776      1.00000
     64      -9.3772      1.00000
     65      -9.2880      1.00000
     66      -9.1691      1.00000
     67      -9.1435      1.00000
     68      -9.1152      1.00000
     69      -8.8652      1.00000
     70      -8.8576      1.00000
     71      -8.8157      1.00000
     72      -8.5975      1.00000
     73      -8.4805      1.00000
     74      -8.1991      1.00000
     75      -8.1637      1.00000
     76      -8.0093      1.00000
     77      -7.9640      1.00000
     78      -7.8507      1.00000
     79      -7.8406      1.00000
     80      -7.7044      1.00000
     81      -7.6970      1.00000
     82      -7.6224      1.00000
     83      -7.4490      1.00000
     84      -7.3009      1.00000
     85      -7.2533      1.00000
     86      -6.9065      1.00000
     87      -6.8928      1.00000
     88      -6.5890      1.00000
     89      -6.5515      1.00000
     90      -6.4062      1.00000
     91      -6.2537      1.00000
     92      -6.2330      1.00000
     93      -6.2055      1.00000
     94      -6.0232      1.00000
     95      -5.5502      1.00000
     96      -5.4891      1.00000
     97      -5.3505      1.00000
     98      -5.2198      1.00000
     99      -4.9795      1.00000
    100      -4.7327      1.00000
    101      -4.6781      1.00000
    102      -4.3875      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5464      1.00000
    106      -3.5100      1.00000
    107      -2.2563      0.00000
    108      -1.4566      0.00000
    109      -1.3712      0.00000
    110      -1.2418      0.00000
    111      -1.0979      0.00000
    112      -0.9450      0.00000
    113      -0.8637      0.00000
    114      -0.8032      0.00000
    115      -0.1393      0.00000
    116       0.1111      0.00000
    117       0.2407      0.00000
    118       0.3777      0.00000
    119       0.6518      0.00000
    120       0.8359      0.00000
    121       0.9366      0.00000
    122       1.0639      0.00000
    123       1.2336      0.00000
    124       1.4482      0.00000
    125       1.5513      0.00000
    126       1.7664      0.00000
    127       1.7933      0.00000
    128       1.8734      0.00000
    129       1.9702      0.00000
    130       2.0441      0.00000
    131       2.1768      0.00000
    132       2.1930      0.00000
    133       2.4110      0.00000
    134       2.4581      0.00000
    135       2.5286      0.00000
    136       2.6043      0.00000
    137       2.6376      0.00000
    138       2.6960      0.00000
    139       2.7790      0.00000
    140       2.8351      0.00000
    141       2.9500      0.00000
    142       3.0841      0.00000
    143       3.2021      0.00000
    144       3.2082      0.00000
    145       3.2565      0.00000
    146       3.3257      0.00000
    147       3.3310      0.00000
    148       3.4672      0.00000
    149       3.5004      0.00000
    150       3.6982      0.00000
    151       3.7113      0.00000
    152       3.7265      0.00000
    153       3.8581      0.00000
    154       3.9127      0.00000
    155       3.9474      0.00000
    156       3.9810      0.00000
    157       4.0140      0.00000
    158       4.0342      0.00000
    159       4.0506      0.00000
    160       4.0680      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2119      1.00000
      2     -22.1189      1.00000
      3     -21.9582      1.00000
      4     -21.4057      1.00000
      5     -21.0510      1.00000
      6     -21.0151      1.00000
      7     -20.5019      1.00000
      8     -20.4625      1.00000
      9     -20.2961      1.00000
     10     -20.2768      1.00000
     11     -19.9587      1.00000
     12     -19.8930      1.00000
     13     -18.8835      1.00000
     14     -18.8148      1.00000
     15     -18.3538      1.00000
     16     -18.3076      1.00000
     17     -18.1540      1.00000
     18     -18.1368      1.00000
     19     -17.8276      1.00000
     20     -17.7901      1.00000
     21     -17.2525      1.00000
     22     -17.2425      1.00000
     23     -17.1655      1.00000
     24     -17.1337      1.00000
     25     -16.1110      1.00000
     26     -15.8865      1.00000
     27     -15.8711      1.00000
     28     -15.8350      1.00000
     29     -15.2371      1.00000
     30     -14.5559      1.00000
     31     -14.5280      1.00000
     32     -14.2808      1.00000
     33     -13.9645      1.00000
     34     -13.9570      1.00000
     35     -13.8209      1.00000
     36     -13.8051      1.00000
     37     -13.6154      1.00000
     38     -13.5716      1.00000
     39     -13.3710      1.00000
     40     -12.6354      1.00000
     41     -12.1816      1.00000
     42     -12.1336      1.00000
     43     -12.0730      1.00000
     44     -12.0207      1.00000
     45     -11.6701      1.00000
     46     -11.6566      1.00000
     47     -11.1395      1.00000
     48     -11.1189      1.00000
     49     -10.7954      1.00000
     50     -10.7319      1.00000
     51     -10.5294      1.00000
     52     -10.2091      1.00000
     53     -10.2064      1.00000
     54     -10.1654      1.00000
     55     -10.0184      1.00000
     56     -10.0049      1.00000
     57      -9.9913      1.00000
     58      -9.8018      1.00000
     59      -9.7980      1.00000
     60      -9.7627      1.00000
     61      -9.7579      1.00000
     62      -9.4552      1.00000
     63      -9.4180      1.00000
     64      -9.0810      1.00000
     65      -9.0729      1.00000
     66      -9.0413      1.00000
     67      -8.9558      1.00000
     68      -8.8778      1.00000
     69      -8.7126      1.00000
     70      -8.7003      1.00000
     71      -8.5664      1.00000
     72      -8.5435      1.00000
     73      -8.4998      1.00000
     74      -8.4630      1.00000
     75      -8.4538      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0438      1.00000
     79      -7.9160      1.00000
     80      -7.8635      1.00000
     81      -7.6152      1.00000
     82      -7.5489      1.00000
     83      -7.4902      1.00000
     84      -7.2681      1.00000
     85      -6.9955      1.00000
     86      -6.9233      1.00000
     87      -6.8822      1.00000
     88      -6.5327      1.00000
     89      -6.4874      1.00000
     90      -6.4615      1.00000
     91      -6.4105      1.00000
     92      -5.9841      1.00000
     93      -5.8976      1.00000
     94      -5.7847      1.00000
     95      -5.7598      1.00000
     96      -5.4322      1.00000
     97      -5.3294      1.00000
     98      -5.2304      1.00000
     99      -5.2178      1.00000
    100      -5.1885      1.00000
    101      -4.6922      1.00000
    102      -4.4215      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5291      1.00000
    106      -3.2742      1.00000
    107      -2.5312      0.00000
    108      -1.4581      0.00000
    109      -1.2667      0.00000
    110      -1.2029      0.00000
    111      -1.1725      0.00000
    112      -0.7196      0.00000
    113      -0.5035      0.00000
    114      -0.4119      0.00000
    115      -0.3395      0.00000
    116      -0.1459      0.00000
    117      -0.0028      0.00000
    118       0.1939      0.00000
    119       0.5613      0.00000
    120       0.6126      0.00000
    121       0.7964      0.00000
    122       0.9071      0.00000
    123       1.1327      0.00000
    124       1.4940      0.00000
    125       1.6351      0.00000
    126       1.8542      0.00000
    127       1.9275      0.00000
    128       2.1061      0.00000
    129       2.1163      0.00000
    130       2.1497      0.00000
    131       2.1869      0.00000
    132       2.2799      0.00000
    133       2.3385      0.00000
    134       2.4679      0.00000
    135       2.5806      0.00000
    136       2.6581      0.00000
    137       2.8550      0.00000
    138       2.8716      0.00000
    139       2.8939      0.00000
    140       3.0187      0.00000
    141       3.0265      0.00000
    142       3.1408      0.00000
    143       3.1807      0.00000
    144       3.2341      0.00000
    145       3.2746      0.00000
    146       3.2847      0.00000
    147       3.3006      0.00000
    148       3.3470      0.00000
    149       3.4238      0.00000
    150       3.4446      0.00000
    151       3.5531      0.00000
    152       3.6231      0.00000
    153       3.7063      0.00000
    154       3.7304      0.00000
    155       3.7734      0.00000
    156       3.8949      0.00000
    157       3.9415      0.00000
    158       4.0061      0.00000
    159       4.1325      0.00000
    160       4.2246      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3187      1.00000
      2     -21.9657      1.00000
      3     -21.8935      1.00000
      4     -21.3859      1.00000
      5     -21.3495      1.00000
      6     -20.8407      1.00000
      7     -20.7743      1.00000
      8     -20.6262      1.00000
      9     -20.0907      1.00000
     10     -20.0619      1.00000
     11     -19.7195      1.00000
     12     -19.6907      1.00000
     13     -19.0108      1.00000
     14     -18.9797      1.00000
     15     -18.6507      1.00000
     16     -18.6180      1.00000
     17     -18.4616      1.00000
     18     -17.6613      1.00000
     19     -17.6476      1.00000
     20     -17.6114      1.00000
     21     -17.5789      1.00000
     22     -17.1380      1.00000
     23     -17.0981      1.00000
     24     -16.9664      1.00000
     25     -16.0087      1.00000
     26     -15.9239      1.00000
     27     -15.5998      1.00000
     28     -15.5762      1.00000
     29     -15.2803      1.00000
     30     -14.8774      1.00000
     31     -14.8304      1.00000
     32     -14.5753      1.00000
     33     -14.5375      1.00000
     34     -14.1644      1.00000
     35     -14.1603      1.00000
     36     -13.1627      1.00000
     37     -13.0969      1.00000
     38     -13.0238      1.00000
     39     -13.0190      1.00000
     40     -12.7185      1.00000
     41     -12.6952      1.00000
     42     -12.3414      1.00000
     43     -12.3142      1.00000
     44     -11.6318      1.00000
     45     -11.6226      1.00000
     46     -11.5707      1.00000
     47     -10.9412      1.00000
     48     -10.9234      1.00000
     49     -10.6695      1.00000
     50     -10.5902      1.00000
     51     -10.5736      1.00000
     52     -10.5011      1.00000
     53     -10.4897      1.00000
     54     -10.4394      1.00000
     55     -10.3568      1.00000
     56     -10.1044      1.00000
     57      -9.8985      1.00000
     58      -9.6092      1.00000
     59      -9.5520      1.00000
     60      -9.4548      1.00000
     61      -9.4181      1.00000
     62      -9.4099      1.00000
     63      -9.3799      1.00000
     64      -9.3728      1.00000
     65      -9.2681      1.00000
     66      -9.1653      1.00000
     67      -9.1413      1.00000
     68      -9.1159      1.00000
     69      -8.8663      1.00000
     70      -8.8602      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1932      1.00000
     75      -8.1706      1.00000
     76      -8.0762      1.00000
     77      -7.8580      1.00000
     78      -7.8372      1.00000
     79      -7.8242      1.00000
     80      -7.7106      1.00000
     81      -7.6962      1.00000
     82      -7.5977      1.00000
     83      -7.5301      1.00000
     84      -7.3507      1.00000
     85      -7.1680      1.00000
     86      -6.9052      1.00000
     87      -6.8959      1.00000
     88      -6.5928      1.00000
     89      -6.5516      1.00000
     90      -6.4062      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2010      1.00000
     94      -6.0042      1.00000
     95      -5.5320      1.00000
     96      -5.4654      1.00000
     97      -5.3143      1.00000
     98      -5.2097      1.00000
     99      -5.0470      1.00000
    100      -4.7236      1.00000
    101      -4.6717      1.00000
    102      -4.4239      1.00000
    103      -4.1948      1.00000
    104      -3.8428      1.00000
    105      -3.6345      1.00000
    106      -3.4163      1.00000
    107      -2.2925      0.00000
    108      -1.5093      0.00000
    109      -1.2700      0.00000
    110      -1.2623      0.00000
    111      -1.0343      0.00000
    112      -0.9778      0.00000
    113      -0.8681      0.00000
    114      -0.7998      0.00000
    115      -0.2616      0.00000
    116       0.2044      0.00000
    117       0.2396      0.00000
    118       0.3600      0.00000
    119       0.6910      0.00000
    120       0.8942      0.00000
    121       0.9239      0.00000
    122       1.0406      0.00000
    123       1.1671      0.00000
    124       1.5099      0.00000
    125       1.5601      0.00000
    126       1.7110      0.00000
    127       1.7788      0.00000
    128       1.8336      0.00000
    129       1.9626      0.00000
    130       1.9855      0.00000
    131       2.1836      0.00000
    132       2.2627      0.00000
    133       2.4160      0.00000
    134       2.4643      0.00000
    135       2.5262      0.00000
    136       2.6007      0.00000
    137       2.6188      0.00000
    138       2.6994      0.00000
    139       2.7587      0.00000
    140       2.8641      0.00000
    141       3.0365      0.00000
    142       3.0823      0.00000
    143       3.1892      0.00000
    144       3.2451      0.00000
    145       3.2582      0.00000
    146       3.2979      0.00000
    147       3.3568      0.00000
    148       3.4523      0.00000
    149       3.5210      0.00000
    150       3.6921      0.00000
    151       3.7173      0.00000
    152       3.7478      0.00000
    153       3.8309      0.00000
    154       3.8909      0.00000
    155       3.9337      0.00000
    156       3.9796      0.00000
    157       4.0092      0.00000
    158       4.0401      0.00000
    159       4.0473      0.00000
    160       4.0838      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8321      1.00000
      3     -21.6427      1.00000
      4     -21.6077      1.00000
      5     -21.2800      1.00000
      6     -21.2330      1.00000
      7     -21.0577      1.00000
      8     -20.1726      1.00000
      9     -20.1264      1.00000
     10     -19.6179      1.00000
     11     -19.5917      1.00000
     12     -19.4167      1.00000
     13     -19.0956      1.00000
     14     -19.0569      1.00000
     15     -19.0525      1.00000
     16     -19.0397      1.00000
     17     -18.3676      1.00000
     18     -18.3479      1.00000
     19     -18.0175      1.00000
     20     -17.0731      1.00000
     21     -17.0243      1.00000
     22     -16.9503      1.00000
     23     -16.9365      1.00000
     24     -16.4753      1.00000
     25     -16.4634      1.00000
     26     -15.6101      1.00000
     27     -15.6096      1.00000
     28     -15.2505      1.00000
     29     -15.2384      1.00000
     30     -15.1923      1.00000
     31     -15.1022      1.00000
     32     -15.0692      1.00000
     33     -14.6988      1.00000
     34     -14.6978      1.00000
     35     -13.7254      1.00000
     36     -13.7253      1.00000
     37     -13.2359      1.00000
     38     -12.6247      1.00000
     39     -12.5805      1.00000
     40     -12.4555      1.00000
     41     -12.4501      1.00000
     42     -12.1053      1.00000
     43     -12.1004      1.00000
     44     -11.7219      1.00000
     45     -11.6833      1.00000
     46     -11.2456      1.00000
     47     -11.2249      1.00000
     48     -11.0182      1.00000
     49     -11.0065      1.00000
     50     -10.9280      1.00000
     51     -10.8994      1.00000
     52     -10.6377      1.00000
     53     -10.1729      1.00000
     54     -10.1499      1.00000
     55     -10.0852      1.00000
     56      -9.9927      1.00000
     57      -9.6966      1.00000
     58      -9.6901      1.00000
     59      -9.6710      1.00000
     60      -9.5915      1.00000
     61      -9.5675      1.00000
     62      -9.5543      1.00000
     63      -9.3132      1.00000
     64      -9.3005      1.00000
     65      -9.2837      1.00000
     66      -9.2431      1.00000
     67      -9.1227      1.00000
     68      -9.1130      1.00000
     69      -9.1113      1.00000
     70      -8.9401      1.00000
     71      -8.8753      1.00000
     72      -8.6049      1.00000
     73      -8.5862      1.00000
     74      -8.2712      1.00000
     75      -8.1016      1.00000
     76      -7.8676      1.00000
     77      -7.8440      1.00000
     78      -7.7907      1.00000
     79      -7.7650      1.00000
     80      -7.7560      1.00000
     81      -7.4473      1.00000
     82      -7.3350      1.00000
     83      -7.3235      1.00000
     84      -7.2664      1.00000
     85      -7.1628      1.00000
     86      -7.0148      1.00000
     87      -6.9867      1.00000
     88      -6.7179      1.00000
     89      -6.6908      1.00000
     90      -6.6319      1.00000
     91      -6.5908      1.00000
     92      -6.1179      1.00000
     93      -6.0590      1.00000
     94      -6.0448      1.00000
     95      -6.0286      1.00000
     96      -5.7481      1.00000
     97      -4.9748      1.00000
     98      -4.8397      1.00000
     99      -4.7091      1.00000
    100      -4.6735      1.00000
    101      -4.4837      1.00000
    102      -4.3523      1.00000
    103      -4.1119      1.00000
    104      -4.0556      1.00000
    105      -3.7550      1.00000
    106      -3.4654      1.00000
    107      -1.9506      0.00000
    108      -1.7711      0.00000
    109      -1.4798      0.00000
    110      -1.3555      0.00000
    111      -1.3359      0.00000
    112      -1.2926      0.00000
    113      -0.6785      0.00000
    114      -0.4719      0.00000
    115      -0.2354      0.00000
    116       0.0516      0.00000
    117       0.5877      0.00000
    118       0.6924      0.00000
    119       0.7701      0.00000
    120       1.0228      0.00000
    121       1.0970      0.00000
    122       1.1767      0.00000
    123       1.2501      0.00000
    124       1.3349      0.00000
    125       1.4337      0.00000
    126       1.6000      0.00000
    127       1.7626      0.00000
    128       1.8429      0.00000
    129       1.8599      0.00000
    130       1.8877      0.00000
    131       2.0449      0.00000
    132       2.2175      0.00000
    133       2.2331      0.00000
    134       2.2865      0.00000
    135       2.4802      0.00000
    136       2.6187      0.00000
    137       2.6411      0.00000
    138       2.7535      0.00000
    139       2.7950      0.00000
    140       2.8363      0.00000
    141       2.8480      0.00000
    142       2.8696      0.00000
    143       2.9459      0.00000
    144       3.0862      0.00000
    145       3.3148      0.00000
    146       3.3548      0.00000
    147       3.4056      0.00000
    148       3.4183      0.00000
    149       3.4241      0.00000
    150       3.6025      0.00000
    151       3.6492      0.00000
    152       3.6772      0.00000
    153       3.7312      0.00000
    154       3.8960      0.00000
    155       3.9251      0.00000
    156       3.9559      0.00000
    157       4.1069      0.00000
    158       4.2061      0.00000
    159       4.2570      0.00000
    160       4.2838      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2110      1.00000
      2     -22.1202      1.00000
      3     -21.9579      1.00000
      4     -21.4058      1.00000
      5     -21.0472      1.00000
      6     -21.0189      1.00000
      7     -20.4971      1.00000
      8     -20.4672      1.00000
      9     -20.2873      1.00000
     10     -20.2853      1.00000
     11     -19.9576      1.00000
     12     -19.8945      1.00000
     13     -18.8842      1.00000
     14     -18.8166      1.00000
     15     -18.3385      1.00000
     16     -18.3195      1.00000
     17     -18.1498      1.00000
     18     -18.1424      1.00000
     19     -17.8166      1.00000
     20     -17.7985      1.00000
     21     -17.2587      1.00000
     22     -17.2391      1.00000
     23     -17.1608      1.00000
     24     -17.1360      1.00000
     25     -16.1175      1.00000
     26     -15.8812      1.00000
     27     -15.8701      1.00000
     28     -15.8409      1.00000
     29     -15.2314      1.00000
     30     -14.5513      1.00000
     31     -14.5329      1.00000
     32     -14.2761      1.00000
     33     -13.9756      1.00000
     34     -13.9519      1.00000
     35     -13.8253      1.00000
     36     -13.8030      1.00000
     37     -13.6044      1.00000
     38     -13.5792      1.00000
     39     -13.3712      1.00000
     40     -12.6396      1.00000
     41     -12.1691      1.00000
     42     -12.1428      1.00000
     43     -12.0685      1.00000
     44     -12.0217      1.00000
     45     -11.6654      1.00000
     46     -11.6608      1.00000
     47     -11.1369      1.00000
     48     -11.1258      1.00000
     49     -10.7905      1.00000
     50     -10.7344      1.00000
     51     -10.5361      1.00000
     52     -10.2089      1.00000
     53     -10.2028      1.00000
     54     -10.1711      1.00000
     55     -10.0233      1.00000
     56      -9.9948      1.00000
     57      -9.9907      1.00000
     58      -9.8055      1.00000
     59      -9.7965      1.00000
     60      -9.7649      1.00000
     61      -9.7569      1.00000
     62      -9.4544      1.00000
     63      -9.4179      1.00000
     64      -9.0852      1.00000
     65      -9.0463      1.00000
     66      -9.0260      1.00000
     67      -8.9698      1.00000
     68      -8.8982      1.00000
     69      -8.7086      1.00000
     70      -8.6994      1.00000
     71      -8.5600      1.00000
     72      -8.5493      1.00000
     73      -8.4782      1.00000
     74      -8.4599      1.00000
     75      -8.4571      1.00000
     76      -8.3087      1.00000
     77      -8.0955      1.00000
     78      -8.0896      1.00000
     79      -7.9269      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5369      1.00000
     83      -7.4437      1.00000
     84      -7.3142      1.00000
     85      -6.9942      1.00000
     86      -6.9195      1.00000
     87      -6.8824      1.00000
     88      -6.5277      1.00000
     89      -6.5149      1.00000
     90      -6.4809      1.00000
     91      -6.4208      1.00000
     92      -5.9273      1.00000
     93      -5.9054      1.00000
     94      -5.7890      1.00000
     95      -5.7751      1.00000
     96      -5.3695      1.00000
     97      -5.3633      1.00000
     98      -5.2205      1.00000
     99      -5.2155      1.00000
    100      -5.1989      1.00000
    101      -4.7204      1.00000
    102      -4.4423      1.00000
    103      -4.1909      1.00000
    104      -3.8204      1.00000
    105      -3.5655      1.00000
    106      -3.2215      1.00000
    107      -2.5626      0.00000
    108      -1.4632      0.00000
    109      -1.2673      0.00000
    110      -1.1852      0.00000
    111      -1.1837      0.00000
    112      -0.6447      0.00000
    113      -0.5514      0.00000
    114      -0.4147      0.00000
    115      -0.3474      0.00000
    116      -0.0776      0.00000
    117      -0.0633      0.00000
    118       0.1260      0.00000
    119       0.5931      0.00000
    120       0.6265      0.00000
    121       0.8553      0.00000
    122       0.9859      0.00000
    123       1.0035      0.00000
    124       1.4943      0.00000
    125       1.6840      0.00000
    126       1.7665      0.00000
    127       1.8616      0.00000
    128       2.1144      0.00000
    129       2.1442      0.00000
    130       2.1889      0.00000
    131       2.2103      0.00000
    132       2.2562      0.00000
    133       2.3531      0.00000
    134       2.4944      0.00000
    135       2.5102      0.00000
    136       2.6658      0.00000
    137       2.8526      0.00000
    138       2.8594      0.00000
    139       2.9542      0.00000
    140       3.0063      0.00000
    141       3.0409      0.00000
    142       3.1357      0.00000
    143       3.1930      0.00000
    144       3.2456      0.00000
    145       3.2525      0.00000
    146       3.2805      0.00000
    147       3.3034      0.00000
    148       3.3547      0.00000
    149       3.4195      0.00000
    150       3.5500      0.00000
    151       3.5658      0.00000
    152       3.6475      0.00000
    153       3.6631      0.00000
    154       3.7022      0.00000
    155       3.7278      0.00000
    156       3.8973      0.00000
    157       3.9614      0.00000
    158       4.0380      0.00000
    159       4.0772      0.00000
    160       4.1858      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2845      1.00000
      2     -22.0799      1.00000
      3     -21.7215      1.00000
      4     -21.6822      1.00000
      5     -20.9839      1.00000
      6     -20.9362      1.00000
      7     -20.6125      1.00000
      8     -20.5803      1.00000
      9     -20.5667      1.00000
     10     -20.0333      1.00000
     11     -19.5143      1.00000
     12     -19.4842      1.00000
     13     -19.3123      1.00000
     14     -19.2993      1.00000
     15     -18.4505      1.00000
     16     -18.4074      1.00000
     17     -17.9283      1.00000
     18     -17.9079      1.00000
     19     -17.7668      1.00000
     20     -17.7218      1.00000
     21     -17.4423      1.00000
     22     -17.4238      1.00000
     23     -17.3389      1.00000
     24     -16.4714      1.00000
     25     -16.4612      1.00000
     26     -15.9714      1.00000
     27     -15.4115      1.00000
     28     -15.4105      1.00000
     29     -15.0964      1.00000
     30     -15.0934      1.00000
     31     -14.8536      1.00000
     32     -14.8412      1.00000
     33     -14.2984      1.00000
     34     -14.2547      1.00000
     35     -13.4448      1.00000
     36     -13.4010      1.00000
     37     -13.1755      1.00000
     38     -13.1741      1.00000
     39     -12.9864      1.00000
     40     -12.9775      1.00000
     41     -12.6110      1.00000
     42     -12.6089      1.00000
     43     -12.1973      1.00000
     44     -11.5798      1.00000
     45     -11.5387      1.00000
     46     -11.3137      1.00000
     47     -11.2834      1.00000
     48     -11.1425      1.00000
     49     -10.6926      1.00000
     50     -10.6632      1.00000
     51     -10.5475      1.00000
     52     -10.3228      1.00000
     53     -10.3151      1.00000
     54     -10.1762      1.00000
     55     -10.1215      1.00000
     56     -10.1082      1.00000
     57      -9.8120      1.00000
     58      -9.7530      1.00000
     59      -9.7525      1.00000
     60      -9.7027      1.00000
     61      -9.6988      1.00000
     62      -9.6473      1.00000
     63      -9.3530      1.00000
     64      -9.3516      1.00000
     65      -9.3180      1.00000
     66      -9.0282      1.00000
     67      -8.9619      1.00000
     68      -8.9581      1.00000
     69      -8.7758      1.00000
     70      -8.5917      1.00000
     71      -8.5886      1.00000
     72      -8.4241      1.00000
     73      -8.3500      1.00000
     74      -8.3226      1.00000
     75      -8.3024      1.00000
     76      -8.2658      1.00000
     77      -8.2542      1.00000
     78      -8.2394      1.00000
     79      -7.9217      1.00000
     80      -7.7341      1.00000
     81      -7.3799      1.00000
     82      -7.3503      1.00000
     83      -7.3237      1.00000
     84      -7.2176      1.00000
     85      -7.1605      1.00000
     86      -7.0654      1.00000
     87      -6.9610      1.00000
     88      -6.9054      1.00000
     89      -6.6134      1.00000
     90      -6.5569      1.00000
     91      -6.2709      1.00000
     92      -5.9968      1.00000
     93      -5.9596      1.00000
     94      -5.6754      1.00000
     95      -5.6488      1.00000
     96      -5.3875      1.00000
     97      -5.3152      1.00000
     98      -5.2941      1.00000
     99      -5.2121      1.00000
    100      -5.2005      1.00000
    101      -4.5115      1.00000
    102      -4.3388      1.00000
    103      -3.9965      1.00000
    104      -3.8860      1.00000
    105      -3.7929      1.00000
    106      -3.4433      1.00000
    107      -2.0345      0.00000
    108      -1.8634      0.00000
    109      -1.2176      0.00000
    110      -1.1842      0.00000
    111      -1.0358      0.00000
    112      -0.7722      0.00000
    113      -0.6773      0.00000
    114      -0.6599      0.00000
    115      -0.6096      0.00000
    116      -0.1017      0.00000
    117       0.2226      0.00000
    118       0.2397      0.00000
    119       0.7698      0.00000
    120       0.9841      0.00000
    121       1.0739      0.00000
    122       1.2416      0.00000
    123       1.2511      0.00000
    124       1.3410      0.00000
    125       1.5786      0.00000
    126       1.5852      0.00000
    127       1.7026      0.00000
    128       1.7978      0.00000
    129       1.9467      0.00000
    130       1.9623      0.00000
    131       2.0832      0.00000
    132       2.2931      0.00000
    133       2.3420      0.00000
    134       2.4165      0.00000
    135       2.5438      0.00000
    136       2.6289      0.00000
    137       2.7648      0.00000
    138       2.8284      0.00000
    139       2.8436      0.00000
    140       2.8674      0.00000
    141       3.0472      0.00000
    142       3.1006      0.00000
    143       3.1530      0.00000
    144       3.2216      0.00000
    145       3.3745      0.00000
    146       3.4139      0.00000
    147       3.5048      0.00000
    148       3.5510      0.00000
    149       3.5906      0.00000
    150       3.6110      0.00000
    151       3.6482      0.00000
    152       3.7356      0.00000
    153       3.7451      0.00000
    154       3.7770      0.00000
    155       3.8152      0.00000
    156       3.8765      0.00000
    157       4.0210      0.00000
    158       4.0867      0.00000
    159       4.1694      0.00000
    160       4.2121      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4276      1.00000
      2     -21.6044      1.00000
      3     -21.4827      1.00000
      4     -21.4736      1.00000
      5     -21.4420      1.00000
      6     -21.4412      1.00000
      7     -21.4311      1.00000
      8     -19.7085      1.00000
      9     -19.6536      1.00000
     10     -19.6303      1.00000
     11     -19.6193      1.00000
     12     -19.6140      1.00000
     13     -19.6130      1.00000
     14     -18.7906      1.00000
     15     -18.7555      1.00000
     16     -18.7357      1.00000
     17     -18.7262      1.00000
     18     -18.7190      1.00000
     19     -18.7137      1.00000
     20     -16.6354      1.00000
     21     -16.6096      1.00000
     22     -16.5852      1.00000
     23     -16.5818      1.00000
     24     -16.5548      1.00000
     25     -16.5531      1.00000
     26     -15.6154      1.00000
     27     -15.6027      1.00000
     28     -15.5994      1.00000
     29     -15.5653      1.00000
     30     -15.5636      1.00000
     31     -15.5626      1.00000
     32     -14.2604      1.00000
     33     -14.2511      1.00000
     34     -14.2411      1.00000
     35     -14.2361      1.00000
     36     -14.2229      1.00000
     37     -14.2200      1.00000
     38     -11.9060      1.00000
     39     -11.8791      1.00000
     40     -11.8679      1.00000
     41     -11.8658      1.00000
     42     -11.8451      1.00000
     43     -11.8449      1.00000
     44     -11.7716      1.00000
     45     -11.7689      1.00000
     46     -11.7362      1.00000
     47     -11.7295      1.00000
     48     -11.7253      1.00000
     49     -11.7228      1.00000
     50     -10.6766      1.00000
     51     -10.3890      1.00000
     52     -10.3840      1.00000
     53     -10.3771      1.00000
     54     -10.3693      1.00000
     55     -10.3560      1.00000
     56     -10.3539      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4060      1.00000
     60      -9.3630      1.00000
     61      -9.3624      1.00000
     62      -9.3545      1.00000
     63      -9.1426      1.00000
     64      -9.1220      1.00000
     65      -9.1213      1.00000
     66      -9.0849      1.00000
     67      -9.0720      1.00000
     68      -9.0713      1.00000
     69      -9.0712      1.00000
     70      -9.0642      1.00000
     71      -9.0642      1.00000
     72      -9.0385      1.00000
     73      -9.0290      1.00000
     74      -9.0258      1.00000
     75      -8.1301      1.00000
     76      -7.7458      1.00000
     77      -7.4688      1.00000
     78      -7.4667      1.00000
     79      -7.4539      1.00000
     80      -7.4342      1.00000
     81      -7.4247      1.00000
     82      -7.4066      1.00000
     83      -7.3130      1.00000
     84      -7.2712      1.00000
     85      -7.2576      1.00000
     86      -7.2491      1.00000
     87      -7.1508      1.00000
     88      -7.0494      1.00000
     89      -6.4464      1.00000
     90      -6.4161      1.00000
     91      -6.4005      1.00000
     92      -6.3638      1.00000
     93      -6.3531      1.00000
     94      -6.3408      1.00000
     95      -5.9585      1.00000
     96      -5.9582      1.00000
     97      -4.8064      1.00000
     98      -4.5444      1.00000
     99      -4.4815      1.00000
    100      -4.4744      1.00000
    101      -4.3823      1.00000
    102      -4.3817      1.00000
    103      -4.2678      1.00000
    104      -4.1873      1.00000
    105      -3.7393      1.00000
    106      -3.4776      1.00000
    107      -1.8619      0.00000
    108      -1.6706      0.00000
    109      -1.6241      0.00000
    110      -1.5913      0.00000
    111      -1.5759      0.00000
    112      -1.5749      0.00000
    113      -0.4288      0.00000
    114       0.1458      0.00000
    115       0.1920      0.00000
    116       0.2556      0.00000
    117       0.2675      0.00000
    118       0.2714      0.00000
    119       0.4771      0.00000
    120       0.5481      0.00000
    121       1.2481      0.00000
    122       1.2900      0.00000
    123       1.5376      0.00000
    124       1.7715      0.00000
    125       1.7742      0.00000
    126       1.7747      0.00000
    127       1.7975      0.00000
    128       1.8298      0.00000
    129       1.9587      0.00000
    130       1.9691      0.00000
    131       1.9745      0.00000
    132       1.9893      0.00000
    133       1.9964      0.00000
    134       2.0791      0.00000
    135       2.2508      0.00000
    136       2.3456      0.00000
    137       2.6110      0.00000
    138       2.6126      0.00000
    139       2.6398      0.00000
    140       2.7128      0.00000
    141       2.9359      0.00000
    142       3.0454      0.00000
    143       3.0606      0.00000
    144       3.0959      0.00000
    145       3.0975      0.00000
    146       3.1040      0.00000
    147       3.1049      0.00000
    148       3.2781      0.00000
    149       3.4502      0.00000
    150       3.5086      0.00000
    151       3.8245      0.00000
    152       3.9593      0.00000
    153       3.9603      0.00000
    154       3.9635      0.00000
    155       3.9703      0.00000
    156       3.9990      0.00000
    157       4.1877      0.00000
    158       4.2625      0.00000
    159       4.2747      0.00000
    160       4.2839      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8318      1.00000
      3     -21.6395      1.00000
      4     -21.6116      1.00000
      5     -21.2759      1.00000
      6     -21.2365      1.00000
      7     -21.0580      1.00000
      8     -20.1688      1.00000
      9     -20.1305      1.00000
     10     -19.6096      1.00000
     11     -19.5986      1.00000
     12     -19.4181      1.00000
     13     -19.0906      1.00000
     14     -19.0609      1.00000
     15     -19.0498      1.00000
     16     -19.0424      1.00000
     17     -18.3615      1.00000
     18     -18.3531      1.00000
     19     -18.0198      1.00000
     20     -17.0698      1.00000
     21     -17.0311      1.00000
     22     -16.9445      1.00000
     23     -16.9406      1.00000
     24     -16.4685      1.00000
     25     -16.4638      1.00000
     26     -15.6149      1.00000
     27     -15.6081      1.00000
     28     -15.2533      1.00000
     29     -15.2442      1.00000
     30     -15.1854      1.00000
     31     -15.0985      1.00000
     32     -15.0717      1.00000
     33     -14.6992      1.00000
     34     -14.6972      1.00000
     35     -13.7270      1.00000
     36     -13.7245      1.00000
     37     -13.2362      1.00000
     38     -12.6146      1.00000
     39     -12.5844      1.00000
     40     -12.4549      1.00000
     41     -12.4512      1.00000
     42     -12.1097      1.00000
     43     -12.1051      1.00000
     44     -11.7179      1.00000
     45     -11.6870      1.00000
     46     -11.2355      1.00000
     47     -11.2262      1.00000
     48     -11.0182      1.00000
     49     -11.0102      1.00000
     50     -10.9272      1.00000
     51     -10.9058      1.00000
     52     -10.6317      1.00000
     53     -10.1553      1.00000
     54     -10.1513      1.00000
     55     -10.0921      1.00000
     56      -9.9990      1.00000
     57      -9.7033      1.00000
     58      -9.6953      1.00000
     59      -9.6565      1.00000
     60      -9.5922      1.00000
     61      -9.5771      1.00000
     62      -9.5591      1.00000
     63      -9.3074      1.00000
     64      -9.3036      1.00000
     65      -9.2746      1.00000
     66      -9.2370      1.00000
     67      -9.1372      1.00000
     68      -9.1154      1.00000
     69      -9.1117      1.00000
     70      -8.9402      1.00000
     71      -8.8725      1.00000
     72      -8.6046      1.00000
     73      -8.5910      1.00000
     74      -8.2368      1.00000
     75      -8.1006      1.00000
     76      -7.9135      1.00000
     77      -7.8640      1.00000
     78      -7.7718      1.00000
     79      -7.7570      1.00000
     80      -7.6923      1.00000
     81      -7.5607      1.00000
     82      -7.3390      1.00000
     83      -7.3229      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0125      1.00000
     88      -6.7047      1.00000
     89      -6.6783      1.00000
     90      -6.6413      1.00000
     91      -6.5979      1.00000
     92      -6.1159      1.00000
     93      -6.0624      1.00000
     94      -6.0313      1.00000
     95      -6.0116      1.00000
     96      -5.7835      1.00000
     97      -4.9745      1.00000
     98      -4.8322      1.00000
     99      -4.7471      1.00000
    100      -4.6795      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1719      1.00000
    104      -4.1280      1.00000
    105      -3.7296      1.00000
    106      -3.4878      1.00000
    107      -1.8703      0.00000
    108      -1.8089      0.00000
    109      -1.5244      0.00000
    110      -1.3776      0.00000
    111      -1.3214      0.00000
    112      -1.2880      0.00000
    113      -0.7199      0.00000
    114      -0.3760      0.00000
    115      -0.2499      0.00000
    116       0.0369      0.00000
    117       0.5560      0.00000
    118       0.6985      0.00000
    119       0.7464      0.00000
    120       1.0480      0.00000
    121       1.1000      0.00000
    122       1.1498      0.00000
    123       1.2274      0.00000
    124       1.3779      0.00000
    125       1.5240      0.00000
    126       1.5837      0.00000
    127       1.7153      0.00000
    128       1.8133      0.00000
    129       1.8577      0.00000
    130       1.8817      0.00000
    131       2.0963      0.00000
    132       2.1874      0.00000
    133       2.2415      0.00000
    134       2.3068      0.00000
    135       2.5141      0.00000
    136       2.5899      0.00000
    137       2.6392      0.00000
    138       2.7797      0.00000
    139       2.7963      0.00000
    140       2.8266      0.00000
    141       2.8582      0.00000
    142       2.9011      0.00000
    143       2.9420      0.00000
    144       3.0820      0.00000
    145       3.1544      0.00000
    146       3.3180      0.00000
    147       3.3822      0.00000
    148       3.4283      0.00000
    149       3.4684      0.00000
    150       3.6185      0.00000
    151       3.6466      0.00000
    152       3.6684      0.00000
    153       3.7141      0.00000
    154       3.9120      0.00000
    155       3.9607      0.00000
    156       4.0173      0.00000
    157       4.0675      0.00000
    158       4.2392      0.00000
    159       4.2523      0.00000
    160       4.2761      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2849      1.00000
      2     -22.0793      1.00000
      3     -21.7179      1.00000
      4     -21.6861      1.00000
      5     -20.9806      1.00000
      6     -20.9400      1.00000
      7     -20.6130      1.00000
      8     -20.5763      1.00000
      9     -20.5701      1.00000
     10     -20.0337      1.00000
     11     -19.5044      1.00000
     12     -19.4927      1.00000
     13     -19.3078      1.00000
     14     -19.3026      1.00000
     15     -18.4485      1.00000
     16     -18.4119      1.00000
     17     -17.9231      1.00000
     18     -17.9137      1.00000
     19     -17.7624      1.00000
     20     -17.7266      1.00000
     21     -17.4366      1.00000
     22     -17.4292      1.00000
     23     -17.3415      1.00000
     24     -16.4635      1.00000
     25     -16.4623      1.00000
     26     -15.9678      1.00000
     27     -15.4151      1.00000
     28     -15.4096      1.00000
     29     -15.0973      1.00000
     30     -15.0939      1.00000
     31     -14.8555      1.00000
     32     -14.8479      1.00000
     33     -14.2908      1.00000
     34     -14.2580      1.00000
     35     -13.4371      1.00000
     36     -13.4046      1.00000
     37     -13.1779      1.00000
     38     -13.1746      1.00000
     39     -12.9826      1.00000
     40     -12.9777      1.00000
     41     -12.6134      1.00000
     42     -12.6103      1.00000
     43     -12.1981      1.00000
     44     -11.5771      1.00000
     45     -11.5434      1.00000
     46     -11.3112      1.00000
     47     -11.2884      1.00000
     48     -11.1423      1.00000
     49     -10.6767      1.00000
     50     -10.6607      1.00000
     51     -10.5537      1.00000
     52     -10.3237      1.00000
     53     -10.3181      1.00000
     54     -10.1699      1.00000
     55     -10.1156      1.00000
     56     -10.1130      1.00000
     57      -9.7988      1.00000
     58      -9.7651      1.00000
     59      -9.7524      1.00000
     60      -9.7004      1.00000
     61      -9.6972      1.00000
     62      -9.6627      1.00000
     63      -9.3546      1.00000
     64      -9.3518      1.00000
     65      -9.3159      1.00000
     66      -9.0415      1.00000
     67      -8.9624      1.00000
     68      -8.9499      1.00000
     69      -8.8000      1.00000
     70      -8.5952      1.00000
     71      -8.5581      1.00000
     72      -8.3988      1.00000
     73      -8.3653      1.00000
     74      -8.3247      1.00000
     75      -8.3072      1.00000
     76      -8.2590      1.00000
     77      -8.2574      1.00000
     78      -8.2366      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3866      1.00000
     83      -7.3495      1.00000
     84      -7.2309      1.00000
     85      -7.0967      1.00000
     86      -7.0391      1.00000
     87      -6.9342      1.00000
     88      -6.8483      1.00000
     89      -6.6127      1.00000
     90      -6.5588      1.00000
     91      -6.2698      1.00000
     92      -6.0440      1.00000
     93      -5.9518      1.00000
     94      -5.6629      1.00000
     95      -5.6228      1.00000
     96      -5.4633      1.00000
     97      -5.3201      1.00000
     98      -5.2790      1.00000
     99      -5.2140      1.00000
    100      -5.1940      1.00000
    101      -4.5085      1.00000
    102      -4.2077      1.00000
    103      -4.0593      1.00000
    104      -3.9892      1.00000
    105      -3.6943      1.00000
    106      -3.4980      1.00000
    107      -1.9462      0.00000
    108      -1.8963      0.00000
    109      -1.3390      0.00000
    110      -1.0849      0.00000
    111      -1.0582      0.00000
    112      -0.8003      0.00000
    113      -0.6776      0.00000
    114      -0.6468      0.00000
    115      -0.6072      0.00000
    116      -0.1080      0.00000
    117       0.2155      0.00000
    118       0.3291      0.00000
    119       0.6943      0.00000
    120       0.8877      0.00000
    121       1.1273      0.00000
    122       1.1992      0.00000
    123       1.3265      0.00000
    124       1.4211      0.00000
    125       1.5544      0.00000
    126       1.5764      0.00000
    127       1.6802      0.00000
    128       1.8080      0.00000
    129       1.8833      0.00000
    130       2.0559      0.00000
    131       2.1224      0.00000
    132       2.3259      0.00000
    133       2.3586      0.00000
    134       2.3963      0.00000
    135       2.5470      0.00000
    136       2.6309      0.00000
    137       2.7299      0.00000
    138       2.7562      0.00000
    139       2.8254      0.00000
    140       2.8823      0.00000
    141       3.0483      0.00000
    142       3.0579      0.00000
    143       3.1642      0.00000
    144       3.2647      0.00000
    145       3.3613      0.00000
    146       3.4158      0.00000
    147       3.4336      0.00000
    148       3.5669      0.00000
    149       3.5844      0.00000
    150       3.6012      0.00000
    151       3.6601      0.00000
    152       3.6753      0.00000
    153       3.7807      0.00000
    154       3.8012      0.00000
    155       3.8063      0.00000
    156       3.8936      0.00000
    157       3.9225      0.00000
    158       3.9940      0.00000
    159       4.2152      0.00000
    160       4.2257      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.9641      1.00000
      3     -21.8950      1.00000
      4     -21.3822      1.00000
      5     -21.3530      1.00000
      6     -20.8409      1.00000
      7     -20.7756      1.00000
      8     -20.6253      1.00000
      9     -20.0787      1.00000
     10     -20.0731      1.00000
     11     -19.7179      1.00000
     12     -19.6934      1.00000
     13     -18.9975      1.00000
     14     -18.9916      1.00000
     15     -18.6416      1.00000
     16     -18.6257      1.00000
     17     -18.4630      1.00000
     18     -17.6761      1.00000
     19     -17.6256      1.00000
     20     -17.6228      1.00000
     21     -17.5810      1.00000
     22     -17.1273      1.00000
     23     -17.1058      1.00000
     24     -16.9627      1.00000
     25     -16.0023      1.00000
     26     -15.9305      1.00000
     27     -15.5865      1.00000
     28     -15.5862      1.00000
     29     -15.2876      1.00000
     30     -14.8648      1.00000
     31     -14.8375      1.00000
     32     -14.5795      1.00000
     33     -14.5376      1.00000
     34     -14.1694      1.00000
     35     -14.1558      1.00000
     36     -13.1485      1.00000
     37     -13.1013      1.00000
     38     -13.0302      1.00000
     39     -13.0200      1.00000
     40     -12.7095      1.00000
     41     -12.7053      1.00000
     42     -12.3423      1.00000
     43     -12.3110      1.00000
     44     -11.6365      1.00000
     45     -11.6229      1.00000
     46     -11.5727      1.00000
     47     -10.9501      1.00000
     48     -10.9170      1.00000
     49     -10.6329      1.00000
     50     -10.6248      1.00000
     51     -10.5479      1.00000
     52     -10.5002      1.00000
     53     -10.4999      1.00000
     54     -10.4399      1.00000
     55     -10.3607      1.00000
     56     -10.1001      1.00000
     57      -9.9042      1.00000
     58      -9.6088      1.00000
     59      -9.5565      1.00000
     60      -9.4530      1.00000
     61      -9.4126      1.00000
     62      -9.4057      1.00000
     63      -9.3776      1.00000
     64      -9.3772      1.00000
     65      -9.2880      1.00000
     66      -9.1691      1.00000
     67      -9.1435      1.00000
     68      -9.1152      1.00000
     69      -8.8652      1.00000
     70      -8.8576      1.00000
     71      -8.8157      1.00000
     72      -8.5975      1.00000
     73      -8.4805      1.00000
     74      -8.1991      1.00000
     75      -8.1637      1.00000
     76      -8.0093      1.00000
     77      -7.9640      1.00000
     78      -7.8507      1.00000
     79      -7.8406      1.00000
     80      -7.7044      1.00000
     81      -7.6970      1.00000
     82      -7.6224      1.00000
     83      -7.4490      1.00000
     84      -7.3009      1.00000
     85      -7.2533      1.00000
     86      -6.9065      1.00000
     87      -6.8928      1.00000
     88      -6.5890      1.00000
     89      -6.5515      1.00000
     90      -6.4062      1.00000
     91      -6.2537      1.00000
     92      -6.2330      1.00000
     93      -6.2055      1.00000
     94      -6.0232      1.00000
     95      -5.5502      1.00000
     96      -5.4891      1.00000
     97      -5.3505      1.00000
     98      -5.2198      1.00000
     99      -4.9795      1.00000
    100      -4.7327      1.00000
    101      -4.6781      1.00000
    102      -4.3875      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5464      1.00000
    106      -3.5100      1.00000
    107      -2.2563      0.00000
    108      -1.4566      0.00000
    109      -1.3712      0.00000
    110      -1.2418      0.00000
    111      -1.0979      0.00000
    112      -0.9450      0.00000
    113      -0.8637      0.00000
    114      -0.8032      0.00000
    115      -0.1393      0.00000
    116       0.1111      0.00000
    117       0.2407      0.00000
    118       0.3777      0.00000
    119       0.6518      0.00000
    120       0.8359      0.00000
    121       0.9366      0.00000
    122       1.0639      0.00000
    123       1.2336      0.00000
    124       1.4482      0.00000
    125       1.5513      0.00000
    126       1.7664      0.00000
    127       1.7933      0.00000
    128       1.8734      0.00000
    129       1.9702      0.00000
    130       2.0441      0.00000
    131       2.1768      0.00000
    132       2.1930      0.00000
    133       2.4110      0.00000
    134       2.4581      0.00000
    135       2.5286      0.00000
    136       2.6043      0.00000
    137       2.6376      0.00000
    138       2.6960      0.00000
    139       2.7790      0.00000
    140       2.8351      0.00000
    141       2.9500      0.00000
    142       3.0841      0.00000
    143       3.2021      0.00000
    144       3.2082      0.00000
    145       3.2565      0.00000
    146       3.3257      0.00000
    147       3.3310      0.00000
    148       3.4672      0.00000
    149       3.5004      0.00000
    150       3.6982      0.00000
    151       3.7113      0.00000
    152       3.7265      0.00000
    153       3.8581      0.00000
    154       3.9127      0.00000
    155       3.9474      0.00000
    156       3.9810      0.00000
    157       4.0140      0.00000
    158       4.0342      0.00000
    159       4.0506      0.00000
    160       4.0680      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2119      1.00000
      2     -22.1189      1.00000
      3     -21.9582      1.00000
      4     -21.4057      1.00000
      5     -21.0510      1.00000
      6     -21.0151      1.00000
      7     -20.5019      1.00000
      8     -20.4625      1.00000
      9     -20.2961      1.00000
     10     -20.2768      1.00000
     11     -19.9587      1.00000
     12     -19.8930      1.00000
     13     -18.8835      1.00000
     14     -18.8148      1.00000
     15     -18.3538      1.00000
     16     -18.3076      1.00000
     17     -18.1540      1.00000
     18     -18.1368      1.00000
     19     -17.8276      1.00000
     20     -17.7901      1.00000
     21     -17.2525      1.00000
     22     -17.2425      1.00000
     23     -17.1655      1.00000
     24     -17.1337      1.00000
     25     -16.1110      1.00000
     26     -15.8865      1.00000
     27     -15.8711      1.00000
     28     -15.8350      1.00000
     29     -15.2371      1.00000
     30     -14.5559      1.00000
     31     -14.5280      1.00000
     32     -14.2808      1.00000
     33     -13.9645      1.00000
     34     -13.9570      1.00000
     35     -13.8209      1.00000
     36     -13.8051      1.00000
     37     -13.6154      1.00000
     38     -13.5716      1.00000
     39     -13.3710      1.00000
     40     -12.6354      1.00000
     41     -12.1816      1.00000
     42     -12.1336      1.00000
     43     -12.0730      1.00000
     44     -12.0207      1.00000
     45     -11.6701      1.00000
     46     -11.6566      1.00000
     47     -11.1395      1.00000
     48     -11.1189      1.00000
     49     -10.7954      1.00000
     50     -10.7319      1.00000
     51     -10.5294      1.00000
     52     -10.2091      1.00000
     53     -10.2064      1.00000
     54     -10.1654      1.00000
     55     -10.0184      1.00000
     56     -10.0049      1.00000
     57      -9.9913      1.00000
     58      -9.8018      1.00000
     59      -9.7980      1.00000
     60      -9.7627      1.00000
     61      -9.7579      1.00000
     62      -9.4552      1.00000
     63      -9.4180      1.00000
     64      -9.0810      1.00000
     65      -9.0729      1.00000
     66      -9.0413      1.00000
     67      -8.9558      1.00000
     68      -8.8778      1.00000
     69      -8.7126      1.00000
     70      -8.7003      1.00000
     71      -8.5664      1.00000
     72      -8.5435      1.00000
     73      -8.4998      1.00000
     74      -8.4630      1.00000
     75      -8.4538      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0438      1.00000
     79      -7.9160      1.00000
     80      -7.8635      1.00000
     81      -7.6152      1.00000
     82      -7.5489      1.00000
     83      -7.4902      1.00000
     84      -7.2681      1.00000
     85      -6.9955      1.00000
     86      -6.9233      1.00000
     87      -6.8822      1.00000
     88      -6.5327      1.00000
     89      -6.4874      1.00000
     90      -6.4615      1.00000
     91      -6.4105      1.00000
     92      -5.9841      1.00000
     93      -5.8976      1.00000
     94      -5.7847      1.00000
     95      -5.7598      1.00000
     96      -5.4322      1.00000
     97      -5.3294      1.00000
     98      -5.2304      1.00000
     99      -5.2178      1.00000
    100      -5.1885      1.00000
    101      -4.6922      1.00000
    102      -4.4215      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5291      1.00000
    106      -3.2742      1.00000
    107      -2.5312      0.00000
    108      -1.4581      0.00000
    109      -1.2667      0.00000
    110      -1.2029      0.00000
    111      -1.1725      0.00000
    112      -0.7196      0.00000
    113      -0.5035      0.00000
    114      -0.4119      0.00000
    115      -0.3395      0.00000
    116      -0.1459      0.00000
    117      -0.0028      0.00000
    118       0.1939      0.00000
    119       0.5613      0.00000
    120       0.6126      0.00000
    121       0.7964      0.00000
    122       0.9071      0.00000
    123       1.1327      0.00000
    124       1.4940      0.00000
    125       1.6351      0.00000
    126       1.8542      0.00000
    127       1.9275      0.00000
    128       2.1061      0.00000
    129       2.1163      0.00000
    130       2.1497      0.00000
    131       2.1869      0.00000
    132       2.2799      0.00000
    133       2.3385      0.00000
    134       2.4679      0.00000
    135       2.5806      0.00000
    136       2.6581      0.00000
    137       2.8550      0.00000
    138       2.8716      0.00000
    139       2.8939      0.00000
    140       3.0187      0.00000
    141       3.0265      0.00000
    142       3.1408      0.00000
    143       3.1807      0.00000
    144       3.2341      0.00000
    145       3.2746      0.00000
    146       3.2847      0.00000
    147       3.3006      0.00000
    148       3.3470      0.00000
    149       3.4238      0.00000
    150       3.4446      0.00000
    151       3.5531      0.00000
    152       3.6231      0.00000
    153       3.7063      0.00000
    154       3.7304      0.00000
    155       3.7734      0.00000
    156       3.8949      0.00000
    157       3.9415      0.00000
    158       4.0061      0.00000
    159       4.1325      0.00000
    160       4.2246      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3187      1.00000
      2     -21.9657      1.00000
      3     -21.8935      1.00000
      4     -21.3859      1.00000
      5     -21.3495      1.00000
      6     -20.8407      1.00000
      7     -20.7743      1.00000
      8     -20.6262      1.00000
      9     -20.0907      1.00000
     10     -20.0619      1.00000
     11     -19.7195      1.00000
     12     -19.6907      1.00000
     13     -19.0108      1.00000
     14     -18.9797      1.00000
     15     -18.6507      1.00000
     16     -18.6180      1.00000
     17     -18.4616      1.00000
     18     -17.6613      1.00000
     19     -17.6476      1.00000
     20     -17.6114      1.00000
     21     -17.5789      1.00000
     22     -17.1380      1.00000
     23     -17.0981      1.00000
     24     -16.9664      1.00000
     25     -16.0087      1.00000
     26     -15.9239      1.00000
     27     -15.5998      1.00000
     28     -15.5762      1.00000
     29     -15.2803      1.00000
     30     -14.8774      1.00000
     31     -14.8304      1.00000
     32     -14.5753      1.00000
     33     -14.5375      1.00000
     34     -14.1644      1.00000
     35     -14.1603      1.00000
     36     -13.1627      1.00000
     37     -13.0969      1.00000
     38     -13.0238      1.00000
     39     -13.0190      1.00000
     40     -12.7185      1.00000
     41     -12.6952      1.00000
     42     -12.3414      1.00000
     43     -12.3142      1.00000
     44     -11.6318      1.00000
     45     -11.6226      1.00000
     46     -11.5707      1.00000
     47     -10.9412      1.00000
     48     -10.9234      1.00000
     49     -10.6695      1.00000
     50     -10.5902      1.00000
     51     -10.5736      1.00000
     52     -10.5011      1.00000
     53     -10.4897      1.00000
     54     -10.4394      1.00000
     55     -10.3568      1.00000
     56     -10.1044      1.00000
     57      -9.8985      1.00000
     58      -9.6092      1.00000
     59      -9.5520      1.00000
     60      -9.4548      1.00000
     61      -9.4181      1.00000
     62      -9.4099      1.00000
     63      -9.3799      1.00000
     64      -9.3728      1.00000
     65      -9.2681      1.00000
     66      -9.1653      1.00000
     67      -9.1413      1.00000
     68      -9.1159      1.00000
     69      -8.8663      1.00000
     70      -8.8602      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1932      1.00000
     75      -8.1706      1.00000
     76      -8.0762      1.00000
     77      -7.8580      1.00000
     78      -7.8372      1.00000
     79      -7.8242      1.00000
     80      -7.7106      1.00000
     81      -7.6962      1.00000
     82      -7.5977      1.00000
     83      -7.5301      1.00000
     84      -7.3507      1.00000
     85      -7.1680      1.00000
     86      -6.9052      1.00000
     87      -6.8959      1.00000
     88      -6.5928      1.00000
     89      -6.5516      1.00000
     90      -6.4062      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2010      1.00000
     94      -6.0042      1.00000
     95      -5.5320      1.00000
     96      -5.4654      1.00000
     97      -5.3143      1.00000
     98      -5.2097      1.00000
     99      -5.0470      1.00000
    100      -4.7236      1.00000
    101      -4.6717      1.00000
    102      -4.4239      1.00000
    103      -4.1948      1.00000
    104      -3.8428      1.00000
    105      -3.6345      1.00000
    106      -3.4163      1.00000
    107      -2.2925      0.00000
    108      -1.5093      0.00000
    109      -1.2700      0.00000
    110      -1.2623      0.00000
    111      -1.0343      0.00000
    112      -0.9778      0.00000
    113      -0.8681      0.00000
    114      -0.7998      0.00000
    115      -0.2616      0.00000
    116       0.2044      0.00000
    117       0.2396      0.00000
    118       0.3600      0.00000
    119       0.6910      0.00000
    120       0.8942      0.00000
    121       0.9239      0.00000
    122       1.0406      0.00000
    123       1.1671      0.00000
    124       1.5099      0.00000
    125       1.5601      0.00000
    126       1.7110      0.00000
    127       1.7788      0.00000
    128       1.8336      0.00000
    129       1.9626      0.00000
    130       1.9855      0.00000
    131       2.1836      0.00000
    132       2.2627      0.00000
    133       2.4160      0.00000
    134       2.4643      0.00000
    135       2.5262      0.00000
    136       2.6007      0.00000
    137       2.6188      0.00000
    138       2.6994      0.00000
    139       2.7587      0.00000
    140       2.8641      0.00000
    141       3.0365      0.00000
    142       3.0823      0.00000
    143       3.1892      0.00000
    144       3.2451      0.00000
    145       3.2582      0.00000
    146       3.2979      0.00000
    147       3.3568      0.00000
    148       3.4523      0.00000
    149       3.5210      0.00000
    150       3.6921      0.00000
    151       3.7173      0.00000
    152       3.7478      0.00000
    153       3.8309      0.00000
    154       3.8909      0.00000
    155       3.9337      0.00000
    156       3.9796      0.00000
    157       4.0092      0.00000
    158       4.0401      0.00000
    159       4.0473      0.00000
    160       4.0838      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8321      1.00000
      3     -21.6427      1.00000
      4     -21.6077      1.00000
      5     -21.2800      1.00000
      6     -21.2330      1.00000
      7     -21.0577      1.00000
      8     -20.1726      1.00000
      9     -20.1264      1.00000
     10     -19.6179      1.00000
     11     -19.5917      1.00000
     12     -19.4167      1.00000
     13     -19.0956      1.00000
     14     -19.0569      1.00000
     15     -19.0525      1.00000
     16     -19.0397      1.00000
     17     -18.3676      1.00000
     18     -18.3479      1.00000
     19     -18.0175      1.00000
     20     -17.0731      1.00000
     21     -17.0243      1.00000
     22     -16.9503      1.00000
     23     -16.9365      1.00000
     24     -16.4753      1.00000
     25     -16.4634      1.00000
     26     -15.6101      1.00000
     27     -15.6096      1.00000
     28     -15.2505      1.00000
     29     -15.2384      1.00000
     30     -15.1923      1.00000
     31     -15.1022      1.00000
     32     -15.0692      1.00000
     33     -14.6988      1.00000
     34     -14.6978      1.00000
     35     -13.7254      1.00000
     36     -13.7253      1.00000
     37     -13.2359      1.00000
     38     -12.6247      1.00000
     39     -12.5805      1.00000
     40     -12.4555      1.00000
     41     -12.4501      1.00000
     42     -12.1053      1.00000
     43     -12.1004      1.00000
     44     -11.7219      1.00000
     45     -11.6833      1.00000
     46     -11.2456      1.00000
     47     -11.2249      1.00000
     48     -11.0182      1.00000
     49     -11.0065      1.00000
     50     -10.9280      1.00000
     51     -10.8994      1.00000
     52     -10.6377      1.00000
     53     -10.1729      1.00000
     54     -10.1499      1.00000
     55     -10.0852      1.00000
     56      -9.9927      1.00000
     57      -9.6966      1.00000
     58      -9.6901      1.00000
     59      -9.6710      1.00000
     60      -9.5915      1.00000
     61      -9.5675      1.00000
     62      -9.5543      1.00000
     63      -9.3132      1.00000
     64      -9.3005      1.00000
     65      -9.2837      1.00000
     66      -9.2431      1.00000
     67      -9.1227      1.00000
     68      -9.1130      1.00000
     69      -9.1113      1.00000
     70      -8.9401      1.00000
     71      -8.8753      1.00000
     72      -8.6049      1.00000
     73      -8.5862      1.00000
     74      -8.2712      1.00000
     75      -8.1016      1.00000
     76      -7.8676      1.00000
     77      -7.8440      1.00000
     78      -7.7907      1.00000
     79      -7.7650      1.00000
     80      -7.7560      1.00000
     81      -7.4473      1.00000
     82      -7.3350      1.00000
     83      -7.3235      1.00000
     84      -7.2664      1.00000
     85      -7.1628      1.00000
     86      -7.0148      1.00000
     87      -6.9867      1.00000
     88      -6.7179      1.00000
     89      -6.6908      1.00000
     90      -6.6319      1.00000
     91      -6.5908      1.00000
     92      -6.1179      1.00000
     93      -6.0590      1.00000
     94      -6.0448      1.00000
     95      -6.0286      1.00000
     96      -5.7481      1.00000
     97      -4.9748      1.00000
     98      -4.8397      1.00000
     99      -4.7091      1.00000
    100      -4.6735      1.00000
    101      -4.4837      1.00000
    102      -4.3523      1.00000
    103      -4.1119      1.00000
    104      -4.0556      1.00000
    105      -3.7550      1.00000
    106      -3.4654      1.00000
    107      -1.9506      0.00000
    108      -1.7711      0.00000
    109      -1.4798      0.00000
    110      -1.3555      0.00000
    111      -1.3359      0.00000
    112      -1.2926      0.00000
    113      -0.6785      0.00000
    114      -0.4719      0.00000
    115      -0.2354      0.00000
    116       0.0516      0.00000
    117       0.5877      0.00000
    118       0.6924      0.00000
    119       0.7701      0.00000
    120       1.0228      0.00000
    121       1.0970      0.00000
    122       1.1767      0.00000
    123       1.2501      0.00000
    124       1.3349      0.00000
    125       1.4337      0.00000
    126       1.6000      0.00000
    127       1.7626      0.00000
    128       1.8429      0.00000
    129       1.8599      0.00000
    130       1.8877      0.00000
    131       2.0449      0.00000
    132       2.2175      0.00000
    133       2.2331      0.00000
    134       2.2865      0.00000
    135       2.4802      0.00000
    136       2.6187      0.00000
    137       2.6411      0.00000
    138       2.7535      0.00000
    139       2.7950      0.00000
    140       2.8363      0.00000
    141       2.8480      0.00000
    142       2.8696      0.00000
    143       2.9459      0.00000
    144       3.0862      0.00000
    145       3.3148      0.00000
    146       3.3548      0.00000
    147       3.4056      0.00000
    148       3.4183      0.00000
    149       3.4241      0.00000
    150       3.6025      0.00000
    151       3.6492      0.00000
    152       3.6772      0.00000
    153       3.7312      0.00000
    154       3.8960      0.00000
    155       3.9251      0.00000
    156       3.9559      0.00000
    157       4.1069      0.00000
    158       4.2061      0.00000
    159       4.2570      0.00000
    160       4.2838      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2110      1.00000
      2     -22.1202      1.00000
      3     -21.9579      1.00000
      4     -21.4058      1.00000
      5     -21.0472      1.00000
      6     -21.0189      1.00000
      7     -20.4971      1.00000
      8     -20.4672      1.00000
      9     -20.2873      1.00000
     10     -20.2853      1.00000
     11     -19.9576      1.00000
     12     -19.8945      1.00000
     13     -18.8842      1.00000
     14     -18.8166      1.00000
     15     -18.3385      1.00000
     16     -18.3195      1.00000
     17     -18.1498      1.00000
     18     -18.1424      1.00000
     19     -17.8166      1.00000
     20     -17.7985      1.00000
     21     -17.2587      1.00000
     22     -17.2391      1.00000
     23     -17.1608      1.00000
     24     -17.1360      1.00000
     25     -16.1175      1.00000
     26     -15.8812      1.00000
     27     -15.8701      1.00000
     28     -15.8409      1.00000
     29     -15.2314      1.00000
     30     -14.5513      1.00000
     31     -14.5329      1.00000
     32     -14.2761      1.00000
     33     -13.9756      1.00000
     34     -13.9519      1.00000
     35     -13.8253      1.00000
     36     -13.8030      1.00000
     37     -13.6044      1.00000
     38     -13.5792      1.00000
     39     -13.3712      1.00000
     40     -12.6396      1.00000
     41     -12.1691      1.00000
     42     -12.1428      1.00000
     43     -12.0685      1.00000
     44     -12.0217      1.00000
     45     -11.6654      1.00000
     46     -11.6608      1.00000
     47     -11.1369      1.00000
     48     -11.1258      1.00000
     49     -10.7905      1.00000
     50     -10.7344      1.00000
     51     -10.5361      1.00000
     52     -10.2089      1.00000
     53     -10.2028      1.00000
     54     -10.1711      1.00000
     55     -10.0233      1.00000
     56      -9.9948      1.00000
     57      -9.9907      1.00000
     58      -9.8055      1.00000
     59      -9.7965      1.00000
     60      -9.7649      1.00000
     61      -9.7569      1.00000
     62      -9.4544      1.00000
     63      -9.4179      1.00000
     64      -9.0852      1.00000
     65      -9.0463      1.00000
     66      -9.0260      1.00000
     67      -8.9698      1.00000
     68      -8.8982      1.00000
     69      -8.7086      1.00000
     70      -8.6994      1.00000
     71      -8.5600      1.00000
     72      -8.5493      1.00000
     73      -8.4782      1.00000
     74      -8.4599      1.00000
     75      -8.4571      1.00000
     76      -8.3087      1.00000
     77      -8.0955      1.00000
     78      -8.0896      1.00000
     79      -7.9269      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5369      1.00000
     83      -7.4437      1.00000
     84      -7.3142      1.00000
     85      -6.9942      1.00000
     86      -6.9195      1.00000
     87      -6.8824      1.00000
     88      -6.5277      1.00000
     89      -6.5149      1.00000
     90      -6.4809      1.00000
     91      -6.4208      1.00000
     92      -5.9273      1.00000
     93      -5.9054      1.00000
     94      -5.7890      1.00000
     95      -5.7751      1.00000
     96      -5.3695      1.00000
     97      -5.3633      1.00000
     98      -5.2205      1.00000
     99      -5.2155      1.00000
    100      -5.1989      1.00000
    101      -4.7204      1.00000
    102      -4.4423      1.00000
    103      -4.1909      1.00000
    104      -3.8204      1.00000
    105      -3.5655      1.00000
    106      -3.2215      1.00000
    107      -2.5626      0.00000
    108      -1.4632      0.00000
    109      -1.2673      0.00000
    110      -1.1852      0.00000
    111      -1.1837      0.00000
    112      -0.6447      0.00000
    113      -0.5514      0.00000
    114      -0.4147      0.00000
    115      -0.3474      0.00000
    116      -0.0776      0.00000
    117      -0.0633      0.00000
    118       0.1260      0.00000
    119       0.5931      0.00000
    120       0.6265      0.00000
    121       0.8553      0.00000
    122       0.9859      0.00000
    123       1.0035      0.00000
    124       1.4943      0.00000
    125       1.6840      0.00000
    126       1.7665      0.00000
    127       1.8616      0.00000
    128       2.1144      0.00000
    129       2.1442      0.00000
    130       2.1889      0.00000
    131       2.2103      0.00000
    132       2.2562      0.00000
    133       2.3531      0.00000
    134       2.4944      0.00000
    135       2.5102      0.00000
    136       2.6658      0.00000
    137       2.8526      0.00000
    138       2.8594      0.00000
    139       2.9542      0.00000
    140       3.0063      0.00000
    141       3.0409      0.00000
    142       3.1357      0.00000
    143       3.1930      0.00000
    144       3.2456      0.00000
    145       3.2525      0.00000
    146       3.2805      0.00000
    147       3.3034      0.00000
    148       3.3547      0.00000
    149       3.4195      0.00000
    150       3.5500      0.00000
    151       3.5658      0.00000
    152       3.6475      0.00000
    153       3.6631      0.00000
    154       3.7022      0.00000
    155       3.7278      0.00000
    156       3.8973      0.00000
    157       3.9614      0.00000
    158       4.0380      0.00000
    159       4.0772      0.00000
    160       4.1858      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2845      1.00000
      2     -22.0799      1.00000
      3     -21.7215      1.00000
      4     -21.6822      1.00000
      5     -20.9839      1.00000
      6     -20.9362      1.00000
      7     -20.6125      1.00000
      8     -20.5803      1.00000
      9     -20.5667      1.00000
     10     -20.0333      1.00000
     11     -19.5143      1.00000
     12     -19.4842      1.00000
     13     -19.3123      1.00000
     14     -19.2993      1.00000
     15     -18.4505      1.00000
     16     -18.4074      1.00000
     17     -17.9283      1.00000
     18     -17.9079      1.00000
     19     -17.7668      1.00000
     20     -17.7218      1.00000
     21     -17.4423      1.00000
     22     -17.4238      1.00000
     23     -17.3389      1.00000
     24     -16.4714      1.00000
     25     -16.4612      1.00000
     26     -15.9714      1.00000
     27     -15.4115      1.00000
     28     -15.4105      1.00000
     29     -15.0964      1.00000
     30     -15.0934      1.00000
     31     -14.8536      1.00000
     32     -14.8412      1.00000
     33     -14.2984      1.00000
     34     -14.2547      1.00000
     35     -13.4448      1.00000
     36     -13.4010      1.00000
     37     -13.1755      1.00000
     38     -13.1741      1.00000
     39     -12.9864      1.00000
     40     -12.9775      1.00000
     41     -12.6110      1.00000
     42     -12.6089      1.00000
     43     -12.1973      1.00000
     44     -11.5798      1.00000
     45     -11.5387      1.00000
     46     -11.3137      1.00000
     47     -11.2834      1.00000
     48     -11.1425      1.00000
     49     -10.6926      1.00000
     50     -10.6632      1.00000
     51     -10.5475      1.00000
     52     -10.3228      1.00000
     53     -10.3151      1.00000
     54     -10.1762      1.00000
     55     -10.1215      1.00000
     56     -10.1082      1.00000
     57      -9.8120      1.00000
     58      -9.7530      1.00000
     59      -9.7525      1.00000
     60      -9.7027      1.00000
     61      -9.6988      1.00000
     62      -9.6473      1.00000
     63      -9.3530      1.00000
     64      -9.3516      1.00000
     65      -9.3180      1.00000
     66      -9.0282      1.00000
     67      -8.9619      1.00000
     68      -8.9581      1.00000
     69      -8.7758      1.00000
     70      -8.5917      1.00000
     71      -8.5886      1.00000
     72      -8.4241      1.00000
     73      -8.3500      1.00000
     74      -8.3226      1.00000
     75      -8.3024      1.00000
     76      -8.2658      1.00000
     77      -8.2542      1.00000
     78      -8.2394      1.00000
     79      -7.9217      1.00000
     80      -7.7341      1.00000
     81      -7.3799      1.00000
     82      -7.3503      1.00000
     83      -7.3237      1.00000
     84      -7.2176      1.00000
     85      -7.1605      1.00000
     86      -7.0654      1.00000
     87      -6.9610      1.00000
     88      -6.9054      1.00000
     89      -6.6134      1.00000
     90      -6.5569      1.00000
     91      -6.2709      1.00000
     92      -5.9968      1.00000
     93      -5.9596      1.00000
     94      -5.6754      1.00000
     95      -5.6488      1.00000
     96      -5.3875      1.00000
     97      -5.3152      1.00000
     98      -5.2941      1.00000
     99      -5.2121      1.00000
    100      -5.2005      1.00000
    101      -4.5115      1.00000
    102      -4.3388      1.00000
    103      -3.9965      1.00000
    104      -3.8860      1.00000
    105      -3.7929      1.00000
    106      -3.4433      1.00000
    107      -2.0345      0.00000
    108      -1.8634      0.00000
    109      -1.2176      0.00000
    110      -1.1842      0.00000
    111      -1.0358      0.00000
    112      -0.7722      0.00000
    113      -0.6773      0.00000
    114      -0.6599      0.00000
    115      -0.6096      0.00000
    116      -0.1017      0.00000
    117       0.2226      0.00000
    118       0.2397      0.00000
    119       0.7698      0.00000
    120       0.9841      0.00000
    121       1.0739      0.00000
    122       1.2416      0.00000
    123       1.2511      0.00000
    124       1.3410      0.00000
    125       1.5786      0.00000
    126       1.5852      0.00000
    127       1.7026      0.00000
    128       1.7978      0.00000
    129       1.9467      0.00000
    130       1.9623      0.00000
    131       2.0832      0.00000
    132       2.2931      0.00000
    133       2.3420      0.00000
    134       2.4165      0.00000
    135       2.5438      0.00000
    136       2.6289      0.00000
    137       2.7648      0.00000
    138       2.8284      0.00000
    139       2.8436      0.00000
    140       2.8674      0.00000
    141       3.0472      0.00000
    142       3.1006      0.00000
    143       3.1530      0.00000
    144       3.2216      0.00000
    145       3.3745      0.00000
    146       3.4139      0.00000
    147       3.5048      0.00000
    148       3.5510      0.00000
    149       3.5906      0.00000
    150       3.6110      0.00000
    151       3.6482      0.00000
    152       3.7356      0.00000
    153       3.7451      0.00000
    154       3.7770      0.00000
    155       3.8152      0.00000
    156       3.8765      0.00000
    157       4.0210      0.00000
    158       4.0867      0.00000
    159       4.1694      0.00000
    160       4.2121      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0417   -7.3901    4.1982   -1.2758   -0.2386   17.5938    0.1473   -0.5324    0.6338   -0.4648
x    -3.0926   -0.0374   -0.0631    0.0616   -0.0091   -2.9773   -0.0109   -0.0070    0.0049    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0417    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0940   -0.0087    0.0374    0.0377
y    -0.0458   -3.2478   -0.5380   -0.1636   -1.1810   -0.6054
z   204.0417    1.1260   -0.2804    0.0408    0.0090    0.0616    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0777    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1654
z    -0.2831    0.1873   -0.0390    0.0470   -0.1050    0.0013
 total charge-density along one line
x   212.0000  -10.2204    6.1463   -2.0858   -0.4744   19.5111   -0.9959    0.4742   -0.0449   -0.1261
x    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2204    6.1463   -2.0858   -0.4744   19.5112   -0.9959    0.4742   -0.0449   -0.1261
y    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4925  189.2923 -170.3678  153.6507 -139.4373  125.4334 -110.1198   93.9731  -78.3592
z    64.1499  -51.4976   40.4325  -31.2272   24.1310  -18.9484   15.0350  -11.7219    8.7173   -6.1226
z     4.1323   -2.7605    1.8231   -1.1123    0.5408   -0.1279   -0.1105    0.2273   -0.3090    0.4000
z    -0.4767    0.4932   -0.4398    0.3547   -0.2860    0.2512   -0.2335    0.2088   -0.1709    0.1317
z    -0.1037    0.0880   -0.0768    0.0637   -0.0490    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0074    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.030   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.585  -0.238   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.368  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.263   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.261   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.649
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.781   0.000   2.640
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.783   0.000   2.647
 28        0.864   1.785   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.785   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.646
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.860   1.781   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.649
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.870  89.435   8.029 142.333
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  113.57: CPU time   57.26
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  441.41: CPU time  221.15
    STRESS:  VPU time 1321.76: CPU time  665.15
    FORCOR:  VPU time    8.60: CPU time    8.60
    FORHAR:  VPU time    2.26: CPU time    2.26
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force =-0.4192746E-08[-0.418E-08,-0.420E-08]  d Energy =-0.2219167E-08-0.197E-08
 d Force =-0.2494660E-03[-0.249E-03,-0.249E-03]  d Ewald  = 0.2215514E-02-0.246E-02


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726418 eV

  energy  without entropy=     -471.726418  energy(sigma->0) =     -471.726418
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40850.02  40804.52 -47548.84    -39.40      0.00      0.00
  Hartree  40274.04  40254.95 -39532.79    -16.53      0.00      0.00
  E(xc)     -779.46   -779.75   -807.39     -0.25      0.00      0.00
  Local   -83408.04 -83352.48  84396.36     48.11      0.00      0.00
  n-local   -216.85   -215.73   -203.41      0.70      0.00      0.00
  augment     20.05     22.04     17.81      1.73      0.00      0.00
  Kinetic   3162.58   3176.29   3584.10      3.52      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.00      0.05     -0.22      0.04      0.00      0.00
  in kB        0.00      0.03     -0.13      0.02      0.00      0.00
  external pressure =       -0.03 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345139480  0.000689964  0.000000000     0.081000927  0.046759938  0.000000000
    -6.171978856 10.691545464  0.000000000    -0.000005227  0.093528830  0.000000000
     0.000000000  0.000000000 19.986395054     0.000000000  0.000000000  0.050034036

  length of vectors
    12.345139500 12.345139424 19.986395054     0.093528830  0.093528830  0.050034036


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.477E-05 -.490E-04 -.951E+03   0.448E-05 -.278E-04 0.960E+03   0.339E-20 0.170E-20 -.869E+01   -.634E-10 0.648E-10 -.875E-04
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   -.747E-06 -.313E-06 -.559E-05
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   0.747E-06 0.313E-06 -.559E-05
   -.206E+01 0.119E+01 0.163E+02   0.206E+01 -.119E+01 -.162E+02   -.327E-02 0.189E-02 -.242E-01   0.900E-06 -.350E-05 0.561E-05
   0.616E+01 0.684E+01 0.194E+02   -.616E+01 -.686E+01 -.193E+02   0.844E-03 0.215E-01 -.272E-01   -.276E-05 0.172E-05 0.597E-05
   0.112E+02 0.510E+01 0.162E+02   -.112E+02 -.510E+01 -.161E+02   0.202E-01 0.844E-02 -.479E-01   -.218E-05 0.688E-06 0.789E-05
   0.471E+01 -.883E+00 0.126E+02   -.473E+01 0.892E+00 -.126E+02   0.146E-01 -.735E-02 -.175E-01   -.193E-05 -.269E-05 0.900E-05
   -.308E+01 -.252E+01 0.126E+02   0.308E+01 0.252E+01 -.126E+02   -.140E-02 0.273E-02 -.130E-01   0.763E-06 -.573E-05 0.687E-05
   0.645E+00 0.393E+01 0.126E+02   -.646E+00 -.393E+01 -.126E+02   -.307E-02 -.154E-03 -.130E-01   -.195E-06 -.398E-05 0.360E-05
   0.242E+01 0.189E+02 0.240E+02   -.242E+01 -.190E+02 -.240E+02   -.233E-02 0.103E+00 -.486E-01   -.219E-05 -.548E-05 0.405E-05
   0.226E+02 0.214E+02 0.423E+02   -.227E+02 -.216E+02 -.422E+02   0.771E-01 0.262E+00 -.607E-01   -.229E-05 -.294E-05 0.428E-05
   0.268E+02 -.343E+01 0.256E+02   -.271E+02 0.355E+01 -.256E+02   0.269E+00 -.109E+00 -.338E-01   -.781E-05 -.227E-05 0.677E-05
   0.914E+01 -.527E+01 0.136E+02   -.918E+01 0.530E+01 -.136E+02   0.422E-01 -.244E-01 -.121E-01   -.427E-05 -.395E-05 0.557E-05
   0.312E+01 -.364E+01 0.126E+02   -.314E+01 0.365E+01 -.126E+02   0.137E-01 -.899E-02 -.175E-01   -.880E-06 -.127E-05 0.143E-05
   -.593E+01 0.136E+02 0.161E+02   0.593E+01 -.137E+02 -.161E+02   -.114E-02 0.715E-01 -.520E-01   0.140E-05 -.853E-06 0.211E-05
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.315E-01 0.613E+00 0.294E+00   0.120E-05 -.308E-05 -.607E-06
   0.236E+02 -.136E+02 0.940E+02   -.243E+02 0.140E+02 -.961E+02   0.636E+00 -.367E+00 0.205E+01   -.356E-05 -.616E-06 -.208E-05
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.229E+00 -.178E+00 -.338E-01   -.422E-05 0.153E-06 0.241E-05
   0.119E+01 -.122E+02 0.162E+02   -.119E+01 0.123E+02 -.161E+02   0.280E-02 -.217E-01 -.479E-01   0.153E-05 0.410E-06 0.294E-05
   -.414E+01 0.192E+01 0.116E+02   0.414E+01 -.193E+01 -.116E+02   -.268E-03 0.997E-02 -.439E-01   0.269E-05 0.980E-06 0.308E-05
   -.193E+02 0.111E+02 0.217E+02   0.193E+02 -.112E+02 -.217E+02   -.506E-01 0.292E-01 -.433E-01   0.425E-05 0.131E-05 0.551E-05
   -.373E+02 -.785E+01 0.478E+02   0.378E+02 0.813E+01 -.481E+02   -.546E+00 -.279E+00 0.294E+00   0.658E-05 -.221E-06 0.220E-05
   -.718E+01 -.303E+02 0.423E+02   0.736E+01 0.305E+02 -.422E+02   -.188E+00 -.198E+00 -.607E-01   0.465E-05 -.108E-05 0.258E-05
   -.285E+01 -.876E+01 0.194E+02   0.286E+01 0.877E+01 -.193E+02   -.182E-01 -.115E-01 -.272E-01   -.103E-05 -.385E-06 0.530E-05
   0.139E+01 -.801E+00 0.134E+02   -.139E+01 0.803E+00 -.134E+02   0.124E-03 -.715E-04 -.179E-01   0.136E-05 0.135E-05 0.529E-05
   -.374E+01 0.263E+01 0.116E+02   0.374E+01 -.262E+01 -.116E+02   -.876E-02 -.475E-02 -.439E-01   0.236E-05 0.199E-05 0.736E-05
   -.148E+02 -.169E+01 0.161E+02   0.148E+02 0.172E+01 -.161E+02   -.625E-01 -.347E-01 -.520E-01   0.331E-05 -.230E-05 0.903E-05
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.905E-01 -.495E-01 -.486E-01   0.549E-05 -.677E-06 0.666E-05
   0.285E+01 0.876E+01 0.194E+02   -.286E+01 -.877E+01 -.193E+02   0.182E-01 0.115E-01 -.272E-01   0.103E-05 0.385E-06 0.530E-05
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.905E-01 0.495E-01 -.486E-01   -.549E-05 0.677E-06 0.666E-05
   0.148E+02 0.169E+01 0.161E+02   -.148E+02 -.172E+01 -.161E+02   0.625E-01 0.347E-01 -.520E-01   -.331E-05 0.230E-05 0.903E-05
   0.374E+01 -.262E+01 0.116E+02   -.374E+01 0.262E+01 -.116E+02   0.876E-02 0.475E-02 -.439E-01   -.236E-05 -.199E-05 0.736E-05
   -.139E+01 0.801E+00 0.134E+02   0.139E+01 -.803E+00 -.134E+02   -.124E-03 0.715E-04 -.179E-01   -.136E-05 -.135E-05 0.529E-05
   -.119E+01 0.122E+02 0.162E+02   0.119E+01 -.123E+02 -.161E+02   -.280E-02 0.217E-01 -.479E-01   -.153E-05 -.410E-06 0.294E-05
   0.718E+01 0.303E+02 0.423E+02   -.736E+01 -.305E+02 -.422E+02   0.188E+00 0.198E+00 -.607E-01   -.465E-05 0.108E-05 0.258E-05
   0.373E+02 0.785E+01 0.478E+02   -.378E+02 -.813E+01 -.481E+02   0.546E+00 0.279E+00 0.294E+00   -.658E-05 0.221E-06 0.220E-05
   0.193E+02 -.111E+02 0.217E+02   -.193E+02 0.112E+02 -.217E+02   0.506E-01 -.292E-01 -.433E-01   -.425E-05 -.131E-05 0.551E-05
   0.414E+01 -.192E+01 0.116E+02   -.414E+01 0.193E+01 -.116E+02   0.268E-03 -.997E-02 -.439E-01   -.269E-05 -.980E-06 0.308E-05
   -.312E+01 0.364E+01 0.126E+02   0.314E+01 -.365E+01 -.126E+02   -.137E-01 0.899E-02 -.175E-01   0.880E-06 0.127E-05 0.143E-05
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.229E+00 0.178E+00 -.338E-01   0.422E-05 -.153E-06 0.241E-05
   -.236E+02 0.136E+02 0.940E+02   0.243E+02 -.140E+02 -.961E+02   -.636E+00 0.367E+00 0.205E+01   0.356E-05 0.616E-06 -.208E-05
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.315E-01 -.613E+00 0.294E+00   -.120E-05 0.308E-05 -.607E-06
   0.593E+01 -.136E+02 0.161E+02   -.593E+01 0.137E+02 -.161E+02   0.114E-02 -.715E-01 -.520E-01   -.140E-05 0.853E-06 0.211E-05
   -.645E+00 -.393E+01 0.126E+02   0.646E+00 0.393E+01 -.126E+02   0.307E-02 0.154E-03 -.130E-01   0.195E-06 0.398E-05 0.360E-05
   -.914E+01 0.527E+01 0.136E+02   0.918E+01 -.530E+01 -.136E+02   -.422E-01 0.244E-01 -.121E-01   0.427E-05 0.395E-05 0.557E-05
   -.268E+02 0.343E+01 0.256E+02   0.271E+02 -.355E+01 -.256E+02   -.269E+00 0.109E+00 -.338E-01   0.781E-05 0.227E-05 0.677E-05
   -.226E+02 -.214E+02 0.423E+02   0.227E+02 0.216E+02 -.422E+02   -.771E-01 -.262E+00 -.607E-01   0.229E-05 0.294E-05 0.428E-05
   -.242E+01 -.189E+02 0.240E+02   0.242E+01 0.190E+02 -.240E+02   0.233E-02 -.103E+00 -.486E-01   0.219E-05 0.548E-05 0.405E-05
   0.206E+01 -.119E+01 0.163E+02   -.206E+01 0.119E+01 -.162E+02   0.327E-02 -.189E-02 -.242E-01   -.900E-06 0.350E-05 0.561E-05
   0.308E+01 0.252E+01 0.126E+02   -.308E+01 -.252E+01 -.126E+02   0.140E-02 -.273E-02 -.130E-01   -.763E-06 0.573E-05 0.687E-05
   -.471E+01 0.883E+00 0.126E+02   0.473E+01 -.892E+00 -.126E+02   -.146E-01 0.735E-02 -.175E-01   0.193E-05 0.269E-05 0.900E-05
   -.112E+02 -.510E+01 0.162E+02   0.112E+02 0.510E+01 -.161E+02   -.202E-01 -.844E-02 -.479E-01   0.218E-05 -.688E-06 0.789E-05
   -.616E+01 -.684E+01 0.194E+02   0.616E+01 0.686E+01 -.193E+02   -.844E-03 -.215E-01 -.272E-01   0.276E-05 -.172E-05 0.597E-05
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.289E-03 0.101E+02   0.361E-12 -.243E-12 -.284E-13   -.199E-16 0.361E-15 -.100E+02   0.225E-10 0.149E-10 0.127E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85211      6.05884     12.26471         0.000000      0.000000      0.019099
      1.07497      6.50752     13.52421         0.001551     -0.000895      0.008858
      2.62924      5.61016     13.52421        -0.001551      0.000895      0.008858
      0.00015     -0.00009      9.91082        -0.002291      0.001322      0.000103
     -1.23474      2.13683      9.90948        -0.000405      0.001548      0.000053
     -2.46994      4.27634      9.92946        -0.002698      0.002254     -0.000363
     -3.70363      6.41501      9.93717        -0.002031      0.001458     -0.000855
     -4.93735      8.55322      9.92774        -0.004140      0.002117     -0.000483
      2.46916     -0.00006      9.92774        -0.003903      0.002527     -0.000483
      1.23392      2.13662      9.91901        -0.003395      0.001397     -0.001214
     -0.00265      4.27071      9.93152        -0.003658      0.003436     -0.002357
     -1.23832      6.41562      9.95362        -0.000257      0.001293     -0.001111
     -2.46890      8.55357      9.93904        -0.001093      0.000631      0.000609
      4.93776      0.00062      9.93717        -0.002278      0.001030     -0.000855
      3.70409      2.13669      9.94047        -0.001510     -0.000558     -0.001268
      2.46985      4.26841      9.96807        -0.003476      0.000964     -0.002329
      1.22909      6.41854      9.97430        -0.004661      0.002691      0.001552
     -0.00209      8.55684      9.95362        -0.001248     -0.000424     -0.001111
      7.40675      0.00155      9.92946        -0.003301      0.001209     -0.000363
      6.17243      2.13877      9.93579        -0.002976      0.001749     -0.000532
      4.93890      4.27668      9.94852         0.000472     -0.000272     -0.000056
      3.71153      6.41908      9.96807        -0.002573      0.002528     -0.002329
      2.47330      8.55917      9.93152        -0.004805      0.001450     -0.002357
      9.87722      0.00159      9.90948        -0.001543     -0.000423      0.000053
      8.64160      2.13893      9.92067        -0.003155      0.001822      0.000301
      7.40715      4.27737      9.93579        -0.003003      0.001703     -0.000532
      6.17478      6.41605      9.94047        -0.000272      0.001587     -0.001268
      4.93975      8.55531      9.91901        -0.002908      0.002242     -0.001214
     -0.00103      1.42455      9.90948         0.001543      0.000423      0.000053
     -1.23554      3.56237      9.91901         0.002908     -0.002242     -0.001214
     -2.47057      5.70163      9.94047         0.000272     -0.001587     -0.001268
     -3.70294      7.84032      9.93579         0.003003     -0.001703     -0.000532
     -4.93739      9.97876      9.92067         0.003155     -0.001822      0.000301
      2.46945      1.42459      9.92946         0.003301     -0.001209     -0.000363
      1.23091      3.55851      9.93152         0.004805     -0.001450     -0.002357
     -0.00732      5.69860      9.96807         0.002573     -0.002528     -0.002329
     -1.23469      7.84100      9.94852        -0.000472      0.000272     -0.000056
     -2.46822      9.97891      9.93579         0.002976     -0.001749     -0.000532
      4.93843      1.42552      9.93717         0.002278     -0.001030     -0.000855
      3.70630      3.56084      9.95362         0.001248      0.000424     -0.001111
      2.47512      5.69914      9.97430         0.004661     -0.002691      0.001552
      1.23437      7.84927      9.96807         0.003476     -0.000964     -0.002329
      0.00012      9.98099      9.94047         0.001510      0.000558     -0.001268
      7.40703      1.42620      9.92774         0.003903     -0.002527     -0.000483
      6.17311      3.56411      9.93904         0.001093     -0.000631      0.000609
      4.94253      5.70206      9.95362         0.000257     -0.001293     -0.001111
      3.70686      7.84698      9.93152         0.003658     -0.003436     -0.002357
      2.47029      9.98106      9.91901         0.003395     -0.001397     -0.001214
      9.87604      1.42622      9.91082         0.002291     -0.001322      0.000103
      8.64156      3.56447      9.92774         0.004140     -0.002117     -0.000483
      7.40784      5.70267      9.93717         0.002031     -0.001458     -0.000855
      6.17415      7.84134      9.92946         0.002698     -0.002254     -0.000363
      4.93895      9.98086      9.90948         0.000405     -0.001548      0.000053
 -----------------------------------------------------------------------------------
    total drift:                               -0.001802      0.000289      0.015510


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.95: CPU time    1.95
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.35
    ORTHCH:  VPU time  182.29: CPU time   91.52
     LOOP+:  VPU time 4778.72: CPU time 2460.20


----------------------------------------- Iteration   35(   1)  ---------------------------------------


    POTLOK:  VPU time    9.23: CPU time    9.10
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1222.21: CPU time  633.24
 BZINTS: Fermi energy: -3.185326;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.77: CPU time   57.33
    MIXING:  VPU time    0.17: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1345.78: CPU time  700.21

 eigenvalue-minimisations  :  3328
 total energy-change (2. order) :-0.4717264E+03  ( 0.3047718E-08)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583400 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.22138E-05    rms(broyden)= 0.22137E-05
  rms(prec ) = 0.31501E-05
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34105.72148300
  -1/2 Hartree   DENC   =    -40996.20154386
  -V(xc)+E(xc)   XCENC  =       726.60486082
  PAW double counting   =      4094.27099966    -4132.61885740
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.94321340
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641757 eV

  energy without entropy =     -471.72641757  energy(sigma->0) =     -471.72641757


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   35(   2)  ---------------------------------------


    POTLOK:  VPU time    9.06: CPU time    9.06
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1232.29: CPU time  635.46
 BZINTS: Fermi energy: -3.185121;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1241.77: CPU time  644.89

 eigenvalue-minimisations  :  3376
 total energy-change (2. order) :-0.1524313E-08  ( 0.3059530E-08)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583400 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34105.72148300
  -1/2 Hartree   DENC   =    -40996.20100956
  -V(xc)+E(xc)   XCENC  =       726.60485347
  PAW double counting   =      4094.27102911    -4132.61888771
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.94373948
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641758 eV

  energy without entropy =     -471.72641758  energy(sigma->0) =     -471.72641758


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2180       2 -39.5363       3 -39.5363       4 -58.3139       5 -58.3178
       6 -58.3203       7 -58.3149       8 -58.3152       9 -58.3152      10 -58.3217
      11 -58.3878      12 -58.3518      13 -58.3232      14 -58.3149      15 -58.3247
      16 -58.5428      17 -58.7298      18 -58.3518      19 -58.3203      20 -58.3200
      21 -58.3579      22 -58.5428      23 -58.3878      24 -58.3178      25 -58.3230
      26 -58.3200      27 -58.3247      28 -58.3217      29 -58.3177      30 -58.3216
      31 -58.3246      32 -58.3199      33 -58.3229      34 -58.3202      35 -58.3877
      36 -58.5427      37 -58.3578      38 -58.3199      39 -58.3148      40 -58.3516
      41 -58.7297      42 -58.5427      43 -58.3246      44 -58.3151      45 -58.3230
      46 -58.3517      47 -58.3878      48 -58.3216      49 -58.3138      50 -58.3151
      51 -58.3148      52 -58.3202      53 -58.3177
 
 
 
 E-fermi :  -3.1851     XC(G=0):  -2.3422     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4276      1.00000
      2     -21.6044      1.00000
      3     -21.4827      1.00000
      4     -21.4736      1.00000
      5     -21.4420      1.00000
      6     -21.4412      1.00000
      7     -21.4311      1.00000
      8     -19.7085      1.00000
      9     -19.6536      1.00000
     10     -19.6303      1.00000
     11     -19.6193      1.00000
     12     -19.6140      1.00000
     13     -19.6130      1.00000
     14     -18.7906      1.00000
     15     -18.7555      1.00000
     16     -18.7357      1.00000
     17     -18.7262      1.00000
     18     -18.7190      1.00000
     19     -18.7137      1.00000
     20     -16.6354      1.00000
     21     -16.6096      1.00000
     22     -16.5852      1.00000
     23     -16.5818      1.00000
     24     -16.5548      1.00000
     25     -16.5531      1.00000
     26     -15.6154      1.00000
     27     -15.6027      1.00000
     28     -15.5994      1.00000
     29     -15.5653      1.00000
     30     -15.5636      1.00000
     31     -15.5626      1.00000
     32     -14.2604      1.00000
     33     -14.2511      1.00000
     34     -14.2411      1.00000
     35     -14.2361      1.00000
     36     -14.2229      1.00000
     37     -14.2200      1.00000
     38     -11.9061      1.00000
     39     -11.8791      1.00000
     40     -11.8680      1.00000
     41     -11.8658      1.00000
     42     -11.8451      1.00000
     43     -11.8449      1.00000
     44     -11.7716      1.00000
     45     -11.7689      1.00000
     46     -11.7362      1.00000
     47     -11.7295      1.00000
     48     -11.7253      1.00000
     49     -11.7228      1.00000
     50     -10.6766      1.00000
     51     -10.3890      1.00000
     52     -10.3840      1.00000
     53     -10.3771      1.00000
     54     -10.3693      1.00000
     55     -10.3560      1.00000
     56     -10.3539      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4060      1.00000
     60      -9.3630      1.00000
     61      -9.3624      1.00000
     62      -9.3546      1.00000
     63      -9.1426      1.00000
     64      -9.1220      1.00000
     65      -9.1213      1.00000
     66      -9.0849      1.00000
     67      -9.0720      1.00000
     68      -9.0714      1.00000
     69      -9.0712      1.00000
     70      -9.0642      1.00000
     71      -9.0642      1.00000
     72      -9.0385      1.00000
     73      -9.0290      1.00000
     74      -9.0258      1.00000
     75      -8.1301      1.00000
     76      -7.7458      1.00000
     77      -7.4688      1.00000
     78      -7.4667      1.00000
     79      -7.4539      1.00000
     80      -7.4342      1.00000
     81      -7.4247      1.00000
     82      -7.4066      1.00000
     83      -7.3130      1.00000
     84      -7.2713      1.00000
     85      -7.2576      1.00000
     86      -7.2491      1.00000
     87      -7.1508      1.00000
     88      -7.0494      1.00000
     89      -6.4464      1.00000
     90      -6.4161      1.00000
     91      -6.4005      1.00000
     92      -6.3638      1.00000
     93      -6.3531      1.00000
     94      -6.3408      1.00000
     95      -5.9585      1.00000
     96      -5.9582      1.00000
     97      -4.8064      1.00000
     98      -4.5444      1.00000
     99      -4.4815      1.00000
    100      -4.4744      1.00000
    101      -4.3823      1.00000
    102      -4.3817      1.00000
    103      -4.2678      1.00000
    104      -4.1873      1.00000
    105      -3.7393      1.00000
    106      -3.4776      1.00000
    107      -1.8619      0.00000
    108      -1.6706      0.00000
    109      -1.6241      0.00000
    110      -1.5913      0.00000
    111      -1.5759      0.00000
    112      -1.5749      0.00000
    113      -0.4288      0.00000
    114       0.1458      0.00000
    115       0.1920      0.00000
    116       0.2556      0.00000
    117       0.2675      0.00000
    118       0.2714      0.00000
    119       0.4771      0.00000
    120       0.5481      0.00000
    121       1.2481      0.00000
    122       1.2900      0.00000
    123       1.5380      0.00000
    124       1.7715      0.00000
    125       1.7742      0.00000
    126       1.7748      0.00000
    127       1.7983      0.00000
    128       1.8298      0.00000
    129       1.9587      0.00000
    130       1.9691      0.00000
    131       1.9745      0.00000
    132       1.9893      0.00000
    133       1.9964      0.00000
    134       2.0791      0.00000
    135       2.2509      0.00000
    136       2.3461      0.00000
    137       2.6113      0.00000
    138       2.6129      0.00000
    139       2.6401      0.00000
    140       2.7140      0.00000
    141       2.9360      0.00000
    142       3.0465      0.00000
    143       3.0615      0.00000
    144       3.0974      0.00000
    145       3.0988      0.00000
    146       3.1056      0.00000
    147       3.1059      0.00000
    148       3.2788      0.00000
    149       3.4510      0.00000
    150       3.5090      0.00000
    151       3.8254      0.00000
    152       3.9600      0.00000
    153       3.9620      0.00000
    154       3.9652      0.00000
    155       3.9724      0.00000
    156       3.9996      0.00000
    157       4.1883      0.00000
    158       4.2625      0.00000
    159       4.2751      0.00000
    160       4.2839      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8318      1.00000
      3     -21.6395      1.00000
      4     -21.6116      1.00000
      5     -21.2759      1.00000
      6     -21.2365      1.00000
      7     -21.0581      1.00000
      8     -20.1688      1.00000
      9     -20.1305      1.00000
     10     -19.6096      1.00000
     11     -19.5986      1.00000
     12     -19.4182      1.00000
     13     -19.0906      1.00000
     14     -19.0609      1.00000
     15     -19.0498      1.00000
     16     -19.0424      1.00000
     17     -18.3615      1.00000
     18     -18.3531      1.00000
     19     -18.0198      1.00000
     20     -17.0698      1.00000
     21     -17.0311      1.00000
     22     -16.9445      1.00000
     23     -16.9406      1.00000
     24     -16.4685      1.00000
     25     -16.4638      1.00000
     26     -15.6149      1.00000
     27     -15.6081      1.00000
     28     -15.2533      1.00000
     29     -15.2442      1.00000
     30     -15.1854      1.00000
     31     -15.0985      1.00000
     32     -15.0717      1.00000
     33     -14.6992      1.00000
     34     -14.6972      1.00000
     35     -13.7270      1.00000
     36     -13.7245      1.00000
     37     -13.2362      1.00000
     38     -12.6146      1.00000
     39     -12.5844      1.00000
     40     -12.4549      1.00000
     41     -12.4512      1.00000
     42     -12.1097      1.00000
     43     -12.1051      1.00000
     44     -11.7179      1.00000
     45     -11.6870      1.00000
     46     -11.2355      1.00000
     47     -11.2262      1.00000
     48     -11.0182      1.00000
     49     -11.0102      1.00000
     50     -10.9272      1.00000
     51     -10.9058      1.00000
     52     -10.6317      1.00000
     53     -10.1554      1.00000
     54     -10.1513      1.00000
     55     -10.0921      1.00000
     56      -9.9990      1.00000
     57      -9.7033      1.00000
     58      -9.6953      1.00000
     59      -9.6565      1.00000
     60      -9.5922      1.00000
     61      -9.5771      1.00000
     62      -9.5591      1.00000
     63      -9.3074      1.00000
     64      -9.3036      1.00000
     65      -9.2746      1.00000
     66      -9.2370      1.00000
     67      -9.1372      1.00000
     68      -9.1154      1.00000
     69      -9.1117      1.00000
     70      -8.9402      1.00000
     71      -8.8725      1.00000
     72      -8.6046      1.00000
     73      -8.5910      1.00000
     74      -8.2368      1.00000
     75      -8.1006      1.00000
     76      -7.9135      1.00000
     77      -7.8641      1.00000
     78      -7.7719      1.00000
     79      -7.7570      1.00000
     80      -7.6923      1.00000
     81      -7.5607      1.00000
     82      -7.3390      1.00000
     83      -7.3229      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0125      1.00000
     88      -6.7047      1.00000
     89      -6.6784      1.00000
     90      -6.6413      1.00000
     91      -6.5979      1.00000
     92      -6.1159      1.00000
     93      -6.0624      1.00000
     94      -6.0313      1.00000
     95      -6.0116      1.00000
     96      -5.7835      1.00000
     97      -4.9745      1.00000
     98      -4.8322      1.00000
     99      -4.7471      1.00000
    100      -4.6795      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1719      1.00000
    104      -4.1280      1.00000
    105      -3.7296      1.00000
    106      -3.4878      1.00000
    107      -1.8703      0.00000
    108      -1.8089      0.00000
    109      -1.5244      0.00000
    110      -1.3776      0.00000
    111      -1.3214      0.00000
    112      -1.2880      0.00000
    113      -0.7199      0.00000
    114      -0.3760      0.00000
    115      -0.2499      0.00000
    116       0.0369      0.00000
    117       0.5560      0.00000
    118       0.6985      0.00000
    119       0.7464      0.00000
    120       1.0480      0.00000
    121       1.1000      0.00000
    122       1.1498      0.00000
    123       1.2274      0.00000
    124       1.3779      0.00000
    125       1.5241      0.00000
    126       1.5840      0.00000
    127       1.7154      0.00000
    128       1.8140      0.00000
    129       1.8578      0.00000
    130       1.8817      0.00000
    131       2.0965      0.00000
    132       2.1875      0.00000
    133       2.2417      0.00000
    134       2.3071      0.00000
    135       2.5145      0.00000
    136       2.5902      0.00000
    137       2.6405      0.00000
    138       2.7800      0.00000
    139       2.7970      0.00000
    140       2.8268      0.00000
    141       2.8593      0.00000
    142       2.9016      0.00000
    143       2.9428      0.00000
    144       3.0824      0.00000
    145       3.1547      0.00000
    146       3.3187      0.00000
    147       3.3834      0.00000
    148       3.4293      0.00000
    149       3.4694      0.00000
    150       3.6196      0.00000
    151       3.6472      0.00000
    152       3.6698      0.00000
    153       3.7150      0.00000
    154       3.9127      0.00000
    155       3.9615      0.00000
    156       4.0177      0.00000
    157       4.0681      0.00000
    158       4.2402      0.00000
    159       4.2531      0.00000
    160       4.2766      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2849      1.00000
      2     -22.0793      1.00000
      3     -21.7179      1.00000
      4     -21.6861      1.00000
      5     -20.9806      1.00000
      6     -20.9400      1.00000
      7     -20.6130      1.00000
      8     -20.5763      1.00000
      9     -20.5701      1.00000
     10     -20.0337      1.00000
     11     -19.5044      1.00000
     12     -19.4927      1.00000
     13     -19.3078      1.00000
     14     -19.3026      1.00000
     15     -18.4486      1.00000
     16     -18.4119      1.00000
     17     -17.9231      1.00000
     18     -17.9137      1.00000
     19     -17.7624      1.00000
     20     -17.7266      1.00000
     21     -17.4366      1.00000
     22     -17.4292      1.00000
     23     -17.3415      1.00000
     24     -16.4635      1.00000
     25     -16.4623      1.00000
     26     -15.9678      1.00000
     27     -15.4151      1.00000
     28     -15.4096      1.00000
     29     -15.0973      1.00000
     30     -15.0939      1.00000
     31     -14.8555      1.00000
     32     -14.8479      1.00000
     33     -14.2908      1.00000
     34     -14.2580      1.00000
     35     -13.4371      1.00000
     36     -13.4046      1.00000
     37     -13.1779      1.00000
     38     -13.1746      1.00000
     39     -12.9826      1.00000
     40     -12.9777      1.00000
     41     -12.6134      1.00000
     42     -12.6103      1.00000
     43     -12.1981      1.00000
     44     -11.5771      1.00000
     45     -11.5434      1.00000
     46     -11.3112      1.00000
     47     -11.2884      1.00000
     48     -11.1423      1.00000
     49     -10.6767      1.00000
     50     -10.6607      1.00000
     51     -10.5537      1.00000
     52     -10.3238      1.00000
     53     -10.3181      1.00000
     54     -10.1699      1.00000
     55     -10.1156      1.00000
     56     -10.1130      1.00000
     57      -9.7988      1.00000
     58      -9.7652      1.00000
     59      -9.7524      1.00000
     60      -9.7004      1.00000
     61      -9.6972      1.00000
     62      -9.6627      1.00000
     63      -9.3546      1.00000
     64      -9.3518      1.00000
     65      -9.3159      1.00000
     66      -9.0415      1.00000
     67      -8.9624      1.00000
     68      -8.9499      1.00000
     69      -8.8000      1.00000
     70      -8.5952      1.00000
     71      -8.5581      1.00000
     72      -8.3988      1.00000
     73      -8.3653      1.00000
     74      -8.3247      1.00000
     75      -8.3073      1.00000
     76      -8.2590      1.00000
     77      -8.2574      1.00000
     78      -8.2366      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3866      1.00000
     83      -7.3495      1.00000
     84      -7.2309      1.00000
     85      -7.0967      1.00000
     86      -7.0391      1.00000
     87      -6.9342      1.00000
     88      -6.8483      1.00000
     89      -6.6127      1.00000
     90      -6.5588      1.00000
     91      -6.2698      1.00000
     92      -6.0440      1.00000
     93      -5.9518      1.00000
     94      -5.6629      1.00000
     95      -5.6228      1.00000
     96      -5.4633      1.00000
     97      -5.3201      1.00000
     98      -5.2790      1.00000
     99      -5.2140      1.00000
    100      -5.1940      1.00000
    101      -4.5085      1.00000
    102      -4.2077      1.00000
    103      -4.0593      1.00000
    104      -3.9892      1.00000
    105      -3.6943      1.00000
    106      -3.4980      1.00000
    107      -1.9462      0.00000
    108      -1.8963      0.00000
    109      -1.3390      0.00000
    110      -1.0849      0.00000
    111      -1.0582      0.00000
    112      -0.8003      0.00000
    113      -0.6776      0.00000
    114      -0.6468      0.00000
    115      -0.6072      0.00000
    116      -0.1080      0.00000
    117       0.2155      0.00000
    118       0.3291      0.00000
    119       0.6944      0.00000
    120       0.8877      0.00000
    121       1.1273      0.00000
    122       1.1992      0.00000
    123       1.3265      0.00000
    124       1.4212      0.00000
    125       1.5545      0.00000
    126       1.5764      0.00000
    127       1.6804      0.00000
    128       1.8082      0.00000
    129       1.8838      0.00000
    130       2.0562      0.00000
    131       2.1233      0.00000
    132       2.3265      0.00000
    133       2.3590      0.00000
    134       2.3964      0.00000
    135       2.5472      0.00000
    136       2.6312      0.00000
    137       2.7300      0.00000
    138       2.7574      0.00000
    139       2.8267      0.00000
    140       2.8831      0.00000
    141       3.0488      0.00000
    142       3.0586      0.00000
    143       3.1646      0.00000
    144       3.2652      0.00000
    145       3.3615      0.00000
    146       3.4160      0.00000
    147       3.4340      0.00000
    148       3.5674      0.00000
    149       3.5850      0.00000
    150       3.6020      0.00000
    151       3.6603      0.00000
    152       3.6756      0.00000
    153       3.7812      0.00000
    154       3.8018      0.00000
    155       3.8075      0.00000
    156       3.8943      0.00000
    157       3.9228      0.00000
    158       3.9946      0.00000
    159       4.2156      0.00000
    160       4.2262      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.9641      1.00000
      3     -21.8950      1.00000
      4     -21.3822      1.00000
      5     -21.3530      1.00000
      6     -20.8409      1.00000
      7     -20.7756      1.00000
      8     -20.6253      1.00000
      9     -20.0787      1.00000
     10     -20.0731      1.00000
     11     -19.7179      1.00000
     12     -19.6934      1.00000
     13     -18.9975      1.00000
     14     -18.9916      1.00000
     15     -18.6416      1.00000
     16     -18.6257      1.00000
     17     -18.4630      1.00000
     18     -17.6761      1.00000
     19     -17.6257      1.00000
     20     -17.6228      1.00000
     21     -17.5810      1.00000
     22     -17.1273      1.00000
     23     -17.1058      1.00000
     24     -16.9627      1.00000
     25     -16.0023      1.00000
     26     -15.9305      1.00000
     27     -15.5865      1.00000
     28     -15.5862      1.00000
     29     -15.2876      1.00000
     30     -14.8648      1.00000
     31     -14.8375      1.00000
     32     -14.5795      1.00000
     33     -14.5376      1.00000
     34     -14.1694      1.00000
     35     -14.1558      1.00000
     36     -13.1485      1.00000
     37     -13.1013      1.00000
     38     -13.0302      1.00000
     39     -13.0200      1.00000
     40     -12.7095      1.00000
     41     -12.7053      1.00000
     42     -12.3423      1.00000
     43     -12.3110      1.00000
     44     -11.6365      1.00000
     45     -11.6229      1.00000
     46     -11.5727      1.00000
     47     -10.9501      1.00000
     48     -10.9170      1.00000
     49     -10.6329      1.00000
     50     -10.6248      1.00000
     51     -10.5479      1.00000
     52     -10.5002      1.00000
     53     -10.4999      1.00000
     54     -10.4399      1.00000
     55     -10.3607      1.00000
     56     -10.1001      1.00000
     57      -9.9042      1.00000
     58      -9.6088      1.00000
     59      -9.5565      1.00000
     60      -9.4530      1.00000
     61      -9.4126      1.00000
     62      -9.4057      1.00000
     63      -9.3776      1.00000
     64      -9.3772      1.00000
     65      -9.2880      1.00000
     66      -9.1691      1.00000
     67      -9.1435      1.00000
     68      -9.1152      1.00000
     69      -8.8652      1.00000
     70      -8.8576      1.00000
     71      -8.8157      1.00000
     72      -8.5975      1.00000
     73      -8.4805      1.00000
     74      -8.1991      1.00000
     75      -8.1637      1.00000
     76      -8.0093      1.00000
     77      -7.9640      1.00000
     78      -7.8507      1.00000
     79      -7.8406      1.00000
     80      -7.7044      1.00000
     81      -7.6971      1.00000
     82      -7.6224      1.00000
     83      -7.4490      1.00000
     84      -7.3009      1.00000
     85      -7.2533      1.00000
     86      -6.9065      1.00000
     87      -6.8928      1.00000
     88      -6.5890      1.00000
     89      -6.5515      1.00000
     90      -6.4062      1.00000
     91      -6.2537      1.00000
     92      -6.2330      1.00000
     93      -6.2055      1.00000
     94      -6.0232      1.00000
     95      -5.5502      1.00000
     96      -5.4891      1.00000
     97      -5.3505      1.00000
     98      -5.2198      1.00000
     99      -4.9795      1.00000
    100      -4.7327      1.00000
    101      -4.6781      1.00000
    102      -4.3875      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5464      1.00000
    106      -3.5100      1.00000
    107      -2.2563      0.00000
    108      -1.4566      0.00000
    109      -1.3713      0.00000
    110      -1.2418      0.00000
    111      -1.0979      0.00000
    112      -0.9450      0.00000
    113      -0.8637      0.00000
    114      -0.8033      0.00000
    115      -0.1393      0.00000
    116       0.1111      0.00000
    117       0.2407      0.00000
    118       0.3777      0.00000
    119       0.6519      0.00000
    120       0.8359      0.00000
    121       0.9366      0.00000
    122       1.0639      0.00000
    123       1.2336      0.00000
    124       1.4483      0.00000
    125       1.5515      0.00000
    126       1.7664      0.00000
    127       1.7934      0.00000
    128       1.8740      0.00000
    129       1.9703      0.00000
    130       2.0444      0.00000
    131       2.1770      0.00000
    132       2.1936      0.00000
    133       2.4111      0.00000
    134       2.4595      0.00000
    135       2.5294      0.00000
    136       2.6043      0.00000
    137       2.6377      0.00000
    138       2.6960      0.00000
    139       2.7800      0.00000
    140       2.8354      0.00000
    141       2.9501      0.00000
    142       3.0849      0.00000
    143       3.2024      0.00000
    144       3.2094      0.00000
    145       3.2577      0.00000
    146       3.3263      0.00000
    147       3.3327      0.00000
    148       3.4677      0.00000
    149       3.5006      0.00000
    150       3.6984      0.00000
    151       3.7114      0.00000
    152       3.7269      0.00000
    153       3.8582      0.00000
    154       3.9132      0.00000
    155       3.9482      0.00000
    156       3.9811      0.00000
    157       4.0151      0.00000
    158       4.0343      0.00000
    159       4.0511      0.00000
    160       4.0695      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2119      1.00000
      2     -22.1189      1.00000
      3     -21.9582      1.00000
      4     -21.4057      1.00000
      5     -21.0511      1.00000
      6     -21.0151      1.00000
      7     -20.5019      1.00000
      8     -20.4625      1.00000
      9     -20.2961      1.00000
     10     -20.2768      1.00000
     11     -19.9587      1.00000
     12     -19.8930      1.00000
     13     -18.8836      1.00000
     14     -18.8148      1.00000
     15     -18.3538      1.00000
     16     -18.3076      1.00000
     17     -18.1540      1.00000
     18     -18.1368      1.00000
     19     -17.8277      1.00000
     20     -17.7901      1.00000
     21     -17.2525      1.00000
     22     -17.2425      1.00000
     23     -17.1655      1.00000
     24     -17.1337      1.00000
     25     -16.1110      1.00000
     26     -15.8865      1.00000
     27     -15.8712      1.00000
     28     -15.8350      1.00000
     29     -15.2371      1.00000
     30     -14.5559      1.00000
     31     -14.5280      1.00000
     32     -14.2808      1.00000
     33     -13.9645      1.00000
     34     -13.9570      1.00000
     35     -13.8209      1.00000
     36     -13.8051      1.00000
     37     -13.6154      1.00000
     38     -13.5716      1.00000
     39     -13.3710      1.00000
     40     -12.6354      1.00000
     41     -12.1816      1.00000
     42     -12.1336      1.00000
     43     -12.0730      1.00000
     44     -12.0207      1.00000
     45     -11.6701      1.00000
     46     -11.6566      1.00000
     47     -11.1395      1.00000
     48     -11.1189      1.00000
     49     -10.7954      1.00000
     50     -10.7319      1.00000
     51     -10.5294      1.00000
     52     -10.2091      1.00000
     53     -10.2064      1.00000
     54     -10.1654      1.00000
     55     -10.0184      1.00000
     56     -10.0049      1.00000
     57      -9.9913      1.00000
     58      -9.8018      1.00000
     59      -9.7980      1.00000
     60      -9.7627      1.00000
     61      -9.7579      1.00000
     62      -9.4552      1.00000
     63      -9.4180      1.00000
     64      -9.0810      1.00000
     65      -9.0729      1.00000
     66      -9.0413      1.00000
     67      -8.9558      1.00000
     68      -8.8778      1.00000
     69      -8.7126      1.00000
     70      -8.7003      1.00000
     71      -8.5664      1.00000
     72      -8.5435      1.00000
     73      -8.4998      1.00000
     74      -8.4630      1.00000
     75      -8.4538      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0438      1.00000
     79      -7.9160      1.00000
     80      -7.8635      1.00000
     81      -7.6152      1.00000
     82      -7.5489      1.00000
     83      -7.4902      1.00000
     84      -7.2681      1.00000
     85      -6.9955      1.00000
     86      -6.9233      1.00000
     87      -6.8823      1.00000
     88      -6.5327      1.00000
     89      -6.4874      1.00000
     90      -6.4615      1.00000
     91      -6.4105      1.00000
     92      -5.9841      1.00000
     93      -5.8976      1.00000
     94      -5.7847      1.00000
     95      -5.7598      1.00000
     96      -5.4323      1.00000
     97      -5.3294      1.00000
     98      -5.2304      1.00000
     99      -5.2179      1.00000
    100      -5.1885      1.00000
    101      -4.6922      1.00000
    102      -4.4215      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5291      1.00000
    106      -3.2742      1.00000
    107      -2.5312      0.00000
    108      -1.4581      0.00000
    109      -1.2667      0.00000
    110      -1.2029      0.00000
    111      -1.1725      0.00000
    112      -0.7196      0.00000
    113      -0.5035      0.00000
    114      -0.4119      0.00000
    115      -0.3395      0.00000
    116      -0.1459      0.00000
    117      -0.0028      0.00000
    118       0.1939      0.00000
    119       0.5613      0.00000
    120       0.6125      0.00000
    121       0.7964      0.00000
    122       0.9071      0.00000
    123       1.1327      0.00000
    124       1.4942      0.00000
    125       1.6351      0.00000
    126       1.8546      0.00000
    127       1.9277      0.00000
    128       2.1062      0.00000
    129       2.1165      0.00000
    130       2.1511      0.00000
    131       2.1875      0.00000
    132       2.2799      0.00000
    133       2.3394      0.00000
    134       2.4683      0.00000
    135       2.5810      0.00000
    136       2.6585      0.00000
    137       2.8551      0.00000
    138       2.8717      0.00000
    139       2.8940      0.00000
    140       3.0202      0.00000
    141       3.0275      0.00000
    142       3.1409      0.00000
    143       3.1818      0.00000
    144       3.2349      0.00000
    145       3.2752      0.00000
    146       3.2848      0.00000
    147       3.3007      0.00000
    148       3.3470      0.00000
    149       3.4240      0.00000
    150       3.4451      0.00000
    151       3.5536      0.00000
    152       3.6236      0.00000
    153       3.7075      0.00000
    154       3.7315      0.00000
    155       3.7736      0.00000
    156       3.8950      0.00000
    157       3.9424      0.00000
    158       4.0066      0.00000
    159       4.1328      0.00000
    160       4.2251      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3187      1.00000
      2     -21.9657      1.00000
      3     -21.8935      1.00000
      4     -21.3859      1.00000
      5     -21.3495      1.00000
      6     -20.8407      1.00000
      7     -20.7743      1.00000
      8     -20.6262      1.00000
      9     -20.0907      1.00000
     10     -20.0619      1.00000
     11     -19.7195      1.00000
     12     -19.6907      1.00000
     13     -19.0108      1.00000
     14     -18.9797      1.00000
     15     -18.6507      1.00000
     16     -18.6180      1.00000
     17     -18.4616      1.00000
     18     -17.6613      1.00000
     19     -17.6476      1.00000
     20     -17.6114      1.00000
     21     -17.5789      1.00000
     22     -17.1380      1.00000
     23     -17.0981      1.00000
     24     -16.9664      1.00000
     25     -16.0087      1.00000
     26     -15.9239      1.00000
     27     -15.5998      1.00000
     28     -15.5762      1.00000
     29     -15.2804      1.00000
     30     -14.8775      1.00000
     31     -14.8304      1.00000
     32     -14.5753      1.00000
     33     -14.5375      1.00000
     34     -14.1644      1.00000
     35     -14.1603      1.00000
     36     -13.1627      1.00000
     37     -13.0969      1.00000
     38     -13.0238      1.00000
     39     -13.0190      1.00000
     40     -12.7185      1.00000
     41     -12.6952      1.00000
     42     -12.3414      1.00000
     43     -12.3142      1.00000
     44     -11.6318      1.00000
     45     -11.6227      1.00000
     46     -11.5707      1.00000
     47     -10.9412      1.00000
     48     -10.9234      1.00000
     49     -10.6695      1.00000
     50     -10.5902      1.00000
     51     -10.5736      1.00000
     52     -10.5011      1.00000
     53     -10.4897      1.00000
     54     -10.4394      1.00000
     55     -10.3568      1.00000
     56     -10.1045      1.00000
     57      -9.8985      1.00000
     58      -9.6092      1.00000
     59      -9.5520      1.00000
     60      -9.4548      1.00000
     61      -9.4181      1.00000
     62      -9.4099      1.00000
     63      -9.3799      1.00000
     64      -9.3728      1.00000
     65      -9.2681      1.00000
     66      -9.1653      1.00000
     67      -9.1413      1.00000
     68      -9.1159      1.00000
     69      -8.8663      1.00000
     70      -8.8603      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1932      1.00000
     75      -8.1706      1.00000
     76      -8.0762      1.00000
     77      -7.8580      1.00000
     78      -7.8372      1.00000
     79      -7.8242      1.00000
     80      -7.7106      1.00000
     81      -7.6962      1.00000
     82      -7.5978      1.00000
     83      -7.5301      1.00000
     84      -7.3507      1.00000
     85      -7.1680      1.00000
     86      -6.9052      1.00000
     87      -6.8959      1.00000
     88      -6.5928      1.00000
     89      -6.5516      1.00000
     90      -6.4062      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2010      1.00000
     94      -6.0042      1.00000
     95      -5.5320      1.00000
     96      -5.4654      1.00000
     97      -5.3143      1.00000
     98      -5.2097      1.00000
     99      -5.0470      1.00000
    100      -4.7236      1.00000
    101      -4.6717      1.00000
    102      -4.4239      1.00000
    103      -4.1948      1.00000
    104      -3.8428      1.00000
    105      -3.6345      1.00000
    106      -3.4163      1.00000
    107      -2.2925      0.00000
    108      -1.5093      0.00000
    109      -1.2700      0.00000
    110      -1.2623      0.00000
    111      -1.0343      0.00000
    112      -0.9778      0.00000
    113      -0.8681      0.00000
    114      -0.7998      0.00000
    115      -0.2616      0.00000
    116       0.2044      0.00000
    117       0.2395      0.00000
    118       0.3600      0.00000
    119       0.6910      0.00000
    120       0.8942      0.00000
    121       0.9239      0.00000
    122       1.0406      0.00000
    123       1.1671      0.00000
    124       1.5100      0.00000
    125       1.5602      0.00000
    126       1.7112      0.00000
    127       1.7789      0.00000
    128       1.8339      0.00000
    129       1.9631      0.00000
    130       1.9857      0.00000
    131       2.1842      0.00000
    132       2.2629      0.00000
    133       2.4162      0.00000
    134       2.4657      0.00000
    135       2.5272      0.00000
    136       2.6008      0.00000
    137       2.6188      0.00000
    138       2.6995      0.00000
    139       2.7596      0.00000
    140       2.8645      0.00000
    141       3.0366      0.00000
    142       3.0830      0.00000
    143       3.1898      0.00000
    144       3.2461      0.00000
    145       3.2594      0.00000
    146       3.2986      0.00000
    147       3.3581      0.00000
    148       3.4528      0.00000
    149       3.5212      0.00000
    150       3.6922      0.00000
    151       3.7173      0.00000
    152       3.7483      0.00000
    153       3.8312      0.00000
    154       3.8915      0.00000
    155       3.9344      0.00000
    156       3.9799      0.00000
    157       4.0096      0.00000
    158       4.0414      0.00000
    159       4.0482      0.00000
    160       4.0844      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8321      1.00000
      3     -21.6427      1.00000
      4     -21.6077      1.00000
      5     -21.2800      1.00000
      6     -21.2330      1.00000
      7     -21.0577      1.00000
      8     -20.1726      1.00000
      9     -20.1264      1.00000
     10     -19.6179      1.00000
     11     -19.5917      1.00000
     12     -19.4167      1.00000
     13     -19.0956      1.00000
     14     -19.0569      1.00000
     15     -19.0525      1.00000
     16     -19.0397      1.00000
     17     -18.3676      1.00000
     18     -18.3479      1.00000
     19     -18.0175      1.00000
     20     -17.0731      1.00000
     21     -17.0243      1.00000
     22     -16.9503      1.00000
     23     -16.9365      1.00000
     24     -16.4753      1.00000
     25     -16.4634      1.00000
     26     -15.6101      1.00000
     27     -15.6096      1.00000
     28     -15.2505      1.00000
     29     -15.2384      1.00000
     30     -15.1923      1.00000
     31     -15.1022      1.00000
     32     -15.0692      1.00000
     33     -14.6988      1.00000
     34     -14.6979      1.00000
     35     -13.7254      1.00000
     36     -13.7253      1.00000
     37     -13.2359      1.00000
     38     -12.6247      1.00000
     39     -12.5806      1.00000
     40     -12.4555      1.00000
     41     -12.4501      1.00000
     42     -12.1053      1.00000
     43     -12.1004      1.00000
     44     -11.7219      1.00000
     45     -11.6833      1.00000
     46     -11.2456      1.00000
     47     -11.2249      1.00000
     48     -11.0182      1.00000
     49     -11.0065      1.00000
     50     -10.9280      1.00000
     51     -10.8994      1.00000
     52     -10.6377      1.00000
     53     -10.1729      1.00000
     54     -10.1500      1.00000
     55     -10.0852      1.00000
     56      -9.9927      1.00000
     57      -9.6966      1.00000
     58      -9.6901      1.00000
     59      -9.6710      1.00000
     60      -9.5915      1.00000
     61      -9.5675      1.00000
     62      -9.5543      1.00000
     63      -9.3132      1.00000
     64      -9.3006      1.00000
     65      -9.2837      1.00000
     66      -9.2431      1.00000
     67      -9.1227      1.00000
     68      -9.1130      1.00000
     69      -9.1113      1.00000
     70      -8.9401      1.00000
     71      -8.8753      1.00000
     72      -8.6049      1.00000
     73      -8.5862      1.00000
     74      -8.2712      1.00000
     75      -8.1016      1.00000
     76      -7.8676      1.00000
     77      -7.8440      1.00000
     78      -7.7907      1.00000
     79      -7.7650      1.00000
     80      -7.7560      1.00000
     81      -7.4473      1.00000
     82      -7.3350      1.00000
     83      -7.3235      1.00000
     84      -7.2664      1.00000
     85      -7.1628      1.00000
     86      -7.0148      1.00000
     87      -6.9867      1.00000
     88      -6.7179      1.00000
     89      -6.6908      1.00000
     90      -6.6319      1.00000
     91      -6.5908      1.00000
     92      -6.1179      1.00000
     93      -6.0590      1.00000
     94      -6.0448      1.00000
     95      -6.0286      1.00000
     96      -5.7481      1.00000
     97      -4.9748      1.00000
     98      -4.8397      1.00000
     99      -4.7091      1.00000
    100      -4.6735      1.00000
    101      -4.4837      1.00000
    102      -4.3523      1.00000
    103      -4.1119      1.00000
    104      -4.0556      1.00000
    105      -3.7550      1.00000
    106      -3.4654      1.00000
    107      -1.9506      0.00000
    108      -1.7711      0.00000
    109      -1.4798      0.00000
    110      -1.3555      0.00000
    111      -1.3359      0.00000
    112      -1.2926      0.00000
    113      -0.6785      0.00000
    114      -0.4719      0.00000
    115      -0.2354      0.00000
    116       0.0516      0.00000
    117       0.5877      0.00000
    118       0.6924      0.00000
    119       0.7701      0.00000
    120       1.0228      0.00000
    121       1.0970      0.00000
    122       1.1768      0.00000
    123       1.2501      0.00000
    124       1.3349      0.00000
    125       1.4338      0.00000
    126       1.6003      0.00000
    127       1.7632      0.00000
    128       1.8429      0.00000
    129       1.8600      0.00000
    130       1.8877      0.00000
    131       2.0453      0.00000
    132       2.2177      0.00000
    133       2.2331      0.00000
    134       2.2868      0.00000
    135       2.4806      0.00000
    136       2.6194      0.00000
    137       2.6420      0.00000
    138       2.7537      0.00000
    139       2.7962      0.00000
    140       2.8363      0.00000
    141       2.8482      0.00000
    142       2.8708      0.00000
    143       2.9469      0.00000
    144       3.0865      0.00000
    145       3.3156      0.00000
    146       3.3552      0.00000
    147       3.4065      0.00000
    148       3.4193      0.00000
    149       3.4251      0.00000
    150       3.6038      0.00000
    151       3.6505      0.00000
    152       3.6781      0.00000
    153       3.7317      0.00000
    154       3.8964      0.00000
    155       3.9256      0.00000
    156       3.9567      0.00000
    157       4.1075      0.00000
    158       4.2067      0.00000
    159       4.2582      0.00000
    160       4.2844      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2110      1.00000
      2     -22.1202      1.00000
      3     -21.9579      1.00000
      4     -21.4058      1.00000
      5     -21.0472      1.00000
      6     -21.0189      1.00000
      7     -20.4971      1.00000
      8     -20.4672      1.00000
      9     -20.2873      1.00000
     10     -20.2853      1.00000
     11     -19.9576      1.00000
     12     -19.8945      1.00000
     13     -18.8842      1.00000
     14     -18.8166      1.00000
     15     -18.3386      1.00000
     16     -18.3195      1.00000
     17     -18.1499      1.00000
     18     -18.1424      1.00000
     19     -17.8166      1.00000
     20     -17.7985      1.00000
     21     -17.2587      1.00000
     22     -17.2391      1.00000
     23     -17.1608      1.00000
     24     -17.1360      1.00000
     25     -16.1175      1.00000
     26     -15.8812      1.00000
     27     -15.8701      1.00000
     28     -15.8409      1.00000
     29     -15.2314      1.00000
     30     -14.5513      1.00000
     31     -14.5330      1.00000
     32     -14.2761      1.00000
     33     -13.9756      1.00000
     34     -13.9519      1.00000
     35     -13.8253      1.00000
     36     -13.8030      1.00000
     37     -13.6044      1.00000
     38     -13.5792      1.00000
     39     -13.3712      1.00000
     40     -12.6396      1.00000
     41     -12.1691      1.00000
     42     -12.1428      1.00000
     43     -12.0685      1.00000
     44     -12.0217      1.00000
     45     -11.6655      1.00000
     46     -11.6608      1.00000
     47     -11.1369      1.00000
     48     -11.1258      1.00000
     49     -10.7905      1.00000
     50     -10.7344      1.00000
     51     -10.5361      1.00000
     52     -10.2090      1.00000
     53     -10.2028      1.00000
     54     -10.1711      1.00000
     55     -10.0233      1.00000
     56      -9.9948      1.00000
     57      -9.9907      1.00000
     58      -9.8055      1.00000
     59      -9.7965      1.00000
     60      -9.7649      1.00000
     61      -9.7569      1.00000
     62      -9.4544      1.00000
     63      -9.4179      1.00000
     64      -9.0852      1.00000
     65      -9.0463      1.00000
     66      -9.0260      1.00000
     67      -8.9698      1.00000
     68      -8.8982      1.00000
     69      -8.7086      1.00000
     70      -8.6994      1.00000
     71      -8.5600      1.00000
     72      -8.5493      1.00000
     73      -8.4782      1.00000
     74      -8.4599      1.00000
     75      -8.4571      1.00000
     76      -8.3087      1.00000
     77      -8.0955      1.00000
     78      -8.0896      1.00000
     79      -7.9269      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5369      1.00000
     83      -7.4437      1.00000
     84      -7.3142      1.00000
     85      -6.9942      1.00000
     86      -6.9195      1.00000
     87      -6.8825      1.00000
     88      -6.5277      1.00000
     89      -6.5149      1.00000
     90      -6.4809      1.00000
     91      -6.4208      1.00000
     92      -5.9273      1.00000
     93      -5.9054      1.00000
     94      -5.7890      1.00000
     95      -5.7751      1.00000
     96      -5.3695      1.00000
     97      -5.3633      1.00000
     98      -5.2205      1.00000
     99      -5.2155      1.00000
    100      -5.1989      1.00000
    101      -4.7204      1.00000
    102      -4.4423      1.00000
    103      -4.1909      1.00000
    104      -3.8204      1.00000
    105      -3.5655      1.00000
    106      -3.2215      1.00000
    107      -2.5626      0.00000
    108      -1.4632      0.00000
    109      -1.2673      0.00000
    110      -1.1852      0.00000
    111      -1.1837      0.00000
    112      -0.6447      0.00000
    113      -0.5514      0.00000
    114      -0.4147      0.00000
    115      -0.3474      0.00000
    116      -0.0776      0.00000
    117      -0.0633      0.00000
    118       0.1259      0.00000
    119       0.5931      0.00000
    120       0.6265      0.00000
    121       0.8553      0.00000
    122       0.9859      0.00000
    123       1.0035      0.00000
    124       1.4943      0.00000
    125       1.6841      0.00000
    126       1.7667      0.00000
    127       1.8619      0.00000
    128       2.1147      0.00000
    129       2.1457      0.00000
    130       2.1893      0.00000
    131       2.2103      0.00000
    132       2.2564      0.00000
    133       2.3539      0.00000
    134       2.4944      0.00000
    135       2.5109      0.00000
    136       2.6661      0.00000
    137       2.8526      0.00000
    138       2.8595      0.00000
    139       2.9544      0.00000
    140       3.0079      0.00000
    141       3.0418      0.00000
    142       3.1358      0.00000
    143       3.1942      0.00000
    144       3.2456      0.00000
    145       3.2536      0.00000
    146       3.2808      0.00000
    147       3.3035      0.00000
    148       3.3548      0.00000
    149       3.4200      0.00000
    150       3.5504      0.00000
    151       3.5660      0.00000
    152       3.6477      0.00000
    153       3.6637      0.00000
    154       3.7033      0.00000
    155       3.7289      0.00000
    156       3.8973      0.00000
    157       3.9623      0.00000
    158       4.0386      0.00000
    159       4.0774      0.00000
    160       4.1862      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2845      1.00000
      2     -22.0799      1.00000
      3     -21.7215      1.00000
      4     -21.6822      1.00000
      5     -20.9839      1.00000
      6     -20.9362      1.00000
      7     -20.6125      1.00000
      8     -20.5803      1.00000
      9     -20.5667      1.00000
     10     -20.0333      1.00000
     11     -19.5143      1.00000
     12     -19.4842      1.00000
     13     -19.3123      1.00000
     14     -19.2993      1.00000
     15     -18.4506      1.00000
     16     -18.4074      1.00000
     17     -17.9283      1.00000
     18     -17.9079      1.00000
     19     -17.7668      1.00000
     20     -17.7218      1.00000
     21     -17.4423      1.00000
     22     -17.4238      1.00000
     23     -17.3389      1.00000
     24     -16.4714      1.00000
     25     -16.4612      1.00000
     26     -15.9714      1.00000
     27     -15.4115      1.00000
     28     -15.4106      1.00000
     29     -15.0964      1.00000
     30     -15.0934      1.00000
     31     -14.8536      1.00000
     32     -14.8412      1.00000
     33     -14.2984      1.00000
     34     -14.2547      1.00000
     35     -13.4448      1.00000
     36     -13.4010      1.00000
     37     -13.1755      1.00000
     38     -13.1741      1.00000
     39     -12.9865      1.00000
     40     -12.9775      1.00000
     41     -12.6110      1.00000
     42     -12.6089      1.00000
     43     -12.1974      1.00000
     44     -11.5798      1.00000
     45     -11.5387      1.00000
     46     -11.3137      1.00000
     47     -11.2834      1.00000
     48     -11.1425      1.00000
     49     -10.6926      1.00000
     50     -10.6633      1.00000
     51     -10.5475      1.00000
     52     -10.3228      1.00000
     53     -10.3151      1.00000
     54     -10.1762      1.00000
     55     -10.1215      1.00000
     56     -10.1082      1.00000
     57      -9.8120      1.00000
     58      -9.7530      1.00000
     59      -9.7525      1.00000
     60      -9.7027      1.00000
     61      -9.6988      1.00000
     62      -9.6473      1.00000
     63      -9.3530      1.00000
     64      -9.3516      1.00000
     65      -9.3180      1.00000
     66      -9.0282      1.00000
     67      -8.9619      1.00000
     68      -8.9581      1.00000
     69      -8.7758      1.00000
     70      -8.5917      1.00000
     71      -8.5886      1.00000
     72      -8.4241      1.00000
     73      -8.3500      1.00000
     74      -8.3226      1.00000
     75      -8.3024      1.00000
     76      -8.2658      1.00000
     77      -8.2542      1.00000
     78      -8.2394      1.00000
     79      -7.9217      1.00000
     80      -7.7341      1.00000
     81      -7.3799      1.00000
     82      -7.3503      1.00000
     83      -7.3237      1.00000
     84      -7.2176      1.00000
     85      -7.1605      1.00000
     86      -7.0654      1.00000
     87      -6.9610      1.00000
     88      -6.9054      1.00000
     89      -6.6134      1.00000
     90      -6.5569      1.00000
     91      -6.2709      1.00000
     92      -5.9968      1.00000
     93      -5.9596      1.00000
     94      -5.6754      1.00000
     95      -5.6488      1.00000
     96      -5.3875      1.00000
     97      -5.3152      1.00000
     98      -5.2941      1.00000
     99      -5.2121      1.00000
    100      -5.2005      1.00000
    101      -4.5115      1.00000
    102      -4.3388      1.00000
    103      -3.9965      1.00000
    104      -3.8860      1.00000
    105      -3.7929      1.00000
    106      -3.4433      1.00000
    107      -2.0345      0.00000
    108      -1.8634      0.00000
    109      -1.2176      0.00000
    110      -1.1842      0.00000
    111      -1.0358      0.00000
    112      -0.7722      0.00000
    113      -0.6773      0.00000
    114      -0.6599      0.00000
    115      -0.6096      0.00000
    116      -0.1017      0.00000
    117       0.2226      0.00000
    118       0.2397      0.00000
    119       0.7699      0.00000
    120       0.9841      0.00000
    121       1.0739      0.00000
    122       1.2416      0.00000
    123       1.2511      0.00000
    124       1.3410      0.00000
    125       1.5786      0.00000
    126       1.5852      0.00000
    127       1.7028      0.00000
    128       1.7983      0.00000
    129       1.9468      0.00000
    130       1.9625      0.00000
    131       2.0843      0.00000
    132       2.2940      0.00000
    133       2.3422      0.00000
    134       2.4166      0.00000
    135       2.5442      0.00000
    136       2.6292      0.00000
    137       2.7660      0.00000
    138       2.8297      0.00000
    139       2.8437      0.00000
    140       2.8682      0.00000
    141       3.0483      0.00000
    142       3.1007      0.00000
    143       3.1532      0.00000
    144       3.2222      0.00000
    145       3.3748      0.00000
    146       3.4143      0.00000
    147       3.5053      0.00000
    148       3.5520      0.00000
    149       3.5907      0.00000
    150       3.6116      0.00000
    151       3.6488      0.00000
    152       3.7358      0.00000
    153       3.7453      0.00000
    154       3.7780      0.00000
    155       3.8165      0.00000
    156       3.8770      0.00000
    157       4.0215      0.00000
    158       4.0869      0.00000
    159       4.1697      0.00000
    160       4.2126      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4276      1.00000
      2     -21.6044      1.00000
      3     -21.4827      1.00000
      4     -21.4736      1.00000
      5     -21.4420      1.00000
      6     -21.4412      1.00000
      7     -21.4311      1.00000
      8     -19.7085      1.00000
      9     -19.6536      1.00000
     10     -19.6303      1.00000
     11     -19.6193      1.00000
     12     -19.6140      1.00000
     13     -19.6130      1.00000
     14     -18.7906      1.00000
     15     -18.7555      1.00000
     16     -18.7357      1.00000
     17     -18.7262      1.00000
     18     -18.7190      1.00000
     19     -18.7137      1.00000
     20     -16.6354      1.00000
     21     -16.6096      1.00000
     22     -16.5852      1.00000
     23     -16.5818      1.00000
     24     -16.5548      1.00000
     25     -16.5531      1.00000
     26     -15.6154      1.00000
     27     -15.6027      1.00000
     28     -15.5994      1.00000
     29     -15.5653      1.00000
     30     -15.5636      1.00000
     31     -15.5626      1.00000
     32     -14.2604      1.00000
     33     -14.2511      1.00000
     34     -14.2411      1.00000
     35     -14.2361      1.00000
     36     -14.2229      1.00000
     37     -14.2200      1.00000
     38     -11.9061      1.00000
     39     -11.8791      1.00000
     40     -11.8680      1.00000
     41     -11.8658      1.00000
     42     -11.8451      1.00000
     43     -11.8449      1.00000
     44     -11.7716      1.00000
     45     -11.7689      1.00000
     46     -11.7362      1.00000
     47     -11.7295      1.00000
     48     -11.7253      1.00000
     49     -11.7228      1.00000
     50     -10.6766      1.00000
     51     -10.3890      1.00000
     52     -10.3840      1.00000
     53     -10.3771      1.00000
     54     -10.3693      1.00000
     55     -10.3560      1.00000
     56     -10.3539      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4060      1.00000
     60      -9.3630      1.00000
     61      -9.3624      1.00000
     62      -9.3546      1.00000
     63      -9.1426      1.00000
     64      -9.1220      1.00000
     65      -9.1213      1.00000
     66      -9.0849      1.00000
     67      -9.0720      1.00000
     68      -9.0714      1.00000
     69      -9.0712      1.00000
     70      -9.0642      1.00000
     71      -9.0642      1.00000
     72      -9.0385      1.00000
     73      -9.0290      1.00000
     74      -9.0258      1.00000
     75      -8.1301      1.00000
     76      -7.7458      1.00000
     77      -7.4688      1.00000
     78      -7.4667      1.00000
     79      -7.4539      1.00000
     80      -7.4342      1.00000
     81      -7.4247      1.00000
     82      -7.4066      1.00000
     83      -7.3130      1.00000
     84      -7.2713      1.00000
     85      -7.2576      1.00000
     86      -7.2491      1.00000
     87      -7.1508      1.00000
     88      -7.0494      1.00000
     89      -6.4464      1.00000
     90      -6.4161      1.00000
     91      -6.4005      1.00000
     92      -6.3638      1.00000
     93      -6.3531      1.00000
     94      -6.3408      1.00000
     95      -5.9585      1.00000
     96      -5.9582      1.00000
     97      -4.8064      1.00000
     98      -4.5444      1.00000
     99      -4.4815      1.00000
    100      -4.4744      1.00000
    101      -4.3823      1.00000
    102      -4.3817      1.00000
    103      -4.2678      1.00000
    104      -4.1873      1.00000
    105      -3.7393      1.00000
    106      -3.4776      1.00000
    107      -1.8619      0.00000
    108      -1.6706      0.00000
    109      -1.6241      0.00000
    110      -1.5913      0.00000
    111      -1.5759      0.00000
    112      -1.5749      0.00000
    113      -0.4288      0.00000
    114       0.1458      0.00000
    115       0.1920      0.00000
    116       0.2556      0.00000
    117       0.2675      0.00000
    118       0.2714      0.00000
    119       0.4771      0.00000
    120       0.5481      0.00000
    121       1.2481      0.00000
    122       1.2900      0.00000
    123       1.5380      0.00000
    124       1.7715      0.00000
    125       1.7742      0.00000
    126       1.7748      0.00000
    127       1.7983      0.00000
    128       1.8298      0.00000
    129       1.9587      0.00000
    130       1.9691      0.00000
    131       1.9745      0.00000
    132       1.9893      0.00000
    133       1.9964      0.00000
    134       2.0791      0.00000
    135       2.2509      0.00000
    136       2.3461      0.00000
    137       2.6113      0.00000
    138       2.6129      0.00000
    139       2.6401      0.00000
    140       2.7140      0.00000
    141       2.9360      0.00000
    142       3.0465      0.00000
    143       3.0615      0.00000
    144       3.0974      0.00000
    145       3.0988      0.00000
    146       3.1056      0.00000
    147       3.1059      0.00000
    148       3.2788      0.00000
    149       3.4510      0.00000
    150       3.5090      0.00000
    151       3.8254      0.00000
    152       3.9600      0.00000
    153       3.9620      0.00000
    154       3.9652      0.00000
    155       3.9724      0.00000
    156       3.9997      0.00000
    157       4.1883      0.00000
    158       4.2625      0.00000
    159       4.2751      0.00000
    160       4.2839      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8318      1.00000
      3     -21.6395      1.00000
      4     -21.6116      1.00000
      5     -21.2759      1.00000
      6     -21.2365      1.00000
      7     -21.0581      1.00000
      8     -20.1688      1.00000
      9     -20.1305      1.00000
     10     -19.6096      1.00000
     11     -19.5986      1.00000
     12     -19.4182      1.00000
     13     -19.0906      1.00000
     14     -19.0609      1.00000
     15     -19.0498      1.00000
     16     -19.0424      1.00000
     17     -18.3615      1.00000
     18     -18.3531      1.00000
     19     -18.0198      1.00000
     20     -17.0698      1.00000
     21     -17.0311      1.00000
     22     -16.9445      1.00000
     23     -16.9406      1.00000
     24     -16.4685      1.00000
     25     -16.4638      1.00000
     26     -15.6149      1.00000
     27     -15.6081      1.00000
     28     -15.2533      1.00000
     29     -15.2442      1.00000
     30     -15.1854      1.00000
     31     -15.0985      1.00000
     32     -15.0717      1.00000
     33     -14.6992      1.00000
     34     -14.6972      1.00000
     35     -13.7270      1.00000
     36     -13.7245      1.00000
     37     -13.2362      1.00000
     38     -12.6146      1.00000
     39     -12.5844      1.00000
     40     -12.4549      1.00000
     41     -12.4512      1.00000
     42     -12.1097      1.00000
     43     -12.1051      1.00000
     44     -11.7179      1.00000
     45     -11.6870      1.00000
     46     -11.2355      1.00000
     47     -11.2262      1.00000
     48     -11.0182      1.00000
     49     -11.0102      1.00000
     50     -10.9272      1.00000
     51     -10.9058      1.00000
     52     -10.6317      1.00000
     53     -10.1554      1.00000
     54     -10.1513      1.00000
     55     -10.0921      1.00000
     56      -9.9990      1.00000
     57      -9.7033      1.00000
     58      -9.6953      1.00000
     59      -9.6565      1.00000
     60      -9.5922      1.00000
     61      -9.5771      1.00000
     62      -9.5591      1.00000
     63      -9.3074      1.00000
     64      -9.3036      1.00000
     65      -9.2746      1.00000
     66      -9.2370      1.00000
     67      -9.1372      1.00000
     68      -9.1154      1.00000
     69      -9.1117      1.00000
     70      -8.9402      1.00000
     71      -8.8725      1.00000
     72      -8.6046      1.00000
     73      -8.5910      1.00000
     74      -8.2368      1.00000
     75      -8.1006      1.00000
     76      -7.9135      1.00000
     77      -7.8641      1.00000
     78      -7.7719      1.00000
     79      -7.7570      1.00000
     80      -7.6923      1.00000
     81      -7.5607      1.00000
     82      -7.3390      1.00000
     83      -7.3229      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0125      1.00000
     88      -6.7047      1.00000
     89      -6.6784      1.00000
     90      -6.6413      1.00000
     91      -6.5979      1.00000
     92      -6.1159      1.00000
     93      -6.0624      1.00000
     94      -6.0313      1.00000
     95      -6.0116      1.00000
     96      -5.7835      1.00000
     97      -4.9745      1.00000
     98      -4.8322      1.00000
     99      -4.7471      1.00000
    100      -4.6795      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1719      1.00000
    104      -4.1280      1.00000
    105      -3.7296      1.00000
    106      -3.4878      1.00000
    107      -1.8703      0.00000
    108      -1.8089      0.00000
    109      -1.5244      0.00000
    110      -1.3776      0.00000
    111      -1.3214      0.00000
    112      -1.2880      0.00000
    113      -0.7199      0.00000
    114      -0.3760      0.00000
    115      -0.2499      0.00000
    116       0.0369      0.00000
    117       0.5560      0.00000
    118       0.6985      0.00000
    119       0.7464      0.00000
    120       1.0480      0.00000
    121       1.1000      0.00000
    122       1.1498      0.00000
    123       1.2274      0.00000
    124       1.3779      0.00000
    125       1.5241      0.00000
    126       1.5840      0.00000
    127       1.7154      0.00000
    128       1.8140      0.00000
    129       1.8578      0.00000
    130       1.8817      0.00000
    131       2.0965      0.00000
    132       2.1875      0.00000
    133       2.2417      0.00000
    134       2.3071      0.00000
    135       2.5145      0.00000
    136       2.5902      0.00000
    137       2.6405      0.00000
    138       2.7800      0.00000
    139       2.7970      0.00000
    140       2.8268      0.00000
    141       2.8593      0.00000
    142       2.9016      0.00000
    143       2.9428      0.00000
    144       3.0824      0.00000
    145       3.1547      0.00000
    146       3.3187      0.00000
    147       3.3834      0.00000
    148       3.4293      0.00000
    149       3.4694      0.00000
    150       3.6196      0.00000
    151       3.6472      0.00000
    152       3.6698      0.00000
    153       3.7150      0.00000
    154       3.9127      0.00000
    155       3.9615      0.00000
    156       4.0177      0.00000
    157       4.0681      0.00000
    158       4.2402      0.00000
    159       4.2531      0.00000
    160       4.2766      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2849      1.00000
      2     -22.0793      1.00000
      3     -21.7179      1.00000
      4     -21.6861      1.00000
      5     -20.9806      1.00000
      6     -20.9400      1.00000
      7     -20.6130      1.00000
      8     -20.5763      1.00000
      9     -20.5701      1.00000
     10     -20.0337      1.00000
     11     -19.5044      1.00000
     12     -19.4927      1.00000
     13     -19.3078      1.00000
     14     -19.3026      1.00000
     15     -18.4486      1.00000
     16     -18.4119      1.00000
     17     -17.9231      1.00000
     18     -17.9137      1.00000
     19     -17.7624      1.00000
     20     -17.7266      1.00000
     21     -17.4366      1.00000
     22     -17.4292      1.00000
     23     -17.3415      1.00000
     24     -16.4635      1.00000
     25     -16.4623      1.00000
     26     -15.9678      1.00000
     27     -15.4151      1.00000
     28     -15.4096      1.00000
     29     -15.0973      1.00000
     30     -15.0939      1.00000
     31     -14.8555      1.00000
     32     -14.8479      1.00000
     33     -14.2908      1.00000
     34     -14.2580      1.00000
     35     -13.4371      1.00000
     36     -13.4046      1.00000
     37     -13.1779      1.00000
     38     -13.1746      1.00000
     39     -12.9826      1.00000
     40     -12.9777      1.00000
     41     -12.6134      1.00000
     42     -12.6103      1.00000
     43     -12.1981      1.00000
     44     -11.5771      1.00000
     45     -11.5434      1.00000
     46     -11.3112      1.00000
     47     -11.2884      1.00000
     48     -11.1423      1.00000
     49     -10.6767      1.00000
     50     -10.6607      1.00000
     51     -10.5537      1.00000
     52     -10.3238      1.00000
     53     -10.3181      1.00000
     54     -10.1699      1.00000
     55     -10.1156      1.00000
     56     -10.1130      1.00000
     57      -9.7988      1.00000
     58      -9.7652      1.00000
     59      -9.7524      1.00000
     60      -9.7004      1.00000
     61      -9.6972      1.00000
     62      -9.6627      1.00000
     63      -9.3546      1.00000
     64      -9.3518      1.00000
     65      -9.3159      1.00000
     66      -9.0415      1.00000
     67      -8.9624      1.00000
     68      -8.9499      1.00000
     69      -8.8000      1.00000
     70      -8.5952      1.00000
     71      -8.5581      1.00000
     72      -8.3988      1.00000
     73      -8.3653      1.00000
     74      -8.3247      1.00000
     75      -8.3073      1.00000
     76      -8.2590      1.00000
     77      -8.2574      1.00000
     78      -8.2366      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3866      1.00000
     83      -7.3495      1.00000
     84      -7.2309      1.00000
     85      -7.0967      1.00000
     86      -7.0391      1.00000
     87      -6.9342      1.00000
     88      -6.8483      1.00000
     89      -6.6127      1.00000
     90      -6.5588      1.00000
     91      -6.2698      1.00000
     92      -6.0440      1.00000
     93      -5.9518      1.00000
     94      -5.6629      1.00000
     95      -5.6228      1.00000
     96      -5.4633      1.00000
     97      -5.3201      1.00000
     98      -5.2790      1.00000
     99      -5.2140      1.00000
    100      -5.1940      1.00000
    101      -4.5085      1.00000
    102      -4.2077      1.00000
    103      -4.0593      1.00000
    104      -3.9892      1.00000
    105      -3.6943      1.00000
    106      -3.4980      1.00000
    107      -1.9462      0.00000
    108      -1.8963      0.00000
    109      -1.3390      0.00000
    110      -1.0849      0.00000
    111      -1.0582      0.00000
    112      -0.8003      0.00000
    113      -0.6776      0.00000
    114      -0.6468      0.00000
    115      -0.6072      0.00000
    116      -0.1080      0.00000
    117       0.2155      0.00000
    118       0.3291      0.00000
    119       0.6944      0.00000
    120       0.8877      0.00000
    121       1.1273      0.00000
    122       1.1992      0.00000
    123       1.3265      0.00000
    124       1.4212      0.00000
    125       1.5545      0.00000
    126       1.5764      0.00000
    127       1.6804      0.00000
    128       1.8082      0.00000
    129       1.8838      0.00000
    130       2.0562      0.00000
    131       2.1233      0.00000
    132       2.3265      0.00000
    133       2.3590      0.00000
    134       2.3964      0.00000
    135       2.5472      0.00000
    136       2.6312      0.00000
    137       2.7300      0.00000
    138       2.7574      0.00000
    139       2.8267      0.00000
    140       2.8831      0.00000
    141       3.0488      0.00000
    142       3.0586      0.00000
    143       3.1646      0.00000
    144       3.2652      0.00000
    145       3.3615      0.00000
    146       3.4160      0.00000
    147       3.4340      0.00000
    148       3.5674      0.00000
    149       3.5850      0.00000
    150       3.6020      0.00000
    151       3.6603      0.00000
    152       3.6756      0.00000
    153       3.7812      0.00000
    154       3.8018      0.00000
    155       3.8075      0.00000
    156       3.8943      0.00000
    157       3.9228      0.00000
    158       3.9946      0.00000
    159       4.2156      0.00000
    160       4.2262      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.9641      1.00000
      3     -21.8950      1.00000
      4     -21.3822      1.00000
      5     -21.3530      1.00000
      6     -20.8409      1.00000
      7     -20.7756      1.00000
      8     -20.6253      1.00000
      9     -20.0787      1.00000
     10     -20.0731      1.00000
     11     -19.7179      1.00000
     12     -19.6934      1.00000
     13     -18.9975      1.00000
     14     -18.9916      1.00000
     15     -18.6416      1.00000
     16     -18.6257      1.00000
     17     -18.4630      1.00000
     18     -17.6761      1.00000
     19     -17.6257      1.00000
     20     -17.6228      1.00000
     21     -17.5810      1.00000
     22     -17.1273      1.00000
     23     -17.1058      1.00000
     24     -16.9627      1.00000
     25     -16.0023      1.00000
     26     -15.9305      1.00000
     27     -15.5865      1.00000
     28     -15.5862      1.00000
     29     -15.2876      1.00000
     30     -14.8648      1.00000
     31     -14.8375      1.00000
     32     -14.5795      1.00000
     33     -14.5376      1.00000
     34     -14.1694      1.00000
     35     -14.1558      1.00000
     36     -13.1485      1.00000
     37     -13.1013      1.00000
     38     -13.0302      1.00000
     39     -13.0200      1.00000
     40     -12.7095      1.00000
     41     -12.7053      1.00000
     42     -12.3423      1.00000
     43     -12.3110      1.00000
     44     -11.6365      1.00000
     45     -11.6229      1.00000
     46     -11.5727      1.00000
     47     -10.9501      1.00000
     48     -10.9170      1.00000
     49     -10.6329      1.00000
     50     -10.6248      1.00000
     51     -10.5479      1.00000
     52     -10.5002      1.00000
     53     -10.4999      1.00000
     54     -10.4399      1.00000
     55     -10.3607      1.00000
     56     -10.1001      1.00000
     57      -9.9042      1.00000
     58      -9.6088      1.00000
     59      -9.5565      1.00000
     60      -9.4530      1.00000
     61      -9.4126      1.00000
     62      -9.4057      1.00000
     63      -9.3776      1.00000
     64      -9.3772      1.00000
     65      -9.2880      1.00000
     66      -9.1691      1.00000
     67      -9.1435      1.00000
     68      -9.1152      1.00000
     69      -8.8652      1.00000
     70      -8.8576      1.00000
     71      -8.8157      1.00000
     72      -8.5975      1.00000
     73      -8.4805      1.00000
     74      -8.1991      1.00000
     75      -8.1637      1.00000
     76      -8.0093      1.00000
     77      -7.9640      1.00000
     78      -7.8507      1.00000
     79      -7.8406      1.00000
     80      -7.7044      1.00000
     81      -7.6971      1.00000
     82      -7.6224      1.00000
     83      -7.4490      1.00000
     84      -7.3009      1.00000
     85      -7.2533      1.00000
     86      -6.9065      1.00000
     87      -6.8928      1.00000
     88      -6.5890      1.00000
     89      -6.5515      1.00000
     90      -6.4062      1.00000
     91      -6.2537      1.00000
     92      -6.2330      1.00000
     93      -6.2055      1.00000
     94      -6.0232      1.00000
     95      -5.5502      1.00000
     96      -5.4891      1.00000
     97      -5.3505      1.00000
     98      -5.2198      1.00000
     99      -4.9795      1.00000
    100      -4.7327      1.00000
    101      -4.6781      1.00000
    102      -4.3875      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5464      1.00000
    106      -3.5100      1.00000
    107      -2.2563      0.00000
    108      -1.4566      0.00000
    109      -1.3713      0.00000
    110      -1.2418      0.00000
    111      -1.0979      0.00000
    112      -0.9450      0.00000
    113      -0.8637      0.00000
    114      -0.8033      0.00000
    115      -0.1393      0.00000
    116       0.1111      0.00000
    117       0.2407      0.00000
    118       0.3777      0.00000
    119       0.6519      0.00000
    120       0.8359      0.00000
    121       0.9366      0.00000
    122       1.0639      0.00000
    123       1.2336      0.00000
    124       1.4483      0.00000
    125       1.5515      0.00000
    126       1.7664      0.00000
    127       1.7934      0.00000
    128       1.8740      0.00000
    129       1.9703      0.00000
    130       2.0444      0.00000
    131       2.1770      0.00000
    132       2.1936      0.00000
    133       2.4111      0.00000
    134       2.4595      0.00000
    135       2.5294      0.00000
    136       2.6043      0.00000
    137       2.6377      0.00000
    138       2.6960      0.00000
    139       2.7800      0.00000
    140       2.8354      0.00000
    141       2.9501      0.00000
    142       3.0849      0.00000
    143       3.2024      0.00000
    144       3.2094      0.00000
    145       3.2577      0.00000
    146       3.3263      0.00000
    147       3.3327      0.00000
    148       3.4677      0.00000
    149       3.5006      0.00000
    150       3.6984      0.00000
    151       3.7114      0.00000
    152       3.7269      0.00000
    153       3.8582      0.00000
    154       3.9132      0.00000
    155       3.9482      0.00000
    156       3.9811      0.00000
    157       4.0151      0.00000
    158       4.0343      0.00000
    159       4.0511      0.00000
    160       4.0695      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2119      1.00000
      2     -22.1189      1.00000
      3     -21.9582      1.00000
      4     -21.4057      1.00000
      5     -21.0511      1.00000
      6     -21.0151      1.00000
      7     -20.5019      1.00000
      8     -20.4625      1.00000
      9     -20.2961      1.00000
     10     -20.2768      1.00000
     11     -19.9587      1.00000
     12     -19.8930      1.00000
     13     -18.8836      1.00000
     14     -18.8148      1.00000
     15     -18.3538      1.00000
     16     -18.3076      1.00000
     17     -18.1540      1.00000
     18     -18.1368      1.00000
     19     -17.8277      1.00000
     20     -17.7901      1.00000
     21     -17.2525      1.00000
     22     -17.2425      1.00000
     23     -17.1655      1.00000
     24     -17.1337      1.00000
     25     -16.1110      1.00000
     26     -15.8865      1.00000
     27     -15.8712      1.00000
     28     -15.8350      1.00000
     29     -15.2371      1.00000
     30     -14.5559      1.00000
     31     -14.5280      1.00000
     32     -14.2808      1.00000
     33     -13.9645      1.00000
     34     -13.9570      1.00000
     35     -13.8209      1.00000
     36     -13.8051      1.00000
     37     -13.6154      1.00000
     38     -13.5716      1.00000
     39     -13.3710      1.00000
     40     -12.6354      1.00000
     41     -12.1816      1.00000
     42     -12.1336      1.00000
     43     -12.0730      1.00000
     44     -12.0207      1.00000
     45     -11.6701      1.00000
     46     -11.6566      1.00000
     47     -11.1395      1.00000
     48     -11.1189      1.00000
     49     -10.7954      1.00000
     50     -10.7319      1.00000
     51     -10.5294      1.00000
     52     -10.2091      1.00000
     53     -10.2064      1.00000
     54     -10.1654      1.00000
     55     -10.0184      1.00000
     56     -10.0049      1.00000
     57      -9.9913      1.00000
     58      -9.8018      1.00000
     59      -9.7980      1.00000
     60      -9.7627      1.00000
     61      -9.7579      1.00000
     62      -9.4552      1.00000
     63      -9.4180      1.00000
     64      -9.0810      1.00000
     65      -9.0729      1.00000
     66      -9.0413      1.00000
     67      -8.9558      1.00000
     68      -8.8778      1.00000
     69      -8.7126      1.00000
     70      -8.7003      1.00000
     71      -8.5664      1.00000
     72      -8.5435      1.00000
     73      -8.4998      1.00000
     74      -8.4630      1.00000
     75      -8.4538      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0438      1.00000
     79      -7.9160      1.00000
     80      -7.8635      1.00000
     81      -7.6152      1.00000
     82      -7.5489      1.00000
     83      -7.4902      1.00000
     84      -7.2681      1.00000
     85      -6.9955      1.00000
     86      -6.9233      1.00000
     87      -6.8823      1.00000
     88      -6.5327      1.00000
     89      -6.4874      1.00000
     90      -6.4615      1.00000
     91      -6.4105      1.00000
     92      -5.9841      1.00000
     93      -5.8976      1.00000
     94      -5.7847      1.00000
     95      -5.7598      1.00000
     96      -5.4323      1.00000
     97      -5.3294      1.00000
     98      -5.2304      1.00000
     99      -5.2179      1.00000
    100      -5.1885      1.00000
    101      -4.6922      1.00000
    102      -4.4215      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5291      1.00000
    106      -3.2742      1.00000
    107      -2.5312      0.00000
    108      -1.4581      0.00000
    109      -1.2667      0.00000
    110      -1.2029      0.00000
    111      -1.1725      0.00000
    112      -0.7196      0.00000
    113      -0.5035      0.00000
    114      -0.4119      0.00000
    115      -0.3395      0.00000
    116      -0.1459      0.00000
    117      -0.0028      0.00000
    118       0.1939      0.00000
    119       0.5613      0.00000
    120       0.6125      0.00000
    121       0.7964      0.00000
    122       0.9071      0.00000
    123       1.1327      0.00000
    124       1.4942      0.00000
    125       1.6351      0.00000
    126       1.8546      0.00000
    127       1.9277      0.00000
    128       2.1062      0.00000
    129       2.1165      0.00000
    130       2.1510      0.00000
    131       2.1875      0.00000
    132       2.2799      0.00000
    133       2.3394      0.00000
    134       2.4683      0.00000
    135       2.5810      0.00000
    136       2.6585      0.00000
    137       2.8551      0.00000
    138       2.8717      0.00000
    139       2.8940      0.00000
    140       3.0202      0.00000
    141       3.0275      0.00000
    142       3.1409      0.00000
    143       3.1818      0.00000
    144       3.2349      0.00000
    145       3.2752      0.00000
    146       3.2848      0.00000
    147       3.3007      0.00000
    148       3.3470      0.00000
    149       3.4240      0.00000
    150       3.4451      0.00000
    151       3.5536      0.00000
    152       3.6236      0.00000
    153       3.7075      0.00000
    154       3.7315      0.00000
    155       3.7736      0.00000
    156       3.8950      0.00000
    157       3.9424      0.00000
    158       4.0066      0.00000
    159       4.1328      0.00000
    160       4.2251      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3187      1.00000
      2     -21.9657      1.00000
      3     -21.8935      1.00000
      4     -21.3859      1.00000
      5     -21.3495      1.00000
      6     -20.8407      1.00000
      7     -20.7743      1.00000
      8     -20.6262      1.00000
      9     -20.0907      1.00000
     10     -20.0619      1.00000
     11     -19.7195      1.00000
     12     -19.6907      1.00000
     13     -19.0108      1.00000
     14     -18.9797      1.00000
     15     -18.6507      1.00000
     16     -18.6180      1.00000
     17     -18.4616      1.00000
     18     -17.6613      1.00000
     19     -17.6476      1.00000
     20     -17.6114      1.00000
     21     -17.5789      1.00000
     22     -17.1380      1.00000
     23     -17.0981      1.00000
     24     -16.9664      1.00000
     25     -16.0087      1.00000
     26     -15.9239      1.00000
     27     -15.5998      1.00000
     28     -15.5762      1.00000
     29     -15.2804      1.00000
     30     -14.8775      1.00000
     31     -14.8304      1.00000
     32     -14.5753      1.00000
     33     -14.5375      1.00000
     34     -14.1644      1.00000
     35     -14.1603      1.00000
     36     -13.1627      1.00000
     37     -13.0969      1.00000
     38     -13.0238      1.00000
     39     -13.0190      1.00000
     40     -12.7185      1.00000
     41     -12.6952      1.00000
     42     -12.3414      1.00000
     43     -12.3142      1.00000
     44     -11.6318      1.00000
     45     -11.6227      1.00000
     46     -11.5707      1.00000
     47     -10.9412      1.00000
     48     -10.9234      1.00000
     49     -10.6695      1.00000
     50     -10.5902      1.00000
     51     -10.5736      1.00000
     52     -10.5011      1.00000
     53     -10.4897      1.00000
     54     -10.4394      1.00000
     55     -10.3568      1.00000
     56     -10.1045      1.00000
     57      -9.8985      1.00000
     58      -9.6092      1.00000
     59      -9.5520      1.00000
     60      -9.4548      1.00000
     61      -9.4181      1.00000
     62      -9.4099      1.00000
     63      -9.3799      1.00000
     64      -9.3728      1.00000
     65      -9.2681      1.00000
     66      -9.1653      1.00000
     67      -9.1413      1.00000
     68      -9.1159      1.00000
     69      -8.8663      1.00000
     70      -8.8603      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1932      1.00000
     75      -8.1706      1.00000
     76      -8.0762      1.00000
     77      -7.8580      1.00000
     78      -7.8372      1.00000
     79      -7.8242      1.00000
     80      -7.7106      1.00000
     81      -7.6962      1.00000
     82      -7.5978      1.00000
     83      -7.5301      1.00000
     84      -7.3507      1.00000
     85      -7.1680      1.00000
     86      -6.9052      1.00000
     87      -6.8959      1.00000
     88      -6.5928      1.00000
     89      -6.5516      1.00000
     90      -6.4062      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2010      1.00000
     94      -6.0042      1.00000
     95      -5.5320      1.00000
     96      -5.4654      1.00000
     97      -5.3143      1.00000
     98      -5.2097      1.00000
     99      -5.0470      1.00000
    100      -4.7236      1.00000
    101      -4.6717      1.00000
    102      -4.4239      1.00000
    103      -4.1948      1.00000
    104      -3.8428      1.00000
    105      -3.6345      1.00000
    106      -3.4163      1.00000
    107      -2.2925      0.00000
    108      -1.5093      0.00000
    109      -1.2700      0.00000
    110      -1.2623      0.00000
    111      -1.0343      0.00000
    112      -0.9778      0.00000
    113      -0.8681      0.00000
    114      -0.7998      0.00000
    115      -0.2616      0.00000
    116       0.2044      0.00000
    117       0.2395      0.00000
    118       0.3600      0.00000
    119       0.6910      0.00000
    120       0.8942      0.00000
    121       0.9239      0.00000
    122       1.0406      0.00000
    123       1.1671      0.00000
    124       1.5100      0.00000
    125       1.5602      0.00000
    126       1.7112      0.00000
    127       1.7789      0.00000
    128       1.8339      0.00000
    129       1.9631      0.00000
    130       1.9857      0.00000
    131       2.1842      0.00000
    132       2.2629      0.00000
    133       2.4162      0.00000
    134       2.4657      0.00000
    135       2.5272      0.00000
    136       2.6008      0.00000
    137       2.6188      0.00000
    138       2.6995      0.00000
    139       2.7596      0.00000
    140       2.8645      0.00000
    141       3.0366      0.00000
    142       3.0830      0.00000
    143       3.1898      0.00000
    144       3.2461      0.00000
    145       3.2594      0.00000
    146       3.2986      0.00000
    147       3.3581      0.00000
    148       3.4528      0.00000
    149       3.5212      0.00000
    150       3.6922      0.00000
    151       3.7173      0.00000
    152       3.7483      0.00000
    153       3.8312      0.00000
    154       3.8915      0.00000
    155       3.9344      0.00000
    156       3.9799      0.00000
    157       4.0096      0.00000
    158       4.0413      0.00000
    159       4.0482      0.00000
    160       4.0844      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8321      1.00000
      3     -21.6427      1.00000
      4     -21.6077      1.00000
      5     -21.2800      1.00000
      6     -21.2330      1.00000
      7     -21.0577      1.00000
      8     -20.1726      1.00000
      9     -20.1264      1.00000
     10     -19.6179      1.00000
     11     -19.5917      1.00000
     12     -19.4167      1.00000
     13     -19.0956      1.00000
     14     -19.0569      1.00000
     15     -19.0525      1.00000
     16     -19.0397      1.00000
     17     -18.3676      1.00000
     18     -18.3479      1.00000
     19     -18.0175      1.00000
     20     -17.0731      1.00000
     21     -17.0243      1.00000
     22     -16.9503      1.00000
     23     -16.9365      1.00000
     24     -16.4753      1.00000
     25     -16.4634      1.00000
     26     -15.6101      1.00000
     27     -15.6096      1.00000
     28     -15.2505      1.00000
     29     -15.2384      1.00000
     30     -15.1923      1.00000
     31     -15.1022      1.00000
     32     -15.0692      1.00000
     33     -14.6988      1.00000
     34     -14.6979      1.00000
     35     -13.7254      1.00000
     36     -13.7253      1.00000
     37     -13.2359      1.00000
     38     -12.6247      1.00000
     39     -12.5806      1.00000
     40     -12.4555      1.00000
     41     -12.4501      1.00000
     42     -12.1053      1.00000
     43     -12.1004      1.00000
     44     -11.7219      1.00000
     45     -11.6833      1.00000
     46     -11.2456      1.00000
     47     -11.2249      1.00000
     48     -11.0182      1.00000
     49     -11.0065      1.00000
     50     -10.9280      1.00000
     51     -10.8994      1.00000
     52     -10.6377      1.00000
     53     -10.1729      1.00000
     54     -10.1500      1.00000
     55     -10.0852      1.00000
     56      -9.9927      1.00000
     57      -9.6966      1.00000
     58      -9.6901      1.00000
     59      -9.6710      1.00000
     60      -9.5915      1.00000
     61      -9.5675      1.00000
     62      -9.5543      1.00000
     63      -9.3132      1.00000
     64      -9.3006      1.00000
     65      -9.2837      1.00000
     66      -9.2431      1.00000
     67      -9.1227      1.00000
     68      -9.1130      1.00000
     69      -9.1113      1.00000
     70      -8.9401      1.00000
     71      -8.8753      1.00000
     72      -8.6049      1.00000
     73      -8.5862      1.00000
     74      -8.2712      1.00000
     75      -8.1016      1.00000
     76      -7.8676      1.00000
     77      -7.8440      1.00000
     78      -7.7907      1.00000
     79      -7.7650      1.00000
     80      -7.7560      1.00000
     81      -7.4473      1.00000
     82      -7.3350      1.00000
     83      -7.3235      1.00000
     84      -7.2664      1.00000
     85      -7.1628      1.00000
     86      -7.0148      1.00000
     87      -6.9867      1.00000
     88      -6.7179      1.00000
     89      -6.6908      1.00000
     90      -6.6319      1.00000
     91      -6.5908      1.00000
     92      -6.1179      1.00000
     93      -6.0590      1.00000
     94      -6.0448      1.00000
     95      -6.0286      1.00000
     96      -5.7481      1.00000
     97      -4.9748      1.00000
     98      -4.8397      1.00000
     99      -4.7091      1.00000
    100      -4.6735      1.00000
    101      -4.4837      1.00000
    102      -4.3523      1.00000
    103      -4.1119      1.00000
    104      -4.0556      1.00000
    105      -3.7550      1.00000
    106      -3.4654      1.00000
    107      -1.9506      0.00000
    108      -1.7711      0.00000
    109      -1.4798      0.00000
    110      -1.3555      0.00000
    111      -1.3359      0.00000
    112      -1.2926      0.00000
    113      -0.6785      0.00000
    114      -0.4719      0.00000
    115      -0.2354      0.00000
    116       0.0516      0.00000
    117       0.5877      0.00000
    118       0.6924      0.00000
    119       0.7701      0.00000
    120       1.0228      0.00000
    121       1.0970      0.00000
    122       1.1768      0.00000
    123       1.2501      0.00000
    124       1.3349      0.00000
    125       1.4338      0.00000
    126       1.6003      0.00000
    127       1.7632      0.00000
    128       1.8429      0.00000
    129       1.8600      0.00000
    130       1.8877      0.00000
    131       2.0453      0.00000
    132       2.2177      0.00000
    133       2.2331      0.00000
    134       2.2868      0.00000
    135       2.4806      0.00000
    136       2.6194      0.00000
    137       2.6420      0.00000
    138       2.7537      0.00000
    139       2.7962      0.00000
    140       2.8363      0.00000
    141       2.8482      0.00000
    142       2.8708      0.00000
    143       2.9469      0.00000
    144       3.0865      0.00000
    145       3.3156      0.00000
    146       3.3552      0.00000
    147       3.4065      0.00000
    148       3.4193      0.00000
    149       3.4251      0.00000
    150       3.6038      0.00000
    151       3.6505      0.00000
    152       3.6781      0.00000
    153       3.7317      0.00000
    154       3.8964      0.00000
    155       3.9256      0.00000
    156       3.9567      0.00000
    157       4.1075      0.00000
    158       4.2067      0.00000
    159       4.2582      0.00000
    160       4.2844      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2110      1.00000
      2     -22.1202      1.00000
      3     -21.9579      1.00000
      4     -21.4058      1.00000
      5     -21.0472      1.00000
      6     -21.0189      1.00000
      7     -20.4971      1.00000
      8     -20.4672      1.00000
      9     -20.2873      1.00000
     10     -20.2853      1.00000
     11     -19.9576      1.00000
     12     -19.8945      1.00000
     13     -18.8842      1.00000
     14     -18.8166      1.00000
     15     -18.3386      1.00000
     16     -18.3195      1.00000
     17     -18.1499      1.00000
     18     -18.1424      1.00000
     19     -17.8166      1.00000
     20     -17.7985      1.00000
     21     -17.2587      1.00000
     22     -17.2391      1.00000
     23     -17.1608      1.00000
     24     -17.1360      1.00000
     25     -16.1175      1.00000
     26     -15.8812      1.00000
     27     -15.8701      1.00000
     28     -15.8409      1.00000
     29     -15.2314      1.00000
     30     -14.5513      1.00000
     31     -14.5330      1.00000
     32     -14.2761      1.00000
     33     -13.9756      1.00000
     34     -13.9519      1.00000
     35     -13.8253      1.00000
     36     -13.8030      1.00000
     37     -13.6044      1.00000
     38     -13.5792      1.00000
     39     -13.3712      1.00000
     40     -12.6396      1.00000
     41     -12.1691      1.00000
     42     -12.1428      1.00000
     43     -12.0685      1.00000
     44     -12.0217      1.00000
     45     -11.6655      1.00000
     46     -11.6608      1.00000
     47     -11.1369      1.00000
     48     -11.1258      1.00000
     49     -10.7905      1.00000
     50     -10.7344      1.00000
     51     -10.5361      1.00000
     52     -10.2090      1.00000
     53     -10.2028      1.00000
     54     -10.1711      1.00000
     55     -10.0233      1.00000
     56      -9.9948      1.00000
     57      -9.9907      1.00000
     58      -9.8055      1.00000
     59      -9.7965      1.00000
     60      -9.7649      1.00000
     61      -9.7569      1.00000
     62      -9.4544      1.00000
     63      -9.4179      1.00000
     64      -9.0852      1.00000
     65      -9.0463      1.00000
     66      -9.0260      1.00000
     67      -8.9698      1.00000
     68      -8.8982      1.00000
     69      -8.7086      1.00000
     70      -8.6994      1.00000
     71      -8.5600      1.00000
     72      -8.5493      1.00000
     73      -8.4782      1.00000
     74      -8.4599      1.00000
     75      -8.4571      1.00000
     76      -8.3087      1.00000
     77      -8.0955      1.00000
     78      -8.0896      1.00000
     79      -7.9269      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5369      1.00000
     83      -7.4437      1.00000
     84      -7.3142      1.00000
     85      -6.9942      1.00000
     86      -6.9195      1.00000
     87      -6.8825      1.00000
     88      -6.5277      1.00000
     89      -6.5149      1.00000
     90      -6.4809      1.00000
     91      -6.4208      1.00000
     92      -5.9273      1.00000
     93      -5.9054      1.00000
     94      -5.7890      1.00000
     95      -5.7751      1.00000
     96      -5.3695      1.00000
     97      -5.3633      1.00000
     98      -5.2205      1.00000
     99      -5.2155      1.00000
    100      -5.1989      1.00000
    101      -4.7204      1.00000
    102      -4.4423      1.00000
    103      -4.1909      1.00000
    104      -3.8204      1.00000
    105      -3.5655      1.00000
    106      -3.2215      1.00000
    107      -2.5626      0.00000
    108      -1.4632      0.00000
    109      -1.2673      0.00000
    110      -1.1852      0.00000
    111      -1.1837      0.00000
    112      -0.6447      0.00000
    113      -0.5514      0.00000
    114      -0.4147      0.00000
    115      -0.3474      0.00000
    116      -0.0776      0.00000
    117      -0.0633      0.00000
    118       0.1259      0.00000
    119       0.5931      0.00000
    120       0.6265      0.00000
    121       0.8553      0.00000
    122       0.9859      0.00000
    123       1.0035      0.00000
    124       1.4943      0.00000
    125       1.6841      0.00000
    126       1.7667      0.00000
    127       1.8619      0.00000
    128       2.1147      0.00000
    129       2.1457      0.00000
    130       2.1893      0.00000
    131       2.2103      0.00000
    132       2.2564      0.00000
    133       2.3539      0.00000
    134       2.4944      0.00000
    135       2.5109      0.00000
    136       2.6661      0.00000
    137       2.8526      0.00000
    138       2.8595      0.00000
    139       2.9544      0.00000
    140       3.0079      0.00000
    141       3.0418      0.00000
    142       3.1358      0.00000
    143       3.1942      0.00000
    144       3.2456      0.00000
    145       3.2536      0.00000
    146       3.2808      0.00000
    147       3.3035      0.00000
    148       3.3548      0.00000
    149       3.4200      0.00000
    150       3.5504      0.00000
    151       3.5660      0.00000
    152       3.6477      0.00000
    153       3.6637      0.00000
    154       3.7033      0.00000
    155       3.7289      0.00000
    156       3.8973      0.00000
    157       3.9623      0.00000
    158       4.0386      0.00000
    159       4.0774      0.00000
    160       4.1862      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2845      1.00000
      2     -22.0799      1.00000
      3     -21.7215      1.00000
      4     -21.6822      1.00000
      5     -20.9839      1.00000
      6     -20.9362      1.00000
      7     -20.6125      1.00000
      8     -20.5803      1.00000
      9     -20.5667      1.00000
     10     -20.0333      1.00000
     11     -19.5143      1.00000
     12     -19.4842      1.00000
     13     -19.3123      1.00000
     14     -19.2993      1.00000
     15     -18.4506      1.00000
     16     -18.4074      1.00000
     17     -17.9283      1.00000
     18     -17.9079      1.00000
     19     -17.7668      1.00000
     20     -17.7218      1.00000
     21     -17.4423      1.00000
     22     -17.4238      1.00000
     23     -17.3389      1.00000
     24     -16.4714      1.00000
     25     -16.4612      1.00000
     26     -15.9714      1.00000
     27     -15.4115      1.00000
     28     -15.4106      1.00000
     29     -15.0964      1.00000
     30     -15.0934      1.00000
     31     -14.8536      1.00000
     32     -14.8412      1.00000
     33     -14.2984      1.00000
     34     -14.2547      1.00000
     35     -13.4448      1.00000
     36     -13.4010      1.00000
     37     -13.1755      1.00000
     38     -13.1741      1.00000
     39     -12.9865      1.00000
     40     -12.9775      1.00000
     41     -12.6110      1.00000
     42     -12.6089      1.00000
     43     -12.1974      1.00000
     44     -11.5798      1.00000
     45     -11.5387      1.00000
     46     -11.3137      1.00000
     47     -11.2834      1.00000
     48     -11.1425      1.00000
     49     -10.6926      1.00000
     50     -10.6633      1.00000
     51     -10.5475      1.00000
     52     -10.3228      1.00000
     53     -10.3151      1.00000
     54     -10.1762      1.00000
     55     -10.1215      1.00000
     56     -10.1082      1.00000
     57      -9.8120      1.00000
     58      -9.7530      1.00000
     59      -9.7525      1.00000
     60      -9.7027      1.00000
     61      -9.6988      1.00000
     62      -9.6473      1.00000
     63      -9.3530      1.00000
     64      -9.3516      1.00000
     65      -9.3180      1.00000
     66      -9.0282      1.00000
     67      -8.9619      1.00000
     68      -8.9581      1.00000
     69      -8.7758      1.00000
     70      -8.5917      1.00000
     71      -8.5886      1.00000
     72      -8.4241      1.00000
     73      -8.3500      1.00000
     74      -8.3226      1.00000
     75      -8.3024      1.00000
     76      -8.2658      1.00000
     77      -8.2542      1.00000
     78      -8.2394      1.00000
     79      -7.9217      1.00000
     80      -7.7341      1.00000
     81      -7.3799      1.00000
     82      -7.3503      1.00000
     83      -7.3237      1.00000
     84      -7.2176      1.00000
     85      -7.1605      1.00000
     86      -7.0654      1.00000
     87      -6.9610      1.00000
     88      -6.9054      1.00000
     89      -6.6134      1.00000
     90      -6.5569      1.00000
     91      -6.2709      1.00000
     92      -5.9968      1.00000
     93      -5.9596      1.00000
     94      -5.6754      1.00000
     95      -5.6488      1.00000
     96      -5.3875      1.00000
     97      -5.3152      1.00000
     98      -5.2941      1.00000
     99      -5.2121      1.00000
    100      -5.2005      1.00000
    101      -4.5115      1.00000
    102      -4.3388      1.00000
    103      -3.9965      1.00000
    104      -3.8860      1.00000
    105      -3.7929      1.00000
    106      -3.4433      1.00000
    107      -2.0345      0.00000
    108      -1.8634      0.00000
    109      -1.2176      0.00000
    110      -1.1842      0.00000
    111      -1.0358      0.00000
    112      -0.7722      0.00000
    113      -0.6773      0.00000
    114      -0.6599      0.00000
    115      -0.6096      0.00000
    116      -0.1017      0.00000
    117       0.2226      0.00000
    118       0.2397      0.00000
    119       0.7699      0.00000
    120       0.9841      0.00000
    121       1.0739      0.00000
    122       1.2416      0.00000
    123       1.2511      0.00000
    124       1.3410      0.00000
    125       1.5786      0.00000
    126       1.5852      0.00000
    127       1.7028      0.00000
    128       1.7983      0.00000
    129       1.9468      0.00000
    130       1.9625      0.00000
    131       2.0843      0.00000
    132       2.2940      0.00000
    133       2.3422      0.00000
    134       2.4166      0.00000
    135       2.5442      0.00000
    136       2.6292      0.00000
    137       2.7660      0.00000
    138       2.8297      0.00000
    139       2.8437      0.00000
    140       2.8682      0.00000
    141       3.0483      0.00000
    142       3.1007      0.00000
    143       3.1532      0.00000
    144       3.2222      0.00000
    145       3.3748      0.00000
    146       3.4143      0.00000
    147       3.5053      0.00000
    148       3.5520      0.00000
    149       3.5907      0.00000
    150       3.6116      0.00000
    151       3.6488      0.00000
    152       3.7358      0.00000
    153       3.7453      0.00000
    154       3.7780      0.00000
    155       3.8165      0.00000
    156       3.8770      0.00000
    157       4.0215      0.00000
    158       4.0869      0.00000
    159       4.1697      0.00000
    160       4.2126      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0417   -7.3901    4.1982   -1.2758   -0.2386   17.5938    0.1473   -0.5324    0.6338   -0.4648
x    -3.0926   -0.0374   -0.0631    0.0616   -0.0091   -2.9773   -0.0109   -0.0070    0.0049    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0417    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0940   -0.0087    0.0374    0.0377
y    -0.0458   -3.2478   -0.5380   -0.1636   -1.1810   -0.6054
z   204.0417    1.1260   -0.2804    0.0408    0.0090    0.0616    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0777    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1654
z    -0.2831    0.1873   -0.0390    0.0470   -0.1050    0.0013
 total charge-density along one line
x   212.0000  -10.2204    6.1463   -2.0858   -0.4744   19.5111   -0.9959    0.4742   -0.0449   -0.1261
x    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2204    6.1463   -2.0858   -0.4744   19.5112   -0.9959    0.4742   -0.0449   -0.1261
y    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4925  189.2923 -170.3678  153.6507 -139.4373  125.4334 -110.1198   93.9731  -78.3592
z    64.1499  -51.4976   40.4325  -31.2272   24.1310  -18.9484   15.0350  -11.7219    8.7173   -6.1226
z     4.1323   -2.7605    1.8231   -1.1123    0.5408   -0.1279   -0.1105    0.2273   -0.3090    0.4000
z    -0.4767    0.4932   -0.4398    0.3547   -0.2860    0.2512   -0.2335    0.2088   -0.1709    0.1317
z    -0.1037    0.0880   -0.0768    0.0637   -0.0490    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0074    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.030   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.585  -0.238   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.368  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.263   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.261   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.649
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.781   0.000   2.640
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.783   0.000   2.647
 28        0.864   1.785   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.785   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.646
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.860   1.781   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.649
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.870  89.435   8.029 142.333
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  114.24: CPU time   57.63
    FORLOC:  VPU time    1.23: CPU time    1.23
    FORNL :  VPU time  440.57: CPU time  220.66
    STRESS:  VPU time 1326.62: CPU time  666.70
    FORCOR:  VPU time    8.75: CPU time    8.75
    FORHAR:  VPU time    2.31: CPU time    2.31
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force =-0.2090358E-08[-0.209E-08,-0.209E-08]  d Energy =-0.1437002E-08-0.653E-09
 d Force =-0.1247330E-03[-0.125E-03,-0.125E-03]  d Ewald  = 0.1107756E-02-0.123E-02


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726418 eV

  energy  without entropy=     -471.726418  energy(sigma->0) =     -471.726418
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40850.02  40804.52 -47548.84    -39.40      0.00      0.00
  Hartree  40274.04  40254.95 -39532.79    -16.53      0.00      0.00
  E(xc)     -779.46   -779.75   -807.39     -0.25      0.00      0.00
  Local   -83408.04 -83352.48  84396.36     48.11      0.00      0.00
  n-local   -216.85   -215.73   -203.41      0.70      0.00      0.00
  augment     20.05     22.04     17.81      1.73      0.00      0.00
  Kinetic   3162.58   3176.29   3584.10      3.52      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.00      0.05     -0.22      0.04      0.00      0.00
  in kB        0.00      0.03     -0.13      0.02      0.00      0.00
  external pressure =       -0.03 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345139544  0.000690003  0.000000000     0.081000926  0.046759938  0.000000000
    -6.171978854 10.691545538  0.000000000    -0.000005228  0.093528829  0.000000000
     0.000000000  0.000000000 19.986394776     0.000000000  0.000000000  0.050034036

  length of vectors
    12.345139563 12.345139488 19.986394776     0.093528829  0.093528829  0.050034036


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.477E-05 -.490E-04 -.951E+03   0.448E-05 -.278E-04 0.960E+03   0.255E-20 -.169E-20 -.869E+01   -.670E-10 0.578E-10 -.598E-04
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   -.152E-05 0.133E-06 -.332E-05
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   0.152E-05 -.133E-06 -.332E-05
   -.206E+01 0.119E+01 0.163E+02   0.206E+01 -.119E+01 -.162E+02   -.327E-02 0.189E-02 -.242E-01   0.691E-06 -.338E-05 0.455E-05
   0.616E+01 0.684E+01 0.194E+02   -.616E+01 -.686E+01 -.193E+02   0.844E-03 0.215E-01 -.272E-01   -.246E-05 0.526E-06 0.485E-05
   0.112E+02 0.510E+01 0.162E+02   -.112E+02 -.510E+01 -.161E+02   0.202E-01 0.844E-02 -.479E-01   -.306E-05 0.112E-05 0.720E-05
   0.471E+01 -.883E+00 0.126E+02   -.473E+01 0.892E+00 -.126E+02   0.146E-01 -.735E-02 -.175E-01   -.185E-05 -.252E-05 0.897E-05
   -.308E+01 -.252E+01 0.126E+02   0.308E+01 0.252E+01 -.126E+02   -.140E-02 0.273E-02 -.130E-01   0.805E-06 -.544E-05 0.627E-05
   0.645E+00 0.393E+01 0.126E+02   -.646E+00 -.393E+01 -.126E+02   -.307E-02 -.155E-03 -.130E-01   -.425E-06 -.416E-05 0.299E-05
   0.242E+01 0.189E+02 0.240E+02   -.242E+01 -.190E+02 -.240E+02   -.233E-02 0.103E+00 -.486E-01   -.168E-05 -.476E-05 0.300E-05
   0.226E+02 0.214E+02 0.423E+02   -.227E+02 -.216E+02 -.422E+02   0.771E-01 0.262E+00 -.607E-01   -.444E-05 -.281E-05 0.315E-05
   0.268E+02 -.343E+01 0.256E+02   -.271E+02 0.355E+01 -.256E+02   0.269E+00 -.109E+00 -.338E-01   -.786E-05 -.211E-05 0.598E-05
   0.914E+01 -.527E+01 0.136E+02   -.918E+01 0.530E+01 -.136E+02   0.422E-01 -.244E-01 -.121E-01   -.388E-05 -.418E-05 0.488E-05
   0.312E+01 -.364E+01 0.126E+02   -.314E+01 0.365E+01 -.126E+02   0.137E-01 -.899E-02 -.175E-01   -.986E-06 -.142E-05 0.139E-05
   -.593E+01 0.136E+02 0.161E+02   0.593E+01 -.137E+02 -.161E+02   -.114E-02 0.715E-01 -.520E-01   0.161E-05 -.177E-05 0.159E-05
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.315E-01 0.613E+00 0.294E+00   0.196E-05 -.410E-05 -.137E-05
   0.236E+02 -.136E+02 0.940E+02   -.243E+02 0.140E+02 -.961E+02   0.636E+00 -.367E+00 0.205E+01   -.409E-05 -.306E-06 -.374E-05
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.229E+00 -.178E+00 -.338E-01   -.438E-05 0.115E-06 0.161E-05
   0.119E+01 -.122E+02 0.162E+02   -.119E+01 0.123E+02 -.161E+02   0.280E-02 -.217E-01 -.479E-01   0.714E-06 0.953E-06 0.224E-05
   -.414E+01 0.192E+01 0.116E+02   0.414E+01 -.193E+01 -.116E+02   -.268E-03 0.997E-02 -.439E-01   0.223E-05 0.116E-05 0.269E-05
   -.193E+02 0.111E+02 0.217E+02   0.193E+02 -.112E+02 -.217E+02   -.506E-01 0.292E-01 -.433E-01   0.524E-05 0.736E-06 0.451E-05
   -.373E+02 -.785E+01 0.478E+02   0.378E+02 0.813E+01 -.481E+02   -.546E+00 -.279E+00 0.294E+00   0.784E-05 -.376E-06 0.143E-05
   -.718E+01 -.303E+02 0.423E+02   0.736E+01 0.305E+02 -.422E+02   -.188E+00 -.198E+00 -.607E-01   0.347E-05 0.717E-06 0.145E-05
   -.285E+01 -.876E+01 0.194E+02   0.286E+01 0.877E+01 -.193E+02   -.182E-01 -.115E-01 -.272E-01   0.153E-06 -.486E-07 0.418E-05
   0.139E+01 -.801E+00 0.134E+02   -.139E+01 0.803E+00 -.134E+02   0.124E-03 -.715E-04 -.179E-01   0.551E-06 0.182E-05 0.448E-05
   -.374E+01 0.263E+01 0.116E+02   0.374E+01 -.262E+01 -.116E+02   -.877E-02 -.475E-02 -.439E-01   0.198E-05 0.229E-05 0.698E-05
   -.148E+02 -.169E+01 0.161E+02   0.148E+02 0.172E+01 -.161E+02   -.625E-01 -.347E-01 -.520E-01   0.420E-05 -.202E-05 0.851E-05
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.905E-01 -.495E-01 -.486E-01   0.513E-05 -.148E-05 0.560E-05
   0.285E+01 0.876E+01 0.194E+02   -.286E+01 -.877E+01 -.193E+02   0.182E-01 0.115E-01 -.272E-01   -.153E-06 0.486E-07 0.418E-05
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.905E-01 0.495E-01 -.486E-01   -.513E-05 0.148E-05 0.560E-05
   0.148E+02 0.169E+01 0.161E+02   -.148E+02 -.172E+01 -.161E+02   0.625E-01 0.347E-01 -.520E-01   -.420E-05 0.202E-05 0.851E-05
   0.374E+01 -.262E+01 0.116E+02   -.374E+01 0.262E+01 -.116E+02   0.877E-02 0.475E-02 -.439E-01   -.198E-05 -.229E-05 0.698E-05
   -.139E+01 0.801E+00 0.134E+02   0.139E+01 -.803E+00 -.134E+02   -.124E-03 0.715E-04 -.179E-01   -.550E-06 -.182E-05 0.448E-05
   -.119E+01 0.122E+02 0.162E+02   0.119E+01 -.123E+02 -.161E+02   -.280E-02 0.217E-01 -.479E-01   -.714E-06 -.953E-06 0.224E-05
   0.718E+01 0.303E+02 0.423E+02   -.736E+01 -.305E+02 -.422E+02   0.188E+00 0.198E+00 -.607E-01   -.347E-05 -.717E-06 0.145E-05
   0.373E+02 0.785E+01 0.478E+02   -.378E+02 -.813E+01 -.481E+02   0.546E+00 0.279E+00 0.294E+00   -.784E-05 0.376E-06 0.143E-05
   0.193E+02 -.111E+02 0.217E+02   -.193E+02 0.112E+02 -.217E+02   0.506E-01 -.292E-01 -.433E-01   -.524E-05 -.736E-06 0.451E-05
   0.414E+01 -.192E+01 0.116E+02   -.414E+01 0.193E+01 -.116E+02   0.268E-03 -.997E-02 -.439E-01   -.223E-05 -.116E-05 0.269E-05
   -.312E+01 0.364E+01 0.126E+02   0.314E+01 -.365E+01 -.126E+02   -.137E-01 0.899E-02 -.175E-01   0.986E-06 0.142E-05 0.139E-05
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.229E+00 0.178E+00 -.338E-01   0.438E-05 -.115E-06 0.161E-05
   -.236E+02 0.136E+02 0.940E+02   0.243E+02 -.140E+02 -.961E+02   -.636E+00 0.367E+00 0.205E+01   0.409E-05 0.306E-06 -.374E-05
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.315E-01 -.613E+00 0.294E+00   -.196E-05 0.410E-05 -.137E-05
   0.593E+01 -.136E+02 0.161E+02   -.593E+01 0.137E+02 -.161E+02   0.114E-02 -.715E-01 -.520E-01   -.161E-05 0.177E-05 0.159E-05
   -.645E+00 -.393E+01 0.126E+02   0.646E+00 0.393E+01 -.126E+02   0.307E-02 0.155E-03 -.130E-01   0.425E-06 0.416E-05 0.299E-05
   -.914E+01 0.527E+01 0.136E+02   0.918E+01 -.530E+01 -.136E+02   -.422E-01 0.244E-01 -.121E-01   0.388E-05 0.418E-05 0.488E-05
   -.268E+02 0.343E+01 0.256E+02   0.271E+02 -.355E+01 -.256E+02   -.269E+00 0.109E+00 -.338E-01   0.786E-05 0.211E-05 0.598E-05
   -.226E+02 -.214E+02 0.423E+02   0.227E+02 0.216E+02 -.422E+02   -.771E-01 -.262E+00 -.607E-01   0.444E-05 0.281E-05 0.315E-05
   -.242E+01 -.189E+02 0.240E+02   0.242E+01 0.190E+02 -.240E+02   0.233E-02 -.103E+00 -.486E-01   0.168E-05 0.476E-05 0.300E-05
   0.206E+01 -.119E+01 0.163E+02   -.206E+01 0.119E+01 -.162E+02   0.327E-02 -.189E-02 -.242E-01   -.691E-06 0.338E-05 0.455E-05
   0.308E+01 0.252E+01 0.126E+02   -.308E+01 -.252E+01 -.126E+02   0.140E-02 -.273E-02 -.130E-01   -.804E-06 0.544E-05 0.627E-05
   -.471E+01 0.883E+00 0.126E+02   0.473E+01 -.892E+00 -.126E+02   -.146E-01 0.735E-02 -.175E-01   0.185E-05 0.252E-05 0.897E-05
   -.112E+02 -.510E+01 0.162E+02   0.112E+02 0.510E+01 -.161E+02   -.202E-01 -.844E-02 -.479E-01   0.306E-05 -.112E-05 0.720E-05
   -.616E+01 -.684E+01 0.194E+02   0.616E+01 0.686E+01 -.193E+02   -.844E-03 -.215E-01 -.272E-01   0.246E-05 -.526E-06 0.485E-05
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.289E-03 0.101E+02   0.329E-13 0.959E-13 0.284E-12   -.186E-15 -.267E-15 -.100E+02   -.150E-10 0.333E-10 0.120E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85211      6.05884     12.26471         0.000000      0.000000      0.019058
      1.07497      6.50752     13.52421         0.001551     -0.000895      0.008859
      2.62924      5.61016     13.52421        -0.001551      0.000895      0.008859
      0.00015     -0.00009      9.91082        -0.002290      0.001322      0.000103
     -1.23474      2.13683      9.90948        -0.000405      0.001548      0.000053
     -2.46994      4.27634      9.92946        -0.002698      0.002254     -0.000362
     -3.70363      6.41501      9.93717        -0.002031      0.001458     -0.000854
     -4.93735      8.55322      9.92774        -0.004140      0.002117     -0.000482
      2.46916     -0.00006      9.92774        -0.003903      0.002527     -0.000482
      1.23392      2.13662      9.91901        -0.003395      0.001396     -0.001213
     -0.00265      4.27071      9.93152        -0.003658      0.003436     -0.002355
     -1.23832      6.41562      9.95362        -0.000257      0.001292     -0.001110
     -2.46890      8.55357      9.93904        -0.001093      0.000631      0.000609
      4.93776      0.00062      9.93717        -0.002278      0.001030     -0.000854
      3.70409      2.13669      9.94047        -0.001510     -0.000558     -0.001268
      2.46985      4.26841      9.96807        -0.003476      0.000964     -0.002327
      1.22909      6.41854      9.97430        -0.004661      0.002691      0.001553
     -0.00209      8.55684      9.95362        -0.001248     -0.000423     -0.001110
      7.40675      0.00155      9.92946        -0.003301      0.001210     -0.000362
      6.17243      2.13877      9.93579        -0.002976      0.001749     -0.000531
      4.93890      4.27668      9.94852         0.000471     -0.000272     -0.000056
      3.71153      6.41908      9.96807        -0.002573      0.002529     -0.002327
      2.47330      8.55917      9.93152        -0.004804      0.001450     -0.002355
      9.87722      0.00159      9.90948        -0.001544     -0.000423      0.000053
      8.64160      2.13893      9.92067        -0.003155      0.001821      0.000301
      7.40715      4.27737      9.93579        -0.003003      0.001703     -0.000531
      6.17478      6.41605      9.94047        -0.000272      0.001587     -0.001268
      4.93975      8.55531      9.91901        -0.002907      0.002242     -0.001213
     -0.00103      1.42455      9.90948         0.001544      0.000423      0.000053
     -1.23554      3.56237      9.91901         0.002907     -0.002242     -0.001213
     -2.47057      5.70163      9.94047         0.000272     -0.001587     -0.001268
     -3.70294      7.84032      9.93579         0.003003     -0.001703     -0.000531
     -4.93739      9.97876      9.92067         0.003155     -0.001821      0.000301
      2.46945      1.42459      9.92946         0.003301     -0.001210     -0.000362
      1.23091      3.55851      9.93152         0.004804     -0.001450     -0.002355
     -0.00732      5.69860      9.96807         0.002573     -0.002529     -0.002327
     -1.23469      7.84100      9.94852        -0.000471      0.000272     -0.000056
     -2.46822      9.97891      9.93579         0.002976     -0.001749     -0.000531
      4.93843      1.42552      9.93717         0.002278     -0.001030     -0.000854
      3.70630      3.56084      9.95362         0.001248      0.000423     -0.001110
      2.47512      5.69914      9.97430         0.004661     -0.002691      0.001553
      1.23437      7.84927      9.96807         0.003476     -0.000964     -0.002327
      0.00012      9.98099      9.94047         0.001510      0.000558     -0.001268
      7.40703      1.42620      9.92774         0.003903     -0.002527     -0.000482
      6.17311      3.56411      9.93904         0.001093     -0.000631      0.000609
      4.94253      5.70206      9.95362         0.000257     -0.001292     -0.001110
      3.70686      7.84698      9.93152         0.003658     -0.003436     -0.002355
      2.47029      9.98106      9.91901         0.003395     -0.001396     -0.001213
      9.87604      1.42622      9.91082         0.002290     -0.001322      0.000103
      8.64156      3.56447      9.92774         0.004140     -0.002117     -0.000482
      7.40784      5.70267      9.93717         0.002031     -0.001458     -0.000854
      6.17415      7.84134      9.92946         0.002698     -0.002254     -0.000362
      4.93895      9.98086      9.90948         0.000405     -0.001548      0.000053
 -----------------------------------------------------------------------------------
    total drift:                               -0.001802      0.000289      0.015481


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.97: CPU time    1.98
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.36
    ORTHCH:  VPU time  189.10: CPU time   94.68
     LOOP+:  VPU time 4674.43: CPU time 2401.02


----------------------------------------- Iteration   36(   1)  ---------------------------------------


    POTLOK:  VPU time    9.23: CPU time    9.21
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1203.23: CPU time  619.94
 BZINTS: Fermi energy: -3.184954;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.22: CPU time   57.59
    MIXING:  VPU time    0.16: CPU time    0.17
    ------------------------------------------
      LOOP:  VPU time 1327.24: CPU time  687.27

 eigenvalue-minimisations  :  3224
 total energy-change (2. order) :-0.4717264E+03  ( 0.3059463E-08)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583398 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.16588E-05    rms(broyden)= 0.16588E-05
  rms(prec ) = 0.23767E-05
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34105.72092912
  -1/2 Hartree   DENC   =    -40996.20004878
  -V(xc)+E(xc)   XCENC  =       726.60484743
  PAW double counting   =      4094.27107140    -4132.61893071
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.94413964
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641758 eV

  energy without entropy =     -471.72641758  energy(sigma->0) =     -471.72641758


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   36(   2)  ---------------------------------------


    POTLOK:  VPU time    9.11: CPU time    9.11
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 1197.04: CPU time  617.57
 BZINTS: Fermi energy: -3.184822;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1206.54: CPU time  627.04

 eigenvalue-minimisations  :  3216
 total energy-change (2. order) :-0.1633452E-08  ( 0.3068710E-08)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583398 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34105.72092912
  -1/2 Hartree   DENC   =    -40996.19967103
  -V(xc)+E(xc)   XCENC  =       726.60484295
  PAW double counting   =      4094.27110416    -4132.61896399
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.94451239
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641758 eV

  energy without entropy =     -471.72641758  energy(sigma->0) =     -471.72641758


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2180       2 -39.5363       3 -39.5363       4 -58.3139       5 -58.3178
       6 -58.3203       7 -58.3149       8 -58.3152       9 -58.3152      10 -58.3217
      11 -58.3878      12 -58.3518      13 -58.3232      14 -58.3149      15 -58.3247
      16 -58.5428      17 -58.7298      18 -58.3518      19 -58.3203      20 -58.3200
      21 -58.3579      22 -58.5428      23 -58.3878      24 -58.3178      25 -58.3230
      26 -58.3200      27 -58.3247      28 -58.3217      29 -58.3177      30 -58.3216
      31 -58.3246      32 -58.3199      33 -58.3229      34 -58.3202      35 -58.3877
      36 -58.5427      37 -58.3578      38 -58.3199      39 -58.3148      40 -58.3516
      41 -58.7297      42 -58.5427      43 -58.3246      44 -58.3151      45 -58.3230
      46 -58.3517      47 -58.3878      48 -58.3216      49 -58.3138      50 -58.3151
      51 -58.3148      52 -58.3202      53 -58.3177
 
 
 
 E-fermi :  -3.1848     XC(G=0):  -2.3417     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4276      1.00000
      2     -21.6044      1.00000
      3     -21.4827      1.00000
      4     -21.4736      1.00000
      5     -21.4420      1.00000
      6     -21.4412      1.00000
      7     -21.4311      1.00000
      8     -19.7085      1.00000
      9     -19.6536      1.00000
     10     -19.6303      1.00000
     11     -19.6193      1.00000
     12     -19.6140      1.00000
     13     -19.6130      1.00000
     14     -18.7906      1.00000
     15     -18.7555      1.00000
     16     -18.7357      1.00000
     17     -18.7262      1.00000
     18     -18.7190      1.00000
     19     -18.7137      1.00000
     20     -16.6354      1.00000
     21     -16.6096      1.00000
     22     -16.5852      1.00000
     23     -16.5818      1.00000
     24     -16.5548      1.00000
     25     -16.5531      1.00000
     26     -15.6154      1.00000
     27     -15.6027      1.00000
     28     -15.5994      1.00000
     29     -15.5653      1.00000
     30     -15.5636      1.00000
     31     -15.5627      1.00000
     32     -14.2604      1.00000
     33     -14.2511      1.00000
     34     -14.2411      1.00000
     35     -14.2361      1.00000
     36     -14.2229      1.00000
     37     -14.2200      1.00000
     38     -11.9061      1.00000
     39     -11.8791      1.00000
     40     -11.8680      1.00000
     41     -11.8658      1.00000
     42     -11.8451      1.00000
     43     -11.8449      1.00000
     44     -11.7716      1.00000
     45     -11.7689      1.00000
     46     -11.7362      1.00000
     47     -11.7295      1.00000
     48     -11.7253      1.00000
     49     -11.7229      1.00000
     50     -10.6766      1.00000
     51     -10.3891      1.00000
     52     -10.3840      1.00000
     53     -10.3771      1.00000
     54     -10.3693      1.00000
     55     -10.3560      1.00000
     56     -10.3539      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4060      1.00000
     60      -9.3630      1.00000
     61      -9.3624      1.00000
     62      -9.3546      1.00000
     63      -9.1426      1.00000
     64      -9.1220      1.00000
     65      -9.1213      1.00000
     66      -9.0849      1.00000
     67      -9.0720      1.00000
     68      -9.0714      1.00000
     69      -9.0712      1.00000
     70      -9.0643      1.00000
     71      -9.0642      1.00000
     72      -9.0385      1.00000
     73      -9.0290      1.00000
     74      -9.0258      1.00000
     75      -8.1301      1.00000
     76      -7.7458      1.00000
     77      -7.4688      1.00000
     78      -7.4667      1.00000
     79      -7.4539      1.00000
     80      -7.4342      1.00000
     81      -7.4247      1.00000
     82      -7.4066      1.00000
     83      -7.3130      1.00000
     84      -7.2713      1.00000
     85      -7.2576      1.00000
     86      -7.2491      1.00000
     87      -7.1508      1.00000
     88      -7.0494      1.00000
     89      -6.4464      1.00000
     90      -6.4161      1.00000
     91      -6.4005      1.00000
     92      -6.3638      1.00000
     93      -6.3531      1.00000
     94      -6.3408      1.00000
     95      -5.9585      1.00000
     96      -5.9582      1.00000
     97      -4.8064      1.00000
     98      -4.5444      1.00000
     99      -4.4815      1.00000
    100      -4.4744      1.00000
    101      -4.3823      1.00000
    102      -4.3817      1.00000
    103      -4.2678      1.00000
    104      -4.1873      1.00000
    105      -3.7393      1.00000
    106      -3.4776      1.00000
    107      -1.8619      0.00000
    108      -1.6706      0.00000
    109      -1.6241      0.00000
    110      -1.5913      0.00000
    111      -1.5759      0.00000
    112      -1.5749      0.00000
    113      -0.4289      0.00000
    114       0.1458      0.00000
    115       0.1920      0.00000
    116       0.2556      0.00000
    117       0.2675      0.00000
    118       0.2714      0.00000
    119       0.4771      0.00000
    120       0.5481      0.00000
    121       1.2482      0.00000
    122       1.2900      0.00000
    123       1.5383      0.00000
    124       1.7715      0.00000
    125       1.7742      0.00000
    126       1.7748      0.00000
    127       1.7992      0.00000
    128       1.8298      0.00000
    129       1.9587      0.00000
    130       1.9691      0.00000
    131       1.9745      0.00000
    132       1.9893      0.00000
    133       1.9964      0.00000
    134       2.0791      0.00000
    135       2.2509      0.00000
    136       2.3466      0.00000
    137       2.6113      0.00000
    138       2.6130      0.00000
    139       2.6402      0.00000
    140       2.7149      0.00000
    141       2.9361      0.00000
    142       3.0475      0.00000
    143       3.0624      0.00000
    144       3.0988      0.00000
    145       3.1000      0.00000
    146       3.1068      0.00000
    147       3.1071      0.00000
    148       3.2792      0.00000
    149       3.4518      0.00000
    150       3.5094      0.00000
    151       3.8261      0.00000
    152       3.9605      0.00000
    153       3.9633      0.00000
    154       3.9664      0.00000
    155       3.9739      0.00000
    156       4.0001      0.00000
    157       4.1887      0.00000
    158       4.2626      0.00000
    159       4.2754      0.00000
    160       4.2840      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8318      1.00000
      3     -21.6395      1.00000
      4     -21.6116      1.00000
      5     -21.2759      1.00000
      6     -21.2365      1.00000
      7     -21.0581      1.00000
      8     -20.1688      1.00000
      9     -20.1305      1.00000
     10     -19.6096      1.00000
     11     -19.5986      1.00000
     12     -19.4182      1.00000
     13     -19.0906      1.00000
     14     -19.0609      1.00000
     15     -19.0498      1.00000
     16     -19.0424      1.00000
     17     -18.3615      1.00000
     18     -18.3531      1.00000
     19     -18.0198      1.00000
     20     -17.0698      1.00000
     21     -17.0311      1.00000
     22     -16.9445      1.00000
     23     -16.9406      1.00000
     24     -16.4685      1.00000
     25     -16.4638      1.00000
     26     -15.6149      1.00000
     27     -15.6081      1.00000
     28     -15.2533      1.00000
     29     -15.2442      1.00000
     30     -15.1854      1.00000
     31     -15.0986      1.00000
     32     -15.0717      1.00000
     33     -14.6992      1.00000
     34     -14.6972      1.00000
     35     -13.7270      1.00000
     36     -13.7245      1.00000
     37     -13.2362      1.00000
     38     -12.6146      1.00000
     39     -12.5844      1.00000
     40     -12.4549      1.00000
     41     -12.4512      1.00000
     42     -12.1097      1.00000
     43     -12.1051      1.00000
     44     -11.7179      1.00000
     45     -11.6870      1.00000
     46     -11.2355      1.00000
     47     -11.2262      1.00000
     48     -11.0182      1.00000
     49     -11.0102      1.00000
     50     -10.9272      1.00000
     51     -10.9058      1.00000
     52     -10.6317      1.00000
     53     -10.1554      1.00000
     54     -10.1513      1.00000
     55     -10.0921      1.00000
     56      -9.9990      1.00000
     57      -9.7033      1.00000
     58      -9.6953      1.00000
     59      -9.6565      1.00000
     60      -9.5922      1.00000
     61      -9.5771      1.00000
     62      -9.5591      1.00000
     63      -9.3074      1.00000
     64      -9.3036      1.00000
     65      -9.2746      1.00000
     66      -9.2370      1.00000
     67      -9.1373      1.00000
     68      -9.1154      1.00000
     69      -9.1117      1.00000
     70      -8.9402      1.00000
     71      -8.8725      1.00000
     72      -8.6046      1.00000
     73      -8.5910      1.00000
     74      -8.2368      1.00000
     75      -8.1006      1.00000
     76      -7.9135      1.00000
     77      -7.8641      1.00000
     78      -7.7719      1.00000
     79      -7.7570      1.00000
     80      -7.6923      1.00000
     81      -7.5607      1.00000
     82      -7.3390      1.00000
     83      -7.3229      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0125      1.00000
     88      -6.7047      1.00000
     89      -6.6784      1.00000
     90      -6.6413      1.00000
     91      -6.5979      1.00000
     92      -6.1159      1.00000
     93      -6.0624      1.00000
     94      -6.0313      1.00000
     95      -6.0116      1.00000
     96      -5.7835      1.00000
     97      -4.9745      1.00000
     98      -4.8322      1.00000
     99      -4.7471      1.00000
    100      -4.6795      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1720      1.00000
    104      -4.1280      1.00000
    105      -3.7296      1.00000
    106      -3.4878      1.00000
    107      -1.8704      0.00000
    108      -1.8089      0.00000
    109      -1.5244      0.00000
    110      -1.3776      0.00000
    111      -1.3214      0.00000
    112      -1.2880      0.00000
    113      -0.7199      0.00000
    114      -0.3760      0.00000
    115      -0.2499      0.00000
    116       0.0369      0.00000
    117       0.5560      0.00000
    118       0.6985      0.00000
    119       0.7464      0.00000
    120       1.0480      0.00000
    121       1.1000      0.00000
    122       1.1498      0.00000
    123       1.2274      0.00000
    124       1.3779      0.00000
    125       1.5242      0.00000
    126       1.5841      0.00000
    127       1.7155      0.00000
    128       1.8146      0.00000
    129       1.8579      0.00000
    130       1.8818      0.00000
    131       2.0966      0.00000
    132       2.1875      0.00000
    133       2.2418      0.00000
    134       2.3074      0.00000
    135       2.5147      0.00000
    136       2.5903      0.00000
    137       2.6418      0.00000
    138       2.7803      0.00000
    139       2.7976      0.00000
    140       2.8270      0.00000
    141       2.8604      0.00000
    142       2.9020      0.00000
    143       2.9435      0.00000
    144       3.0826      0.00000
    145       3.1548      0.00000
    146       3.3193      0.00000
    147       3.3846      0.00000
    148       3.4302      0.00000
    149       3.4701      0.00000
    150       3.6205      0.00000
    151       3.6476      0.00000
    152       3.6709      0.00000
    153       3.7157      0.00000
    154       3.9133      0.00000
    155       3.9620      0.00000
    156       4.0180      0.00000
    157       4.0685      0.00000
    158       4.2410      0.00000
    159       4.2536      0.00000
    160       4.2770      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2849      1.00000
      2     -22.0793      1.00000
      3     -21.7179      1.00000
      4     -21.6861      1.00000
      5     -20.9806      1.00000
      6     -20.9400      1.00000
      7     -20.6130      1.00000
      8     -20.5763      1.00000
      9     -20.5701      1.00000
     10     -20.0337      1.00000
     11     -19.5044      1.00000
     12     -19.4927      1.00000
     13     -19.3078      1.00000
     14     -19.3026      1.00000
     15     -18.4486      1.00000
     16     -18.4119      1.00000
     17     -17.9231      1.00000
     18     -17.9137      1.00000
     19     -17.7624      1.00000
     20     -17.7266      1.00000
     21     -17.4366      1.00000
     22     -17.4292      1.00000
     23     -17.3415      1.00000
     24     -16.4635      1.00000
     25     -16.4624      1.00000
     26     -15.9678      1.00000
     27     -15.4151      1.00000
     28     -15.4096      1.00000
     29     -15.0973      1.00000
     30     -15.0939      1.00000
     31     -14.8555      1.00000
     32     -14.8479      1.00000
     33     -14.2908      1.00000
     34     -14.2580      1.00000
     35     -13.4371      1.00000
     36     -13.4046      1.00000
     37     -13.1779      1.00000
     38     -13.1746      1.00000
     39     -12.9826      1.00000
     40     -12.9777      1.00000
     41     -12.6134      1.00000
     42     -12.6103      1.00000
     43     -12.1981      1.00000
     44     -11.5771      1.00000
     45     -11.5434      1.00000
     46     -11.3112      1.00000
     47     -11.2884      1.00000
     48     -11.1423      1.00000
     49     -10.6768      1.00000
     50     -10.6607      1.00000
     51     -10.5537      1.00000
     52     -10.3238      1.00000
     53     -10.3181      1.00000
     54     -10.1699      1.00000
     55     -10.1156      1.00000
     56     -10.1130      1.00000
     57      -9.7988      1.00000
     58      -9.7652      1.00000
     59      -9.7524      1.00000
     60      -9.7004      1.00000
     61      -9.6972      1.00000
     62      -9.6627      1.00000
     63      -9.3546      1.00000
     64      -9.3518      1.00000
     65      -9.3159      1.00000
     66      -9.0415      1.00000
     67      -8.9624      1.00000
     68      -8.9499      1.00000
     69      -8.8000      1.00000
     70      -8.5952      1.00000
     71      -8.5581      1.00000
     72      -8.3988      1.00000
     73      -8.3653      1.00000
     74      -8.3247      1.00000
     75      -8.3073      1.00000
     76      -8.2590      1.00000
     77      -8.2574      1.00000
     78      -8.2366      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3866      1.00000
     83      -7.3495      1.00000
     84      -7.2310      1.00000
     85      -7.0967      1.00000
     86      -7.0391      1.00000
     87      -6.9342      1.00000
     88      -6.8483      1.00000
     89      -6.6127      1.00000
     90      -6.5588      1.00000
     91      -6.2698      1.00000
     92      -6.0440      1.00000
     93      -5.9518      1.00000
     94      -5.6629      1.00000
     95      -5.6228      1.00000
     96      -5.4633      1.00000
     97      -5.3201      1.00000
     98      -5.2790      1.00000
     99      -5.2140      1.00000
    100      -5.1940      1.00000
    101      -4.5085      1.00000
    102      -4.2077      1.00000
    103      -4.0593      1.00000
    104      -3.9892      1.00000
    105      -3.6944      1.00000
    106      -3.4980      1.00000
    107      -1.9462      0.00000
    108      -1.8963      0.00000
    109      -1.3390      0.00000
    110      -1.0849      0.00000
    111      -1.0582      0.00000
    112      -0.8003      0.00000
    113      -0.6776      0.00000
    114      -0.6468      0.00000
    115      -0.6072      0.00000
    116      -0.1080      0.00000
    117       0.2155      0.00000
    118       0.3291      0.00000
    119       0.6944      0.00000
    120       0.8877      0.00000
    121       1.1273      0.00000
    122       1.1992      0.00000
    123       1.3265      0.00000
    124       1.4212      0.00000
    125       1.5545      0.00000
    126       1.5764      0.00000
    127       1.6804      0.00000
    128       1.8083      0.00000
    129       1.8843      0.00000
    130       2.0564      0.00000
    131       2.1242      0.00000
    132       2.3272      0.00000
    133       2.3593      0.00000
    134       2.3964      0.00000
    135       2.5474      0.00000
    136       2.6314      0.00000
    137       2.7301      0.00000
    138       2.7586      0.00000
    139       2.8280      0.00000
    140       2.8836      0.00000
    141       3.0491      0.00000
    142       3.0592      0.00000
    143       3.1649      0.00000
    144       3.2654      0.00000
    145       3.3616      0.00000
    146       3.4162      0.00000
    147       3.4344      0.00000
    148       3.5678      0.00000
    149       3.5855      0.00000
    150       3.6027      0.00000
    151       3.6605      0.00000
    152       3.6758      0.00000
    153       3.7817      0.00000
    154       3.8024      0.00000
    155       3.8087      0.00000
    156       3.8948      0.00000
    157       3.9230      0.00000
    158       3.9950      0.00000
    159       4.2159      0.00000
    160       4.2266      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.9642      1.00000
      3     -21.8950      1.00000
      4     -21.3822      1.00000
      5     -21.3530      1.00000
      6     -20.8409      1.00000
      7     -20.7756      1.00000
      8     -20.6253      1.00000
      9     -20.0788      1.00000
     10     -20.0731      1.00000
     11     -19.7179      1.00000
     12     -19.6934      1.00000
     13     -18.9975      1.00000
     14     -18.9916      1.00000
     15     -18.6416      1.00000
     16     -18.6257      1.00000
     17     -18.4630      1.00000
     18     -17.6761      1.00000
     19     -17.6257      1.00000
     20     -17.6228      1.00000
     21     -17.5810      1.00000
     22     -17.1273      1.00000
     23     -17.1058      1.00000
     24     -16.9627      1.00000
     25     -16.0023      1.00000
     26     -15.9305      1.00000
     27     -15.5865      1.00000
     28     -15.5862      1.00000
     29     -15.2876      1.00000
     30     -14.8648      1.00000
     31     -14.8375      1.00000
     32     -14.5795      1.00000
     33     -14.5376      1.00000
     34     -14.1694      1.00000
     35     -14.1558      1.00000
     36     -13.1485      1.00000
     37     -13.1013      1.00000
     38     -13.0302      1.00000
     39     -13.0200      1.00000
     40     -12.7095      1.00000
     41     -12.7053      1.00000
     42     -12.3423      1.00000
     43     -12.3110      1.00000
     44     -11.6365      1.00000
     45     -11.6229      1.00000
     46     -11.5727      1.00000
     47     -10.9501      1.00000
     48     -10.9170      1.00000
     49     -10.6329      1.00000
     50     -10.6248      1.00000
     51     -10.5479      1.00000
     52     -10.5002      1.00000
     53     -10.4999      1.00000
     54     -10.4399      1.00000
     55     -10.3607      1.00000
     56     -10.1001      1.00000
     57      -9.9042      1.00000
     58      -9.6088      1.00000
     59      -9.5565      1.00000
     60      -9.4530      1.00000
     61      -9.4126      1.00000
     62      -9.4057      1.00000
     63      -9.3776      1.00000
     64      -9.3772      1.00000
     65      -9.2880      1.00000
     66      -9.1691      1.00000
     67      -9.1435      1.00000
     68      -9.1152      1.00000
     69      -8.8652      1.00000
     70      -8.8576      1.00000
     71      -8.8157      1.00000
     72      -8.5975      1.00000
     73      -8.4805      1.00000
     74      -8.1991      1.00000
     75      -8.1637      1.00000
     76      -8.0093      1.00000
     77      -7.9640      1.00000
     78      -7.8507      1.00000
     79      -7.8406      1.00000
     80      -7.7044      1.00000
     81      -7.6971      1.00000
     82      -7.6224      1.00000
     83      -7.4491      1.00000
     84      -7.3009      1.00000
     85      -7.2533      1.00000
     86      -6.9065      1.00000
     87      -6.8928      1.00000
     88      -6.5890      1.00000
     89      -6.5515      1.00000
     90      -6.4062      1.00000
     91      -6.2537      1.00000
     92      -6.2330      1.00000
     93      -6.2056      1.00000
     94      -6.0232      1.00000
     95      -5.5502      1.00000
     96      -5.4891      1.00000
     97      -5.3505      1.00000
     98      -5.2198      1.00000
     99      -4.9795      1.00000
    100      -4.7327      1.00000
    101      -4.6781      1.00000
    102      -4.3875      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5464      1.00000
    106      -3.5100      1.00000
    107      -2.2563      0.00000
    108      -1.4566      0.00000
    109      -1.3713      0.00000
    110      -1.2418      0.00000
    111      -1.0979      0.00000
    112      -0.9450      0.00000
    113      -0.8637      0.00000
    114      -0.8033      0.00000
    115      -0.1393      0.00000
    116       0.1111      0.00000
    117       0.2407      0.00000
    118       0.3777      0.00000
    119       0.6519      0.00000
    120       0.8359      0.00000
    121       0.9366      0.00000
    122       1.0639      0.00000
    123       1.2336      0.00000
    124       1.4483      0.00000
    125       1.5515      0.00000
    126       1.7664      0.00000
    127       1.7936      0.00000
    128       1.8746      0.00000
    129       1.9704      0.00000
    130       2.0447      0.00000
    131       2.1770      0.00000
    132       2.1941      0.00000
    133       2.4112      0.00000
    134       2.4609      0.00000
    135       2.5303      0.00000
    136       2.6043      0.00000
    137       2.6379      0.00000
    138       2.6960      0.00000
    139       2.7807      0.00000
    140       2.8357      0.00000
    141       2.9502      0.00000
    142       3.0855      0.00000
    143       3.2025      0.00000
    144       3.2104      0.00000
    145       3.2587      0.00000
    146       3.3268      0.00000
    147       3.3341      0.00000
    148       3.4681      0.00000
    149       3.5007      0.00000
    150       3.6985      0.00000
    151       3.7115      0.00000
    152       3.7272      0.00000
    153       3.8583      0.00000
    154       3.9138      0.00000
    155       3.9488      0.00000
    156       3.9813      0.00000
    157       4.0161      0.00000
    158       4.0343      0.00000
    159       4.0515      0.00000
    160       4.0707      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2119      1.00000
      2     -22.1189      1.00000
      3     -21.9582      1.00000
      4     -21.4057      1.00000
      5     -21.0511      1.00000
      6     -21.0151      1.00000
      7     -20.5019      1.00000
      8     -20.4625      1.00000
      9     -20.2961      1.00000
     10     -20.2768      1.00000
     11     -19.9587      1.00000
     12     -19.8930      1.00000
     13     -18.8836      1.00000
     14     -18.8148      1.00000
     15     -18.3538      1.00000
     16     -18.3076      1.00000
     17     -18.1540      1.00000
     18     -18.1368      1.00000
     19     -17.8277      1.00000
     20     -17.7901      1.00000
     21     -17.2525      1.00000
     22     -17.2425      1.00000
     23     -17.1655      1.00000
     24     -17.1337      1.00000
     25     -16.1110      1.00000
     26     -15.8865      1.00000
     27     -15.8712      1.00000
     28     -15.8350      1.00000
     29     -15.2371      1.00000
     30     -14.5559      1.00000
     31     -14.5280      1.00000
     32     -14.2808      1.00000
     33     -13.9645      1.00000
     34     -13.9570      1.00000
     35     -13.8209      1.00000
     36     -13.8051      1.00000
     37     -13.6154      1.00000
     38     -13.5716      1.00000
     39     -13.3710      1.00000
     40     -12.6354      1.00000
     41     -12.1816      1.00000
     42     -12.1336      1.00000
     43     -12.0730      1.00000
     44     -12.0207      1.00000
     45     -11.6701      1.00000
     46     -11.6566      1.00000
     47     -11.1395      1.00000
     48     -11.1189      1.00000
     49     -10.7954      1.00000
     50     -10.7319      1.00000
     51     -10.5295      1.00000
     52     -10.2091      1.00000
     53     -10.2064      1.00000
     54     -10.1654      1.00000
     55     -10.0184      1.00000
     56     -10.0049      1.00000
     57      -9.9913      1.00000
     58      -9.8018      1.00000
     59      -9.7980      1.00000
     60      -9.7627      1.00000
     61      -9.7579      1.00000
     62      -9.4552      1.00000
     63      -9.4180      1.00000
     64      -9.0810      1.00000
     65      -9.0729      1.00000
     66      -9.0413      1.00000
     67      -8.9558      1.00000
     68      -8.8778      1.00000
     69      -8.7126      1.00000
     70      -8.7003      1.00000
     71      -8.5664      1.00000
     72      -8.5435      1.00000
     73      -8.4998      1.00000
     74      -8.4630      1.00000
     75      -8.4538      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0438      1.00000
     79      -7.9160      1.00000
     80      -7.8635      1.00000
     81      -7.6152      1.00000
     82      -7.5489      1.00000
     83      -7.4902      1.00000
     84      -7.2681      1.00000
     85      -6.9955      1.00000
     86      -6.9233      1.00000
     87      -6.8823      1.00000
     88      -6.5327      1.00000
     89      -6.4874      1.00000
     90      -6.4615      1.00000
     91      -6.4105      1.00000
     92      -5.9841      1.00000
     93      -5.8976      1.00000
     94      -5.7847      1.00000
     95      -5.7598      1.00000
     96      -5.4323      1.00000
     97      -5.3294      1.00000
     98      -5.2304      1.00000
     99      -5.2179      1.00000
    100      -5.1885      1.00000
    101      -4.6922      1.00000
    102      -4.4215      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5292      1.00000
    106      -3.2742      1.00000
    107      -2.5312      0.00000
    108      -1.4581      0.00000
    109      -1.2667      0.00000
    110      -1.2029      0.00000
    111      -1.1725      0.00000
    112      -0.7196      0.00000
    113      -0.5035      0.00000
    114      -0.4119      0.00000
    115      -0.3395      0.00000
    116      -0.1459      0.00000
    117      -0.0028      0.00000
    118       0.1939      0.00000
    119       0.5613      0.00000
    120       0.6125      0.00000
    121       0.7964      0.00000
    122       0.9071      0.00000
    123       1.1327      0.00000
    124       1.4942      0.00000
    125       1.6352      0.00000
    126       1.8548      0.00000
    127       1.9278      0.00000
    128       2.1063      0.00000
    129       2.1165      0.00000
    130       2.1523      0.00000
    131       2.1880      0.00000
    132       2.2799      0.00000
    133       2.3403      0.00000
    134       2.4687      0.00000
    135       2.5813      0.00000
    136       2.6587      0.00000
    137       2.8551      0.00000
    138       2.8717      0.00000
    139       2.8941      0.00000
    140       3.0213      0.00000
    141       3.0283      0.00000
    142       3.1410      0.00000
    143       3.1829      0.00000
    144       3.2355      0.00000
    145       3.2757      0.00000
    146       3.2848      0.00000
    147       3.3007      0.00000
    148       3.3471      0.00000
    149       3.4242      0.00000
    150       3.4454      0.00000
    151       3.5540      0.00000
    152       3.6240      0.00000
    153       3.7086      0.00000
    154       3.7326      0.00000
    155       3.7736      0.00000
    156       3.8950      0.00000
    157       3.9431      0.00000
    158       4.0070      0.00000
    159       4.1329      0.00000
    160       4.2254      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3187      1.00000
      2     -21.9657      1.00000
      3     -21.8935      1.00000
      4     -21.3859      1.00000
      5     -21.3495      1.00000
      6     -20.8407      1.00000
      7     -20.7743      1.00000
      8     -20.6262      1.00000
      9     -20.0907      1.00000
     10     -20.0619      1.00000
     11     -19.7195      1.00000
     12     -19.6907      1.00000
     13     -19.0108      1.00000
     14     -18.9797      1.00000
     15     -18.6507      1.00000
     16     -18.6180      1.00000
     17     -18.4616      1.00000
     18     -17.6613      1.00000
     19     -17.6476      1.00000
     20     -17.6114      1.00000
     21     -17.5789      1.00000
     22     -17.1380      1.00000
     23     -17.0981      1.00000
     24     -16.9664      1.00000
     25     -16.0087      1.00000
     26     -15.9239      1.00000
     27     -15.5998      1.00000
     28     -15.5762      1.00000
     29     -15.2804      1.00000
     30     -14.8775      1.00000
     31     -14.8304      1.00000
     32     -14.5753      1.00000
     33     -14.5375      1.00000
     34     -14.1644      1.00000
     35     -14.1603      1.00000
     36     -13.1627      1.00000
     37     -13.0969      1.00000
     38     -13.0238      1.00000
     39     -13.0190      1.00000
     40     -12.7185      1.00000
     41     -12.6952      1.00000
     42     -12.3414      1.00000
     43     -12.3142      1.00000
     44     -11.6318      1.00000
     45     -11.6227      1.00000
     46     -11.5707      1.00000
     47     -10.9412      1.00000
     48     -10.9234      1.00000
     49     -10.6695      1.00000
     50     -10.5902      1.00000
     51     -10.5736      1.00000
     52     -10.5011      1.00000
     53     -10.4897      1.00000
     54     -10.4394      1.00000
     55     -10.3568      1.00000
     56     -10.1045      1.00000
     57      -9.8985      1.00000
     58      -9.6092      1.00000
     59      -9.5520      1.00000
     60      -9.4548      1.00000
     61      -9.4181      1.00000
     62      -9.4099      1.00000
     63      -9.3799      1.00000
     64      -9.3728      1.00000
     65      -9.2681      1.00000
     66      -9.1653      1.00000
     67      -9.1413      1.00000
     68      -9.1159      1.00000
     69      -8.8663      1.00000
     70      -8.8603      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1933      1.00000
     75      -8.1706      1.00000
     76      -8.0762      1.00000
     77      -7.8580      1.00000
     78      -7.8372      1.00000
     79      -7.8242      1.00000
     80      -7.7106      1.00000
     81      -7.6962      1.00000
     82      -7.5978      1.00000
     83      -7.5301      1.00000
     84      -7.3507      1.00000
     85      -7.1680      1.00000
     86      -6.9052      1.00000
     87      -6.8959      1.00000
     88      -6.5928      1.00000
     89      -6.5516      1.00000
     90      -6.4062      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2010      1.00000
     94      -6.0042      1.00000
     95      -5.5320      1.00000
     96      -5.4654      1.00000
     97      -5.3143      1.00000
     98      -5.2097      1.00000
     99      -5.0470      1.00000
    100      -4.7236      1.00000
    101      -4.6717      1.00000
    102      -4.4239      1.00000
    103      -4.1948      1.00000
    104      -3.8428      1.00000
    105      -3.6345      1.00000
    106      -3.4163      1.00000
    107      -2.2925      0.00000
    108      -1.5094      0.00000
    109      -1.2700      0.00000
    110      -1.2623      0.00000
    111      -1.0343      0.00000
    112      -0.9778      0.00000
    113      -0.8681      0.00000
    114      -0.7998      0.00000
    115      -0.2616      0.00000
    116       0.2044      0.00000
    117       0.2395      0.00000
    118       0.3600      0.00000
    119       0.6910      0.00000
    120       0.8942      0.00000
    121       0.9239      0.00000
    122       1.0406      0.00000
    123       1.1671      0.00000
    124       1.5100      0.00000
    125       1.5603      0.00000
    126       1.7114      0.00000
    127       1.7789      0.00000
    128       1.8341      0.00000
    129       1.9636      0.00000
    130       1.9858      0.00000
    131       2.1847      0.00000
    132       2.2630      0.00000
    133       2.4163      0.00000
    134       2.4670      0.00000
    135       2.5281      0.00000
    136       2.6008      0.00000
    137       2.6188      0.00000
    138       2.6995      0.00000
    139       2.7603      0.00000
    140       2.8648      0.00000
    141       3.0366      0.00000
    142       3.0836      0.00000
    143       3.1902      0.00000
    144       3.2471      0.00000
    145       3.2605      0.00000
    146       3.2992      0.00000
    147       3.3592      0.00000
    148       3.4532      0.00000
    149       3.5214      0.00000
    150       3.6922      0.00000
    151       3.7174      0.00000
    152       3.7486      0.00000
    153       3.8314      0.00000
    154       3.8921      0.00000
    155       3.9349      0.00000
    156       3.9801      0.00000
    157       4.0098      0.00000
    158       4.0425      0.00000
    159       4.0489      0.00000
    160       4.0849      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8321      1.00000
      3     -21.6427      1.00000
      4     -21.6077      1.00000
      5     -21.2800      1.00000
      6     -21.2330      1.00000
      7     -21.0577      1.00000
      8     -20.1726      1.00000
      9     -20.1264      1.00000
     10     -19.6179      1.00000
     11     -19.5917      1.00000
     12     -19.4167      1.00000
     13     -19.0956      1.00000
     14     -19.0569      1.00000
     15     -19.0525      1.00000
     16     -19.0397      1.00000
     17     -18.3676      1.00000
     18     -18.3479      1.00000
     19     -18.0175      1.00000
     20     -17.0731      1.00000
     21     -17.0243      1.00000
     22     -16.9503      1.00000
     23     -16.9365      1.00000
     24     -16.4753      1.00000
     25     -16.4634      1.00000
     26     -15.6101      1.00000
     27     -15.6096      1.00000
     28     -15.2505      1.00000
     29     -15.2384      1.00000
     30     -15.1923      1.00000
     31     -15.1022      1.00000
     32     -15.0692      1.00000
     33     -14.6988      1.00000
     34     -14.6979      1.00000
     35     -13.7254      1.00000
     36     -13.7253      1.00000
     37     -13.2359      1.00000
     38     -12.6247      1.00000
     39     -12.5806      1.00000
     40     -12.4555      1.00000
     41     -12.4501      1.00000
     42     -12.1053      1.00000
     43     -12.1004      1.00000
     44     -11.7219      1.00000
     45     -11.6833      1.00000
     46     -11.2456      1.00000
     47     -11.2250      1.00000
     48     -11.0182      1.00000
     49     -11.0065      1.00000
     50     -10.9281      1.00000
     51     -10.8994      1.00000
     52     -10.6377      1.00000
     53     -10.1729      1.00000
     54     -10.1500      1.00000
     55     -10.0852      1.00000
     56      -9.9927      1.00000
     57      -9.6966      1.00000
     58      -9.6901      1.00000
     59      -9.6710      1.00000
     60      -9.5915      1.00000
     61      -9.5675      1.00000
     62      -9.5543      1.00000
     63      -9.3132      1.00000
     64      -9.3006      1.00000
     65      -9.2837      1.00000
     66      -9.2431      1.00000
     67      -9.1227      1.00000
     68      -9.1130      1.00000
     69      -9.1113      1.00000
     70      -8.9401      1.00000
     71      -8.8753      1.00000
     72      -8.6049      1.00000
     73      -8.5862      1.00000
     74      -8.2712      1.00000
     75      -8.1016      1.00000
     76      -7.8676      1.00000
     77      -7.8440      1.00000
     78      -7.7908      1.00000
     79      -7.7650      1.00000
     80      -7.7560      1.00000
     81      -7.4473      1.00000
     82      -7.3350      1.00000
     83      -7.3235      1.00000
     84      -7.2664      1.00000
     85      -7.1628      1.00000
     86      -7.0148      1.00000
     87      -6.9867      1.00000
     88      -6.7179      1.00000
     89      -6.6908      1.00000
     90      -6.6319      1.00000
     91      -6.5908      1.00000
     92      -6.1179      1.00000
     93      -6.0590      1.00000
     94      -6.0448      1.00000
     95      -6.0286      1.00000
     96      -5.7481      1.00000
     97      -4.9748      1.00000
     98      -4.8397      1.00000
     99      -4.7091      1.00000
    100      -4.6735      1.00000
    101      -4.4837      1.00000
    102      -4.3523      1.00000
    103      -4.1119      1.00000
    104      -4.0556      1.00000
    105      -3.7550      1.00000
    106      -3.4654      1.00000
    107      -1.9506      0.00000
    108      -1.7711      0.00000
    109      -1.4798      0.00000
    110      -1.3555      0.00000
    111      -1.3359      0.00000
    112      -1.2926      0.00000
    113      -0.6785      0.00000
    114      -0.4719      0.00000
    115      -0.2355      0.00000
    116       0.0516      0.00000
    117       0.5877      0.00000
    118       0.6924      0.00000
    119       0.7701      0.00000
    120       1.0228      0.00000
    121       1.0970      0.00000
    122       1.1768      0.00000
    123       1.2501      0.00000
    124       1.3349      0.00000
    125       1.4338      0.00000
    126       1.6005      0.00000
    127       1.7638      0.00000
    128       1.8429      0.00000
    129       1.8601      0.00000
    130       1.8877      0.00000
    131       2.0456      0.00000
    132       2.2178      0.00000
    133       2.2332      0.00000
    134       2.2870      0.00000
    135       2.4809      0.00000
    136       2.6199      0.00000
    137       2.6429      0.00000
    138       2.7538      0.00000
    139       2.7971      0.00000
    140       2.8363      0.00000
    141       2.8483      0.00000
    142       2.8719      0.00000
    143       2.9478      0.00000
    144       3.0867      0.00000
    145       3.3161      0.00000
    146       3.3556      0.00000
    147       3.4074      0.00000
    148       3.4202      0.00000
    149       3.4258      0.00000
    150       3.6049      0.00000
    151       3.6516      0.00000
    152       3.6788      0.00000
    153       3.7321      0.00000
    154       3.8967      0.00000
    155       3.9260      0.00000
    156       3.9574      0.00000
    157       4.1079      0.00000
    158       4.2072      0.00000
    159       4.2591      0.00000
    160       4.2849      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2110      1.00000
      2     -22.1202      1.00000
      3     -21.9579      1.00000
      4     -21.4058      1.00000
      5     -21.0472      1.00000
      6     -21.0189      1.00000
      7     -20.4971      1.00000
      8     -20.4672      1.00000
      9     -20.2873      1.00000
     10     -20.2853      1.00000
     11     -19.9576      1.00000
     12     -19.8945      1.00000
     13     -18.8842      1.00000
     14     -18.8166      1.00000
     15     -18.3386      1.00000
     16     -18.3195      1.00000
     17     -18.1499      1.00000
     18     -18.1424      1.00000
     19     -17.8166      1.00000
     20     -17.7985      1.00000
     21     -17.2587      1.00000
     22     -17.2391      1.00000
     23     -17.1608      1.00000
     24     -17.1360      1.00000
     25     -16.1175      1.00000
     26     -15.8812      1.00000
     27     -15.8701      1.00000
     28     -15.8409      1.00000
     29     -15.2314      1.00000
     30     -14.5513      1.00000
     31     -14.5330      1.00000
     32     -14.2761      1.00000
     33     -13.9756      1.00000
     34     -13.9519      1.00000
     35     -13.8253      1.00000
     36     -13.8030      1.00000
     37     -13.6044      1.00000
     38     -13.5792      1.00000
     39     -13.3712      1.00000
     40     -12.6396      1.00000
     41     -12.1691      1.00000
     42     -12.1428      1.00000
     43     -12.0685      1.00000
     44     -12.0217      1.00000
     45     -11.6655      1.00000
     46     -11.6608      1.00000
     47     -11.1369      1.00000
     48     -11.1258      1.00000
     49     -10.7906      1.00000
     50     -10.7344      1.00000
     51     -10.5361      1.00000
     52     -10.2090      1.00000
     53     -10.2028      1.00000
     54     -10.1711      1.00000
     55     -10.0233      1.00000
     56      -9.9948      1.00000
     57      -9.9907      1.00000
     58      -9.8055      1.00000
     59      -9.7965      1.00000
     60      -9.7649      1.00000
     61      -9.7569      1.00000
     62      -9.4545      1.00000
     63      -9.4179      1.00000
     64      -9.0852      1.00000
     65      -9.0463      1.00000
     66      -9.0260      1.00000
     67      -8.9698      1.00000
     68      -8.8982      1.00000
     69      -8.7086      1.00000
     70      -8.6994      1.00000
     71      -8.5600      1.00000
     72      -8.5493      1.00000
     73      -8.4782      1.00000
     74      -8.4599      1.00000
     75      -8.4571      1.00000
     76      -8.3087      1.00000
     77      -8.0955      1.00000
     78      -8.0896      1.00000
     79      -7.9269      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5369      1.00000
     83      -7.4437      1.00000
     84      -7.3142      1.00000
     85      -6.9942      1.00000
     86      -6.9195      1.00000
     87      -6.8825      1.00000
     88      -6.5277      1.00000
     89      -6.5149      1.00000
     90      -6.4809      1.00000
     91      -6.4208      1.00000
     92      -5.9273      1.00000
     93      -5.9054      1.00000
     94      -5.7890      1.00000
     95      -5.7751      1.00000
     96      -5.3695      1.00000
     97      -5.3633      1.00000
     98      -5.2205      1.00000
     99      -5.2155      1.00000
    100      -5.1989      1.00000
    101      -4.7204      1.00000
    102      -4.4424      1.00000
    103      -4.1909      1.00000
    104      -3.8204      1.00000
    105      -3.5655      1.00000
    106      -3.2215      1.00000
    107      -2.5626      0.00000
    108      -1.4632      0.00000
    109      -1.2673      0.00000
    110      -1.1852      0.00000
    111      -1.1837      0.00000
    112      -0.6447      0.00000
    113      -0.5514      0.00000
    114      -0.4147      0.00000
    115      -0.3474      0.00000
    116      -0.0776      0.00000
    117      -0.0633      0.00000
    118       0.1259      0.00000
    119       0.5931      0.00000
    120       0.6265      0.00000
    121       0.8553      0.00000
    122       0.9859      0.00000
    123       1.0035      0.00000
    124       1.4944      0.00000
    125       1.6841      0.00000
    126       1.7668      0.00000
    127       1.8621      0.00000
    128       2.1149      0.00000
    129       2.1470      0.00000
    130       2.1896      0.00000
    131       2.2103      0.00000
    132       2.2567      0.00000
    133       2.3547      0.00000
    134       2.4944      0.00000
    135       2.5115      0.00000
    136       2.6664      0.00000
    137       2.8526      0.00000
    138       2.8595      0.00000
    139       2.9546      0.00000
    140       3.0091      0.00000
    141       3.0425      0.00000
    142       3.1358      0.00000
    143       3.1953      0.00000
    144       3.2457      0.00000
    145       3.2544      0.00000
    146       3.2810      0.00000
    147       3.3035      0.00000
    148       3.3548      0.00000
    149       3.4204      0.00000
    150       3.5506      0.00000
    151       3.5662      0.00000
    152       3.6478      0.00000
    153       3.6641      0.00000
    154       3.7044      0.00000
    155       3.7300      0.00000
    156       3.8973      0.00000
    157       3.9631      0.00000
    158       4.0390      0.00000
    159       4.0775      0.00000
    160       4.1864      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2845      1.00000
      2     -22.0799      1.00000
      3     -21.7215      1.00000
      4     -21.6823      1.00000
      5     -20.9840      1.00000
      6     -20.9362      1.00000
      7     -20.6125      1.00000
      8     -20.5803      1.00000
      9     -20.5667      1.00000
     10     -20.0333      1.00000
     11     -19.5143      1.00000
     12     -19.4842      1.00000
     13     -19.3123      1.00000
     14     -19.2993      1.00000
     15     -18.4506      1.00000
     16     -18.4074      1.00000
     17     -17.9283      1.00000
     18     -17.9079      1.00000
     19     -17.7668      1.00000
     20     -17.7218      1.00000
     21     -17.4423      1.00000
     22     -17.4238      1.00000
     23     -17.3389      1.00000
     24     -16.4714      1.00000
     25     -16.4612      1.00000
     26     -15.9714      1.00000
     27     -15.4115      1.00000
     28     -15.4106      1.00000
     29     -15.0964      1.00000
     30     -15.0934      1.00000
     31     -14.8536      1.00000
     32     -14.8412      1.00000
     33     -14.2985      1.00000
     34     -14.2547      1.00000
     35     -13.4448      1.00000
     36     -13.4010      1.00000
     37     -13.1755      1.00000
     38     -13.1741      1.00000
     39     -12.9865      1.00000
     40     -12.9775      1.00000
     41     -12.6110      1.00000
     42     -12.6089      1.00000
     43     -12.1974      1.00000
     44     -11.5798      1.00000
     45     -11.5387      1.00000
     46     -11.3137      1.00000
     47     -11.2834      1.00000
     48     -11.1425      1.00000
     49     -10.6926      1.00000
     50     -10.6633      1.00000
     51     -10.5475      1.00000
     52     -10.3228      1.00000
     53     -10.3151      1.00000
     54     -10.1762      1.00000
     55     -10.1215      1.00000
     56     -10.1082      1.00000
     57      -9.8120      1.00000
     58      -9.7530      1.00000
     59      -9.7525      1.00000
     60      -9.7027      1.00000
     61      -9.6988      1.00000
     62      -9.6473      1.00000
     63      -9.3530      1.00000
     64      -9.3516      1.00000
     65      -9.3180      1.00000
     66      -9.0282      1.00000
     67      -8.9619      1.00000
     68      -8.9581      1.00000
     69      -8.7758      1.00000
     70      -8.5917      1.00000
     71      -8.5886      1.00000
     72      -8.4241      1.00000
     73      -8.3500      1.00000
     74      -8.3226      1.00000
     75      -8.3024      1.00000
     76      -8.2658      1.00000
     77      -8.2542      1.00000
     78      -8.2394      1.00000
     79      -7.9217      1.00000
     80      -7.7341      1.00000
     81      -7.3799      1.00000
     82      -7.3503      1.00000
     83      -7.3237      1.00000
     84      -7.2176      1.00000
     85      -7.1605      1.00000
     86      -7.0654      1.00000
     87      -6.9610      1.00000
     88      -6.9054      1.00000
     89      -6.6134      1.00000
     90      -6.5569      1.00000
     91      -6.2710      1.00000
     92      -5.9968      1.00000
     93      -5.9596      1.00000
     94      -5.6754      1.00000
     95      -5.6488      1.00000
     96      -5.3875      1.00000
     97      -5.3152      1.00000
     98      -5.2941      1.00000
     99      -5.2121      1.00000
    100      -5.2005      1.00000
    101      -4.5115      1.00000
    102      -4.3388      1.00000
    103      -3.9965      1.00000
    104      -3.8860      1.00000
    105      -3.7929      1.00000
    106      -3.4433      1.00000
    107      -2.0345      0.00000
    108      -1.8634      0.00000
    109      -1.2176      0.00000
    110      -1.1842      0.00000
    111      -1.0358      0.00000
    112      -0.7722      0.00000
    113      -0.6773      0.00000
    114      -0.6599      0.00000
    115      -0.6096      0.00000
    116      -0.1017      0.00000
    117       0.2226      0.00000
    118       0.2397      0.00000
    119       0.7699      0.00000
    120       0.9841      0.00000
    121       1.0739      0.00000
    122       1.2416      0.00000
    123       1.2511      0.00000
    124       1.3410      0.00000
    125       1.5787      0.00000
    126       1.5852      0.00000
    127       1.7029      0.00000
    128       1.7986      0.00000
    129       1.9468      0.00000
    130       1.9626      0.00000
    131       2.0854      0.00000
    132       2.2948      0.00000
    133       2.3424      0.00000
    134       2.4166      0.00000
    135       2.5444      0.00000
    136       2.6294      0.00000
    137       2.7671      0.00000
    138       2.8309      0.00000
    139       2.8437      0.00000
    140       2.8688      0.00000
    141       3.0492      0.00000
    142       3.1008      0.00000
    143       3.1533      0.00000
    144       3.2226      0.00000
    145       3.3750      0.00000
    146       3.4145      0.00000
    147       3.5057      0.00000
    148       3.5527      0.00000
    149       3.5908      0.00000
    150       3.6121      0.00000
    151       3.6492      0.00000
    152       3.7359      0.00000
    153       3.7455      0.00000
    154       3.7788      0.00000
    155       3.8177      0.00000
    156       3.8775      0.00000
    157       4.0219      0.00000
    158       4.0870      0.00000
    159       4.1699      0.00000
    160       4.2129      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4276      1.00000
      2     -21.6044      1.00000
      3     -21.4827      1.00000
      4     -21.4736      1.00000
      5     -21.4420      1.00000
      6     -21.4412      1.00000
      7     -21.4311      1.00000
      8     -19.7085      1.00000
      9     -19.6536      1.00000
     10     -19.6303      1.00000
     11     -19.6193      1.00000
     12     -19.6140      1.00000
     13     -19.6130      1.00000
     14     -18.7906      1.00000
     15     -18.7555      1.00000
     16     -18.7357      1.00000
     17     -18.7262      1.00000
     18     -18.7190      1.00000
     19     -18.7137      1.00000
     20     -16.6354      1.00000
     21     -16.6096      1.00000
     22     -16.5852      1.00000
     23     -16.5818      1.00000
     24     -16.5548      1.00000
     25     -16.5531      1.00000
     26     -15.6154      1.00000
     27     -15.6027      1.00000
     28     -15.5994      1.00000
     29     -15.5653      1.00000
     30     -15.5636      1.00000
     31     -15.5627      1.00000
     32     -14.2604      1.00000
     33     -14.2511      1.00000
     34     -14.2411      1.00000
     35     -14.2361      1.00000
     36     -14.2229      1.00000
     37     -14.2200      1.00000
     38     -11.9061      1.00000
     39     -11.8791      1.00000
     40     -11.8680      1.00000
     41     -11.8658      1.00000
     42     -11.8451      1.00000
     43     -11.8449      1.00000
     44     -11.7716      1.00000
     45     -11.7689      1.00000
     46     -11.7362      1.00000
     47     -11.7295      1.00000
     48     -11.7253      1.00000
     49     -11.7229      1.00000
     50     -10.6766      1.00000
     51     -10.3891      1.00000
     52     -10.3840      1.00000
     53     -10.3771      1.00000
     54     -10.3693      1.00000
     55     -10.3560      1.00000
     56     -10.3539      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4060      1.00000
     60      -9.3630      1.00000
     61      -9.3624      1.00000
     62      -9.3546      1.00000
     63      -9.1426      1.00000
     64      -9.1220      1.00000
     65      -9.1213      1.00000
     66      -9.0849      1.00000
     67      -9.0720      1.00000
     68      -9.0714      1.00000
     69      -9.0712      1.00000
     70      -9.0643      1.00000
     71      -9.0642      1.00000
     72      -9.0385      1.00000
     73      -9.0290      1.00000
     74      -9.0258      1.00000
     75      -8.1301      1.00000
     76      -7.7458      1.00000
     77      -7.4688      1.00000
     78      -7.4667      1.00000
     79      -7.4539      1.00000
     80      -7.4342      1.00000
     81      -7.4247      1.00000
     82      -7.4066      1.00000
     83      -7.3130      1.00000
     84      -7.2713      1.00000
     85      -7.2576      1.00000
     86      -7.2491      1.00000
     87      -7.1508      1.00000
     88      -7.0494      1.00000
     89      -6.4464      1.00000
     90      -6.4161      1.00000
     91      -6.4005      1.00000
     92      -6.3638      1.00000
     93      -6.3531      1.00000
     94      -6.3408      1.00000
     95      -5.9585      1.00000
     96      -5.9582      1.00000
     97      -4.8064      1.00000
     98      -4.5444      1.00000
     99      -4.4815      1.00000
    100      -4.4744      1.00000
    101      -4.3823      1.00000
    102      -4.3817      1.00000
    103      -4.2678      1.00000
    104      -4.1873      1.00000
    105      -3.7393      1.00000
    106      -3.4776      1.00000
    107      -1.8619      0.00000
    108      -1.6706      0.00000
    109      -1.6241      0.00000
    110      -1.5913      0.00000
    111      -1.5759      0.00000
    112      -1.5749      0.00000
    113      -0.4289      0.00000
    114       0.1458      0.00000
    115       0.1920      0.00000
    116       0.2556      0.00000
    117       0.2675      0.00000
    118       0.2714      0.00000
    119       0.4771      0.00000
    120       0.5481      0.00000
    121       1.2482      0.00000
    122       1.2900      0.00000
    123       1.5383      0.00000
    124       1.7715      0.00000
    125       1.7742      0.00000
    126       1.7748      0.00000
    127       1.7992      0.00000
    128       1.8298      0.00000
    129       1.9587      0.00000
    130       1.9691      0.00000
    131       1.9745      0.00000
    132       1.9893      0.00000
    133       1.9964      0.00000
    134       2.0791      0.00000
    135       2.2509      0.00000
    136       2.3466      0.00000
    137       2.6114      0.00000
    138       2.6130      0.00000
    139       2.6402      0.00000
    140       2.7150      0.00000
    141       2.9361      0.00000
    142       3.0475      0.00000
    143       3.0624      0.00000
    144       3.0988      0.00000
    145       3.1000      0.00000
    146       3.1068      0.00000
    147       3.1071      0.00000
    148       3.2792      0.00000
    149       3.4517      0.00000
    150       3.5094      0.00000
    151       3.8261      0.00000
    152       3.9605      0.00000
    153       3.9633      0.00000
    154       3.9664      0.00000
    155       3.9739      0.00000
    156       4.0001      0.00000
    157       4.1887      0.00000
    158       4.2626      0.00000
    159       4.2754      0.00000
    160       4.2840      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8318      1.00000
      3     -21.6395      1.00000
      4     -21.6116      1.00000
      5     -21.2759      1.00000
      6     -21.2365      1.00000
      7     -21.0581      1.00000
      8     -20.1688      1.00000
      9     -20.1305      1.00000
     10     -19.6096      1.00000
     11     -19.5986      1.00000
     12     -19.4182      1.00000
     13     -19.0906      1.00000
     14     -19.0609      1.00000
     15     -19.0498      1.00000
     16     -19.0424      1.00000
     17     -18.3615      1.00000
     18     -18.3531      1.00000
     19     -18.0198      1.00000
     20     -17.0698      1.00000
     21     -17.0311      1.00000
     22     -16.9445      1.00000
     23     -16.9406      1.00000
     24     -16.4685      1.00000
     25     -16.4638      1.00000
     26     -15.6149      1.00000
     27     -15.6081      1.00000
     28     -15.2533      1.00000
     29     -15.2442      1.00000
     30     -15.1854      1.00000
     31     -15.0986      1.00000
     32     -15.0717      1.00000
     33     -14.6992      1.00000
     34     -14.6972      1.00000
     35     -13.7270      1.00000
     36     -13.7245      1.00000
     37     -13.2362      1.00000
     38     -12.6146      1.00000
     39     -12.5844      1.00000
     40     -12.4549      1.00000
     41     -12.4512      1.00000
     42     -12.1097      1.00000
     43     -12.1051      1.00000
     44     -11.7179      1.00000
     45     -11.6870      1.00000
     46     -11.2355      1.00000
     47     -11.2262      1.00000
     48     -11.0182      1.00000
     49     -11.0102      1.00000
     50     -10.9272      1.00000
     51     -10.9058      1.00000
     52     -10.6317      1.00000
     53     -10.1554      1.00000
     54     -10.1513      1.00000
     55     -10.0921      1.00000
     56      -9.9990      1.00000
     57      -9.7033      1.00000
     58      -9.6953      1.00000
     59      -9.6565      1.00000
     60      -9.5922      1.00000
     61      -9.5771      1.00000
     62      -9.5591      1.00000
     63      -9.3074      1.00000
     64      -9.3036      1.00000
     65      -9.2746      1.00000
     66      -9.2370      1.00000
     67      -9.1373      1.00000
     68      -9.1154      1.00000
     69      -9.1117      1.00000
     70      -8.9402      1.00000
     71      -8.8725      1.00000
     72      -8.6046      1.00000
     73      -8.5910      1.00000
     74      -8.2368      1.00000
     75      -8.1006      1.00000
     76      -7.9135      1.00000
     77      -7.8641      1.00000
     78      -7.7719      1.00000
     79      -7.7570      1.00000
     80      -7.6923      1.00000
     81      -7.5607      1.00000
     82      -7.3390      1.00000
     83      -7.3229      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0125      1.00000
     88      -6.7047      1.00000
     89      -6.6784      1.00000
     90      -6.6413      1.00000
     91      -6.5979      1.00000
     92      -6.1159      1.00000
     93      -6.0624      1.00000
     94      -6.0313      1.00000
     95      -6.0116      1.00000
     96      -5.7835      1.00000
     97      -4.9745      1.00000
     98      -4.8322      1.00000
     99      -4.7471      1.00000
    100      -4.6795      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1720      1.00000
    104      -4.1280      1.00000
    105      -3.7296      1.00000
    106      -3.4878      1.00000
    107      -1.8704      0.00000
    108      -1.8089      0.00000
    109      -1.5244      0.00000
    110      -1.3776      0.00000
    111      -1.3214      0.00000
    112      -1.2880      0.00000
    113      -0.7199      0.00000
    114      -0.3760      0.00000
    115      -0.2499      0.00000
    116       0.0369      0.00000
    117       0.5560      0.00000
    118       0.6985      0.00000
    119       0.7464      0.00000
    120       1.0480      0.00000
    121       1.1000      0.00000
    122       1.1498      0.00000
    123       1.2274      0.00000
    124       1.3779      0.00000
    125       1.5242      0.00000
    126       1.5841      0.00000
    127       1.7155      0.00000
    128       1.8146      0.00000
    129       1.8579      0.00000
    130       1.8818      0.00000
    131       2.0966      0.00000
    132       2.1875      0.00000
    133       2.2418      0.00000
    134       2.3074      0.00000
    135       2.5147      0.00000
    136       2.5903      0.00000
    137       2.6418      0.00000
    138       2.7803      0.00000
    139       2.7976      0.00000
    140       2.8270      0.00000
    141       2.8604      0.00000
    142       2.9020      0.00000
    143       2.9434      0.00000
    144       3.0826      0.00000
    145       3.1548      0.00000
    146       3.3193      0.00000
    147       3.3845      0.00000
    148       3.4302      0.00000
    149       3.4701      0.00000
    150       3.6205      0.00000
    151       3.6476      0.00000
    152       3.6709      0.00000
    153       3.7157      0.00000
    154       3.9133      0.00000
    155       3.9620      0.00000
    156       4.0180      0.00000
    157       4.0685      0.00000
    158       4.2410      0.00000
    159       4.2536      0.00000
    160       4.2770      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2849      1.00000
      2     -22.0793      1.00000
      3     -21.7179      1.00000
      4     -21.6861      1.00000
      5     -20.9806      1.00000
      6     -20.9400      1.00000
      7     -20.6130      1.00000
      8     -20.5763      1.00000
      9     -20.5701      1.00000
     10     -20.0337      1.00000
     11     -19.5044      1.00000
     12     -19.4927      1.00000
     13     -19.3078      1.00000
     14     -19.3026      1.00000
     15     -18.4486      1.00000
     16     -18.4119      1.00000
     17     -17.9231      1.00000
     18     -17.9137      1.00000
     19     -17.7624      1.00000
     20     -17.7266      1.00000
     21     -17.4366      1.00000
     22     -17.4292      1.00000
     23     -17.3415      1.00000
     24     -16.4635      1.00000
     25     -16.4624      1.00000
     26     -15.9678      1.00000
     27     -15.4151      1.00000
     28     -15.4096      1.00000
     29     -15.0973      1.00000
     30     -15.0939      1.00000
     31     -14.8555      1.00000
     32     -14.8479      1.00000
     33     -14.2908      1.00000
     34     -14.2580      1.00000
     35     -13.4371      1.00000
     36     -13.4046      1.00000
     37     -13.1779      1.00000
     38     -13.1746      1.00000
     39     -12.9826      1.00000
     40     -12.9777      1.00000
     41     -12.6134      1.00000
     42     -12.6103      1.00000
     43     -12.1981      1.00000
     44     -11.5771      1.00000
     45     -11.5434      1.00000
     46     -11.3112      1.00000
     47     -11.2884      1.00000
     48     -11.1423      1.00000
     49     -10.6768      1.00000
     50     -10.6607      1.00000
     51     -10.5537      1.00000
     52     -10.3238      1.00000
     53     -10.3181      1.00000
     54     -10.1699      1.00000
     55     -10.1156      1.00000
     56     -10.1130      1.00000
     57      -9.7988      1.00000
     58      -9.7652      1.00000
     59      -9.7524      1.00000
     60      -9.7004      1.00000
     61      -9.6972      1.00000
     62      -9.6627      1.00000
     63      -9.3546      1.00000
     64      -9.3518      1.00000
     65      -9.3159      1.00000
     66      -9.0415      1.00000
     67      -8.9624      1.00000
     68      -8.9499      1.00000
     69      -8.8000      1.00000
     70      -8.5952      1.00000
     71      -8.5581      1.00000
     72      -8.3988      1.00000
     73      -8.3653      1.00000
     74      -8.3247      1.00000
     75      -8.3073      1.00000
     76      -8.2590      1.00000
     77      -8.2574      1.00000
     78      -8.2366      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3866      1.00000
     83      -7.3495      1.00000
     84      -7.2310      1.00000
     85      -7.0967      1.00000
     86      -7.0391      1.00000
     87      -6.9342      1.00000
     88      -6.8483      1.00000
     89      -6.6127      1.00000
     90      -6.5588      1.00000
     91      -6.2698      1.00000
     92      -6.0440      1.00000
     93      -5.9518      1.00000
     94      -5.6629      1.00000
     95      -5.6228      1.00000
     96      -5.4633      1.00000
     97      -5.3201      1.00000
     98      -5.2790      1.00000
     99      -5.2140      1.00000
    100      -5.1940      1.00000
    101      -4.5085      1.00000
    102      -4.2077      1.00000
    103      -4.0593      1.00000
    104      -3.9892      1.00000
    105      -3.6944      1.00000
    106      -3.4980      1.00000
    107      -1.9462      0.00000
    108      -1.8963      0.00000
    109      -1.3390      0.00000
    110      -1.0849      0.00000
    111      -1.0582      0.00000
    112      -0.8003      0.00000
    113      -0.6776      0.00000
    114      -0.6468      0.00000
    115      -0.6072      0.00000
    116      -0.1080      0.00000
    117       0.2155      0.00000
    118       0.3291      0.00000
    119       0.6944      0.00000
    120       0.8877      0.00000
    121       1.1273      0.00000
    122       1.1992      0.00000
    123       1.3265      0.00000
    124       1.4212      0.00000
    125       1.5545      0.00000
    126       1.5764      0.00000
    127       1.6804      0.00000
    128       1.8083      0.00000
    129       1.8843      0.00000
    130       2.0564      0.00000
    131       2.1242      0.00000
    132       2.3272      0.00000
    133       2.3593      0.00000
    134       2.3964      0.00000
    135       2.5474      0.00000
    136       2.6314      0.00000
    137       2.7301      0.00000
    138       2.7586      0.00000
    139       2.8279      0.00000
    140       2.8836      0.00000
    141       3.0491      0.00000
    142       3.0592      0.00000
    143       3.1649      0.00000
    144       3.2654      0.00000
    145       3.3616      0.00000
    146       3.4162      0.00000
    147       3.4344      0.00000
    148       3.5678      0.00000
    149       3.5855      0.00000
    150       3.6027      0.00000
    151       3.6605      0.00000
    152       3.6758      0.00000
    153       3.7817      0.00000
    154       3.8024      0.00000
    155       3.8087      0.00000
    156       3.8948      0.00000
    157       3.9230      0.00000
    158       3.9950      0.00000
    159       4.2159      0.00000
    160       4.2266      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.9642      1.00000
      3     -21.8950      1.00000
      4     -21.3822      1.00000
      5     -21.3530      1.00000
      6     -20.8409      1.00000
      7     -20.7756      1.00000
      8     -20.6253      1.00000
      9     -20.0788      1.00000
     10     -20.0731      1.00000
     11     -19.7179      1.00000
     12     -19.6934      1.00000
     13     -18.9975      1.00000
     14     -18.9916      1.00000
     15     -18.6416      1.00000
     16     -18.6257      1.00000
     17     -18.4630      1.00000
     18     -17.6761      1.00000
     19     -17.6257      1.00000
     20     -17.6228      1.00000
     21     -17.5810      1.00000
     22     -17.1273      1.00000
     23     -17.1058      1.00000
     24     -16.9627      1.00000
     25     -16.0023      1.00000
     26     -15.9305      1.00000
     27     -15.5865      1.00000
     28     -15.5862      1.00000
     29     -15.2876      1.00000
     30     -14.8648      1.00000
     31     -14.8375      1.00000
     32     -14.5795      1.00000
     33     -14.5376      1.00000
     34     -14.1694      1.00000
     35     -14.1558      1.00000
     36     -13.1485      1.00000
     37     -13.1013      1.00000
     38     -13.0302      1.00000
     39     -13.0200      1.00000
     40     -12.7095      1.00000
     41     -12.7053      1.00000
     42     -12.3423      1.00000
     43     -12.3110      1.00000
     44     -11.6365      1.00000
     45     -11.6229      1.00000
     46     -11.5727      1.00000
     47     -10.9501      1.00000
     48     -10.9170      1.00000
     49     -10.6329      1.00000
     50     -10.6248      1.00000
     51     -10.5479      1.00000
     52     -10.5002      1.00000
     53     -10.4999      1.00000
     54     -10.4399      1.00000
     55     -10.3607      1.00000
     56     -10.1001      1.00000
     57      -9.9042      1.00000
     58      -9.6088      1.00000
     59      -9.5565      1.00000
     60      -9.4530      1.00000
     61      -9.4126      1.00000
     62      -9.4057      1.00000
     63      -9.3776      1.00000
     64      -9.3772      1.00000
     65      -9.2880      1.00000
     66      -9.1691      1.00000
     67      -9.1435      1.00000
     68      -9.1152      1.00000
     69      -8.8652      1.00000
     70      -8.8576      1.00000
     71      -8.8157      1.00000
     72      -8.5975      1.00000
     73      -8.4805      1.00000
     74      -8.1991      1.00000
     75      -8.1637      1.00000
     76      -8.0093      1.00000
     77      -7.9640      1.00000
     78      -7.8507      1.00000
     79      -7.8406      1.00000
     80      -7.7044      1.00000
     81      -7.6971      1.00000
     82      -7.6224      1.00000
     83      -7.4491      1.00000
     84      -7.3009      1.00000
     85      -7.2533      1.00000
     86      -6.9065      1.00000
     87      -6.8928      1.00000
     88      -6.5890      1.00000
     89      -6.5515      1.00000
     90      -6.4062      1.00000
     91      -6.2537      1.00000
     92      -6.2330      1.00000
     93      -6.2056      1.00000
     94      -6.0232      1.00000
     95      -5.5502      1.00000
     96      -5.4891      1.00000
     97      -5.3505      1.00000
     98      -5.2198      1.00000
     99      -4.9795      1.00000
    100      -4.7327      1.00000
    101      -4.6781      1.00000
    102      -4.3875      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5464      1.00000
    106      -3.5100      1.00000
    107      -2.2563      0.00000
    108      -1.4566      0.00000
    109      -1.3713      0.00000
    110      -1.2418      0.00000
    111      -1.0979      0.00000
    112      -0.9450      0.00000
    113      -0.8637      0.00000
    114      -0.8033      0.00000
    115      -0.1393      0.00000
    116       0.1111      0.00000
    117       0.2407      0.00000
    118       0.3777      0.00000
    119       0.6519      0.00000
    120       0.8359      0.00000
    121       0.9366      0.00000
    122       1.0639      0.00000
    123       1.2336      0.00000
    124       1.4483      0.00000
    125       1.5515      0.00000
    126       1.7664      0.00000
    127       1.7936      0.00000
    128       1.8746      0.00000
    129       1.9704      0.00000
    130       2.0447      0.00000
    131       2.1770      0.00000
    132       2.1941      0.00000
    133       2.4112      0.00000
    134       2.4609      0.00000
    135       2.5303      0.00000
    136       2.6043      0.00000
    137       2.6379      0.00000
    138       2.6960      0.00000
    139       2.7807      0.00000
    140       2.8357      0.00000
    141       2.9502      0.00000
    142       3.0855      0.00000
    143       3.2025      0.00000
    144       3.2104      0.00000
    145       3.2587      0.00000
    146       3.3268      0.00000
    147       3.3341      0.00000
    148       3.4681      0.00000
    149       3.5007      0.00000
    150       3.6985      0.00000
    151       3.7115      0.00000
    152       3.7272      0.00000
    153       3.8583      0.00000
    154       3.9138      0.00000
    155       3.9488      0.00000
    156       3.9813      0.00000
    157       4.0161      0.00000
    158       4.0343      0.00000
    159       4.0515      0.00000
    160       4.0707      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2119      1.00000
      2     -22.1189      1.00000
      3     -21.9582      1.00000
      4     -21.4057      1.00000
      5     -21.0511      1.00000
      6     -21.0151      1.00000
      7     -20.5019      1.00000
      8     -20.4625      1.00000
      9     -20.2961      1.00000
     10     -20.2768      1.00000
     11     -19.9587      1.00000
     12     -19.8930      1.00000
     13     -18.8836      1.00000
     14     -18.8148      1.00000
     15     -18.3538      1.00000
     16     -18.3076      1.00000
     17     -18.1540      1.00000
     18     -18.1368      1.00000
     19     -17.8277      1.00000
     20     -17.7901      1.00000
     21     -17.2525      1.00000
     22     -17.2425      1.00000
     23     -17.1655      1.00000
     24     -17.1337      1.00000
     25     -16.1110      1.00000
     26     -15.8865      1.00000
     27     -15.8712      1.00000
     28     -15.8350      1.00000
     29     -15.2371      1.00000
     30     -14.5559      1.00000
     31     -14.5280      1.00000
     32     -14.2808      1.00000
     33     -13.9645      1.00000
     34     -13.9570      1.00000
     35     -13.8209      1.00000
     36     -13.8051      1.00000
     37     -13.6154      1.00000
     38     -13.5716      1.00000
     39     -13.3710      1.00000
     40     -12.6354      1.00000
     41     -12.1816      1.00000
     42     -12.1336      1.00000
     43     -12.0730      1.00000
     44     -12.0207      1.00000
     45     -11.6701      1.00000
     46     -11.6566      1.00000
     47     -11.1395      1.00000
     48     -11.1189      1.00000
     49     -10.7954      1.00000
     50     -10.7319      1.00000
     51     -10.5295      1.00000
     52     -10.2091      1.00000
     53     -10.2064      1.00000
     54     -10.1654      1.00000
     55     -10.0184      1.00000
     56     -10.0049      1.00000
     57      -9.9913      1.00000
     58      -9.8018      1.00000
     59      -9.7980      1.00000
     60      -9.7627      1.00000
     61      -9.7579      1.00000
     62      -9.4552      1.00000
     63      -9.4180      1.00000
     64      -9.0810      1.00000
     65      -9.0729      1.00000
     66      -9.0413      1.00000
     67      -8.9558      1.00000
     68      -8.8778      1.00000
     69      -8.7126      1.00000
     70      -8.7003      1.00000
     71      -8.5664      1.00000
     72      -8.5435      1.00000
     73      -8.4998      1.00000
     74      -8.4630      1.00000
     75      -8.4538      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0438      1.00000
     79      -7.9160      1.00000
     80      -7.8635      1.00000
     81      -7.6152      1.00000
     82      -7.5489      1.00000
     83      -7.4902      1.00000
     84      -7.2681      1.00000
     85      -6.9955      1.00000
     86      -6.9233      1.00000
     87      -6.8823      1.00000
     88      -6.5327      1.00000
     89      -6.4874      1.00000
     90      -6.4615      1.00000
     91      -6.4105      1.00000
     92      -5.9841      1.00000
     93      -5.8976      1.00000
     94      -5.7847      1.00000
     95      -5.7598      1.00000
     96      -5.4323      1.00000
     97      -5.3294      1.00000
     98      -5.2304      1.00000
     99      -5.2179      1.00000
    100      -5.1885      1.00000
    101      -4.6922      1.00000
    102      -4.4215      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5292      1.00000
    106      -3.2742      1.00000
    107      -2.5312      0.00000
    108      -1.4581      0.00000
    109      -1.2667      0.00000
    110      -1.2029      0.00000
    111      -1.1725      0.00000
    112      -0.7196      0.00000
    113      -0.5035      0.00000
    114      -0.4119      0.00000
    115      -0.3395      0.00000
    116      -0.1459      0.00000
    117      -0.0028      0.00000
    118       0.1939      0.00000
    119       0.5613      0.00000
    120       0.6125      0.00000
    121       0.7964      0.00000
    122       0.9071      0.00000
    123       1.1327      0.00000
    124       1.4942      0.00000
    125       1.6352      0.00000
    126       1.8548      0.00000
    127       1.9278      0.00000
    128       2.1063      0.00000
    129       2.1165      0.00000
    130       2.1523      0.00000
    131       2.1880      0.00000
    132       2.2799      0.00000
    133       2.3403      0.00000
    134       2.4687      0.00000
    135       2.5813      0.00000
    136       2.6587      0.00000
    137       2.8551      0.00000
    138       2.8717      0.00000
    139       2.8941      0.00000
    140       3.0213      0.00000
    141       3.0283      0.00000
    142       3.1410      0.00000
    143       3.1829      0.00000
    144       3.2355      0.00000
    145       3.2757      0.00000
    146       3.2848      0.00000
    147       3.3007      0.00000
    148       3.3471      0.00000
    149       3.4242      0.00000
    150       3.4454      0.00000
    151       3.5540      0.00000
    152       3.6240      0.00000
    153       3.7086      0.00000
    154       3.7326      0.00000
    155       3.7736      0.00000
    156       3.8950      0.00000
    157       3.9431      0.00000
    158       4.0070      0.00000
    159       4.1329      0.00000
    160       4.2254      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3187      1.00000
      2     -21.9657      1.00000
      3     -21.8935      1.00000
      4     -21.3859      1.00000
      5     -21.3495      1.00000
      6     -20.8407      1.00000
      7     -20.7743      1.00000
      8     -20.6262      1.00000
      9     -20.0907      1.00000
     10     -20.0619      1.00000
     11     -19.7195      1.00000
     12     -19.6907      1.00000
     13     -19.0108      1.00000
     14     -18.9797      1.00000
     15     -18.6507      1.00000
     16     -18.6180      1.00000
     17     -18.4616      1.00000
     18     -17.6613      1.00000
     19     -17.6476      1.00000
     20     -17.6114      1.00000
     21     -17.5789      1.00000
     22     -17.1380      1.00000
     23     -17.0981      1.00000
     24     -16.9664      1.00000
     25     -16.0087      1.00000
     26     -15.9239      1.00000
     27     -15.5998      1.00000
     28     -15.5762      1.00000
     29     -15.2804      1.00000
     30     -14.8775      1.00000
     31     -14.8304      1.00000
     32     -14.5753      1.00000
     33     -14.5375      1.00000
     34     -14.1644      1.00000
     35     -14.1603      1.00000
     36     -13.1627      1.00000
     37     -13.0969      1.00000
     38     -13.0238      1.00000
     39     -13.0190      1.00000
     40     -12.7185      1.00000
     41     -12.6952      1.00000
     42     -12.3414      1.00000
     43     -12.3142      1.00000
     44     -11.6318      1.00000
     45     -11.6227      1.00000
     46     -11.5707      1.00000
     47     -10.9412      1.00000
     48     -10.9234      1.00000
     49     -10.6695      1.00000
     50     -10.5902      1.00000
     51     -10.5736      1.00000
     52     -10.5011      1.00000
     53     -10.4897      1.00000
     54     -10.4394      1.00000
     55     -10.3568      1.00000
     56     -10.1045      1.00000
     57      -9.8985      1.00000
     58      -9.6092      1.00000
     59      -9.5520      1.00000
     60      -9.4548      1.00000
     61      -9.4181      1.00000
     62      -9.4099      1.00000
     63      -9.3799      1.00000
     64      -9.3728      1.00000
     65      -9.2681      1.00000
     66      -9.1653      1.00000
     67      -9.1413      1.00000
     68      -9.1159      1.00000
     69      -8.8663      1.00000
     70      -8.8603      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1933      1.00000
     75      -8.1706      1.00000
     76      -8.0762      1.00000
     77      -7.8580      1.00000
     78      -7.8372      1.00000
     79      -7.8242      1.00000
     80      -7.7106      1.00000
     81      -7.6962      1.00000
     82      -7.5978      1.00000
     83      -7.5301      1.00000
     84      -7.3507      1.00000
     85      -7.1680      1.00000
     86      -6.9052      1.00000
     87      -6.8959      1.00000
     88      -6.5928      1.00000
     89      -6.5516      1.00000
     90      -6.4062      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2010      1.00000
     94      -6.0042      1.00000
     95      -5.5320      1.00000
     96      -5.4654      1.00000
     97      -5.3143      1.00000
     98      -5.2097      1.00000
     99      -5.0470      1.00000
    100      -4.7236      1.00000
    101      -4.6717      1.00000
    102      -4.4239      1.00000
    103      -4.1948      1.00000
    104      -3.8428      1.00000
    105      -3.6345      1.00000
    106      -3.4163      1.00000
    107      -2.2925      0.00000
    108      -1.5094      0.00000
    109      -1.2700      0.00000
    110      -1.2623      0.00000
    111      -1.0343      0.00000
    112      -0.9778      0.00000
    113      -0.8681      0.00000
    114      -0.7998      0.00000
    115      -0.2616      0.00000
    116       0.2044      0.00000
    117       0.2395      0.00000
    118       0.3600      0.00000
    119       0.6910      0.00000
    120       0.8942      0.00000
    121       0.9239      0.00000
    122       1.0406      0.00000
    123       1.1671      0.00000
    124       1.5100      0.00000
    125       1.5603      0.00000
    126       1.7114      0.00000
    127       1.7789      0.00000
    128       1.8341      0.00000
    129       1.9636      0.00000
    130       1.9858      0.00000
    131       2.1847      0.00000
    132       2.2630      0.00000
    133       2.4163      0.00000
    134       2.4670      0.00000
    135       2.5281      0.00000
    136       2.6008      0.00000
    137       2.6188      0.00000
    138       2.6995      0.00000
    139       2.7603      0.00000
    140       2.8648      0.00000
    141       3.0366      0.00000
    142       3.0836      0.00000
    143       3.1902      0.00000
    144       3.2471      0.00000
    145       3.2605      0.00000
    146       3.2992      0.00000
    147       3.3592      0.00000
    148       3.4532      0.00000
    149       3.5214      0.00000
    150       3.6922      0.00000
    151       3.7174      0.00000
    152       3.7486      0.00000
    153       3.8314      0.00000
    154       3.8921      0.00000
    155       3.9349      0.00000
    156       3.9801      0.00000
    157       4.0098      0.00000
    158       4.0425      0.00000
    159       4.0489      0.00000
    160       4.0849      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8321      1.00000
      3     -21.6427      1.00000
      4     -21.6077      1.00000
      5     -21.2800      1.00000
      6     -21.2330      1.00000
      7     -21.0577      1.00000
      8     -20.1726      1.00000
      9     -20.1264      1.00000
     10     -19.6179      1.00000
     11     -19.5917      1.00000
     12     -19.4167      1.00000
     13     -19.0956      1.00000
     14     -19.0569      1.00000
     15     -19.0525      1.00000
     16     -19.0397      1.00000
     17     -18.3676      1.00000
     18     -18.3479      1.00000
     19     -18.0175      1.00000
     20     -17.0731      1.00000
     21     -17.0243      1.00000
     22     -16.9503      1.00000
     23     -16.9365      1.00000
     24     -16.4753      1.00000
     25     -16.4634      1.00000
     26     -15.6101      1.00000
     27     -15.6096      1.00000
     28     -15.2505      1.00000
     29     -15.2384      1.00000
     30     -15.1923      1.00000
     31     -15.1022      1.00000
     32     -15.0692      1.00000
     33     -14.6988      1.00000
     34     -14.6979      1.00000
     35     -13.7254      1.00000
     36     -13.7253      1.00000
     37     -13.2359      1.00000
     38     -12.6247      1.00000
     39     -12.5806      1.00000
     40     -12.4555      1.00000
     41     -12.4501      1.00000
     42     -12.1053      1.00000
     43     -12.1004      1.00000
     44     -11.7219      1.00000
     45     -11.6833      1.00000
     46     -11.2456      1.00000
     47     -11.2250      1.00000
     48     -11.0182      1.00000
     49     -11.0065      1.00000
     50     -10.9281      1.00000
     51     -10.8994      1.00000
     52     -10.6377      1.00000
     53     -10.1729      1.00000
     54     -10.1500      1.00000
     55     -10.0852      1.00000
     56      -9.9927      1.00000
     57      -9.6966      1.00000
     58      -9.6901      1.00000
     59      -9.6710      1.00000
     60      -9.5915      1.00000
     61      -9.5675      1.00000
     62      -9.5543      1.00000
     63      -9.3132      1.00000
     64      -9.3006      1.00000
     65      -9.2837      1.00000
     66      -9.2431      1.00000
     67      -9.1227      1.00000
     68      -9.1130      1.00000
     69      -9.1113      1.00000
     70      -8.9401      1.00000
     71      -8.8753      1.00000
     72      -8.6049      1.00000
     73      -8.5862      1.00000
     74      -8.2712      1.00000
     75      -8.1016      1.00000
     76      -7.8676      1.00000
     77      -7.8440      1.00000
     78      -7.7908      1.00000
     79      -7.7650      1.00000
     80      -7.7560      1.00000
     81      -7.4473      1.00000
     82      -7.3350      1.00000
     83      -7.3235      1.00000
     84      -7.2664      1.00000
     85      -7.1628      1.00000
     86      -7.0148      1.00000
     87      -6.9867      1.00000
     88      -6.7179      1.00000
     89      -6.6908      1.00000
     90      -6.6319      1.00000
     91      -6.5908      1.00000
     92      -6.1179      1.00000
     93      -6.0590      1.00000
     94      -6.0448      1.00000
     95      -6.0286      1.00000
     96      -5.7481      1.00000
     97      -4.9748      1.00000
     98      -4.8397      1.00000
     99      -4.7091      1.00000
    100      -4.6735      1.00000
    101      -4.4837      1.00000
    102      -4.3523      1.00000
    103      -4.1119      1.00000
    104      -4.0556      1.00000
    105      -3.7550      1.00000
    106      -3.4654      1.00000
    107      -1.9506      0.00000
    108      -1.7711      0.00000
    109      -1.4798      0.00000
    110      -1.3555      0.00000
    111      -1.3359      0.00000
    112      -1.2926      0.00000
    113      -0.6785      0.00000
    114      -0.4719      0.00000
    115      -0.2355      0.00000
    116       0.0516      0.00000
    117       0.5877      0.00000
    118       0.6924      0.00000
    119       0.7701      0.00000
    120       1.0228      0.00000
    121       1.0970      0.00000
    122       1.1768      0.00000
    123       1.2501      0.00000
    124       1.3349      0.00000
    125       1.4338      0.00000
    126       1.6005      0.00000
    127       1.7638      0.00000
    128       1.8429      0.00000
    129       1.8601      0.00000
    130       1.8877      0.00000
    131       2.0456      0.00000
    132       2.2178      0.00000
    133       2.2332      0.00000
    134       2.2870      0.00000
    135       2.4809      0.00000
    136       2.6199      0.00000
    137       2.6429      0.00000
    138       2.7538      0.00000
    139       2.7971      0.00000
    140       2.8363      0.00000
    141       2.8483      0.00000
    142       2.8719      0.00000
    143       2.9478      0.00000
    144       3.0867      0.00000
    145       3.3161      0.00000
    146       3.3556      0.00000
    147       3.4074      0.00000
    148       3.4202      0.00000
    149       3.4258      0.00000
    150       3.6049      0.00000
    151       3.6516      0.00000
    152       3.6788      0.00000
    153       3.7321      0.00000
    154       3.8967      0.00000
    155       3.9260      0.00000
    156       3.9574      0.00000
    157       4.1079      0.00000
    158       4.2072      0.00000
    159       4.2591      0.00000
    160       4.2849      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2110      1.00000
      2     -22.1202      1.00000
      3     -21.9579      1.00000
      4     -21.4058      1.00000
      5     -21.0472      1.00000
      6     -21.0189      1.00000
      7     -20.4971      1.00000
      8     -20.4672      1.00000
      9     -20.2873      1.00000
     10     -20.2853      1.00000
     11     -19.9576      1.00000
     12     -19.8945      1.00000
     13     -18.8842      1.00000
     14     -18.8166      1.00000
     15     -18.3386      1.00000
     16     -18.3195      1.00000
     17     -18.1499      1.00000
     18     -18.1424      1.00000
     19     -17.8166      1.00000
     20     -17.7985      1.00000
     21     -17.2587      1.00000
     22     -17.2391      1.00000
     23     -17.1608      1.00000
     24     -17.1360      1.00000
     25     -16.1175      1.00000
     26     -15.8812      1.00000
     27     -15.8701      1.00000
     28     -15.8409      1.00000
     29     -15.2314      1.00000
     30     -14.5513      1.00000
     31     -14.5330      1.00000
     32     -14.2761      1.00000
     33     -13.9756      1.00000
     34     -13.9519      1.00000
     35     -13.8253      1.00000
     36     -13.8030      1.00000
     37     -13.6044      1.00000
     38     -13.5792      1.00000
     39     -13.3712      1.00000
     40     -12.6396      1.00000
     41     -12.1691      1.00000
     42     -12.1428      1.00000
     43     -12.0685      1.00000
     44     -12.0217      1.00000
     45     -11.6655      1.00000
     46     -11.6608      1.00000
     47     -11.1369      1.00000
     48     -11.1258      1.00000
     49     -10.7906      1.00000
     50     -10.7344      1.00000
     51     -10.5361      1.00000
     52     -10.2090      1.00000
     53     -10.2028      1.00000
     54     -10.1711      1.00000
     55     -10.0233      1.00000
     56      -9.9948      1.00000
     57      -9.9907      1.00000
     58      -9.8055      1.00000
     59      -9.7965      1.00000
     60      -9.7649      1.00000
     61      -9.7569      1.00000
     62      -9.4545      1.00000
     63      -9.4179      1.00000
     64      -9.0852      1.00000
     65      -9.0463      1.00000
     66      -9.0260      1.00000
     67      -8.9698      1.00000
     68      -8.8982      1.00000
     69      -8.7086      1.00000
     70      -8.6994      1.00000
     71      -8.5600      1.00000
     72      -8.5493      1.00000
     73      -8.4782      1.00000
     74      -8.4599      1.00000
     75      -8.4571      1.00000
     76      -8.3087      1.00000
     77      -8.0955      1.00000
     78      -8.0896      1.00000
     79      -7.9269      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5369      1.00000
     83      -7.4437      1.00000
     84      -7.3142      1.00000
     85      -6.9942      1.00000
     86      -6.9195      1.00000
     87      -6.8825      1.00000
     88      -6.5277      1.00000
     89      -6.5149      1.00000
     90      -6.4809      1.00000
     91      -6.4208      1.00000
     92      -5.9273      1.00000
     93      -5.9054      1.00000
     94      -5.7890      1.00000
     95      -5.7751      1.00000
     96      -5.3695      1.00000
     97      -5.3633      1.00000
     98      -5.2205      1.00000
     99      -5.2155      1.00000
    100      -5.1989      1.00000
    101      -4.7204      1.00000
    102      -4.4424      1.00000
    103      -4.1909      1.00000
    104      -3.8204      1.00000
    105      -3.5655      1.00000
    106      -3.2215      1.00000
    107      -2.5626      0.00000
    108      -1.4632      0.00000
    109      -1.2673      0.00000
    110      -1.1852      0.00000
    111      -1.1837      0.00000
    112      -0.6447      0.00000
    113      -0.5514      0.00000
    114      -0.4147      0.00000
    115      -0.3474      0.00000
    116      -0.0776      0.00000
    117      -0.0633      0.00000
    118       0.1259      0.00000
    119       0.5931      0.00000
    120       0.6265      0.00000
    121       0.8553      0.00000
    122       0.9859      0.00000
    123       1.0035      0.00000
    124       1.4944      0.00000
    125       1.6841      0.00000
    126       1.7668      0.00000
    127       1.8621      0.00000
    128       2.1149      0.00000
    129       2.1470      0.00000
    130       2.1896      0.00000
    131       2.2103      0.00000
    132       2.2567      0.00000
    133       2.3547      0.00000
    134       2.4944      0.00000
    135       2.5115      0.00000
    136       2.6664      0.00000
    137       2.8526      0.00000
    138       2.8595      0.00000
    139       2.9546      0.00000
    140       3.0091      0.00000
    141       3.0425      0.00000
    142       3.1358      0.00000
    143       3.1953      0.00000
    144       3.2457      0.00000
    145       3.2544      0.00000
    146       3.2810      0.00000
    147       3.3035      0.00000
    148       3.3548      0.00000
    149       3.4204      0.00000
    150       3.5506      0.00000
    151       3.5662      0.00000
    152       3.6478      0.00000
    153       3.6641      0.00000
    154       3.7044      0.00000
    155       3.7300      0.00000
    156       3.8973      0.00000
    157       3.9631      0.00000
    158       4.0390      0.00000
    159       4.0775      0.00000
    160       4.1864      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2845      1.00000
      2     -22.0799      1.00000
      3     -21.7215      1.00000
      4     -21.6823      1.00000
      5     -20.9840      1.00000
      6     -20.9362      1.00000
      7     -20.6125      1.00000
      8     -20.5803      1.00000
      9     -20.5667      1.00000
     10     -20.0333      1.00000
     11     -19.5143      1.00000
     12     -19.4842      1.00000
     13     -19.3123      1.00000
     14     -19.2993      1.00000
     15     -18.4506      1.00000
     16     -18.4074      1.00000
     17     -17.9283      1.00000
     18     -17.9079      1.00000
     19     -17.7668      1.00000
     20     -17.7218      1.00000
     21     -17.4423      1.00000
     22     -17.4238      1.00000
     23     -17.3389      1.00000
     24     -16.4714      1.00000
     25     -16.4612      1.00000
     26     -15.9714      1.00000
     27     -15.4115      1.00000
     28     -15.4106      1.00000
     29     -15.0964      1.00000
     30     -15.0934      1.00000
     31     -14.8536      1.00000
     32     -14.8412      1.00000
     33     -14.2985      1.00000
     34     -14.2547      1.00000
     35     -13.4448      1.00000
     36     -13.4010      1.00000
     37     -13.1755      1.00000
     38     -13.1741      1.00000
     39     -12.9865      1.00000
     40     -12.9775      1.00000
     41     -12.6110      1.00000
     42     -12.6089      1.00000
     43     -12.1974      1.00000
     44     -11.5798      1.00000
     45     -11.5387      1.00000
     46     -11.3137      1.00000
     47     -11.2834      1.00000
     48     -11.1425      1.00000
     49     -10.6926      1.00000
     50     -10.6633      1.00000
     51     -10.5475      1.00000
     52     -10.3228      1.00000
     53     -10.3151      1.00000
     54     -10.1762      1.00000
     55     -10.1215      1.00000
     56     -10.1082      1.00000
     57      -9.8120      1.00000
     58      -9.7530      1.00000
     59      -9.7525      1.00000
     60      -9.7027      1.00000
     61      -9.6988      1.00000
     62      -9.6473      1.00000
     63      -9.3530      1.00000
     64      -9.3516      1.00000
     65      -9.3180      1.00000
     66      -9.0282      1.00000
     67      -8.9619      1.00000
     68      -8.9581      1.00000
     69      -8.7758      1.00000
     70      -8.5917      1.00000
     71      -8.5886      1.00000
     72      -8.4241      1.00000
     73      -8.3500      1.00000
     74      -8.3226      1.00000
     75      -8.3024      1.00000
     76      -8.2658      1.00000
     77      -8.2542      1.00000
     78      -8.2394      1.00000
     79      -7.9217      1.00000
     80      -7.7341      1.00000
     81      -7.3799      1.00000
     82      -7.3503      1.00000
     83      -7.3237      1.00000
     84      -7.2176      1.00000
     85      -7.1605      1.00000
     86      -7.0654      1.00000
     87      -6.9610      1.00000
     88      -6.9054      1.00000
     89      -6.6134      1.00000
     90      -6.5569      1.00000
     91      -6.2710      1.00000
     92      -5.9968      1.00000
     93      -5.9596      1.00000
     94      -5.6754      1.00000
     95      -5.6488      1.00000
     96      -5.3875      1.00000
     97      -5.3152      1.00000
     98      -5.2941      1.00000
     99      -5.2121      1.00000
    100      -5.2005      1.00000
    101      -4.5115      1.00000
    102      -4.3388      1.00000
    103      -3.9965      1.00000
    104      -3.8860      1.00000
    105      -3.7929      1.00000
    106      -3.4433      1.00000
    107      -2.0345      0.00000
    108      -1.8634      0.00000
    109      -1.2176      0.00000
    110      -1.1842      0.00000
    111      -1.0358      0.00000
    112      -0.7722      0.00000
    113      -0.6773      0.00000
    114      -0.6599      0.00000
    115      -0.6096      0.00000
    116      -0.1017      0.00000
    117       0.2226      0.00000
    118       0.2397      0.00000
    119       0.7699      0.00000
    120       0.9841      0.00000
    121       1.0739      0.00000
    122       1.2416      0.00000
    123       1.2511      0.00000
    124       1.3410      0.00000
    125       1.5787      0.00000
    126       1.5852      0.00000
    127       1.7029      0.00000
    128       1.7986      0.00000
    129       1.9468      0.00000
    130       1.9626      0.00000
    131       2.0854      0.00000
    132       2.2948      0.00000
    133       2.3424      0.00000
    134       2.4166      0.00000
    135       2.5444      0.00000
    136       2.6294      0.00000
    137       2.7671      0.00000
    138       2.8309      0.00000
    139       2.8437      0.00000
    140       2.8688      0.00000
    141       3.0492      0.00000
    142       3.1008      0.00000
    143       3.1533      0.00000
    144       3.2226      0.00000
    145       3.3750      0.00000
    146       3.4145      0.00000
    147       3.5057      0.00000
    148       3.5527      0.00000
    149       3.5908      0.00000
    150       3.6121      0.00000
    151       3.6492      0.00000
    152       3.7359      0.00000
    153       3.7455      0.00000
    154       3.7788      0.00000
    155       3.8177      0.00000
    156       3.8775      0.00000
    157       4.0219      0.00000
    158       4.0870      0.00000
    159       4.1699      0.00000
    160       4.2129      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0417   -7.3901    4.1982   -1.2758   -0.2386   17.5938    0.1473   -0.5324    0.6338   -0.4648
x    -3.0926   -0.0374   -0.0631    0.0616   -0.0091   -2.9773   -0.0109   -0.0070    0.0049    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0417    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0940   -0.0087    0.0374    0.0377
y    -0.0458   -3.2478   -0.5380   -0.1636   -1.1810   -0.6054
z   204.0417    1.1260   -0.2804    0.0408    0.0090    0.0616    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0777    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1654
z    -0.2831    0.1873   -0.0390    0.0470   -0.1050    0.0013
 total charge-density along one line
x   212.0000  -10.2204    6.1463   -2.0858   -0.4744   19.5111   -0.9959    0.4742   -0.0449   -0.1261
x    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2204    6.1463   -2.0858   -0.4744   19.5112   -0.9959    0.4742   -0.0449   -0.1261
y    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4925  189.2923 -170.3678  153.6507 -139.4373  125.4334 -110.1198   93.9731  -78.3592
z    64.1499  -51.4976   40.4325  -31.2272   24.1310  -18.9484   15.0349  -11.7219    8.7173   -6.1226
z     4.1323   -2.7605    1.8231   -1.1123    0.5408   -0.1279   -0.1105    0.2273   -0.3090    0.4000
z    -0.4767    0.4932   -0.4398    0.3547   -0.2860    0.2512   -0.2335    0.2088   -0.1709    0.1317
z    -0.1037    0.0880   -0.0768    0.0637   -0.0490    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0074    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.030   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.585  -0.238   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.368  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.263   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.261   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.649
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.781   0.000   2.640
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.783   0.000   2.647
 28        0.864   1.785   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.785   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.646
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.860   1.781   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.649
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.870  89.435   8.029 142.334
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  115.13: CPU time   58.03
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  459.72: CPU time  230.55
    STRESS:  VPU time 1332.39: CPU time  669.31
    FORCOR:  VPU time    8.61: CPU time    8.61
    FORHAR:  VPU time    2.27: CPU time    2.27
    MIXING:  VPU time    0.17: CPU time    0.17
 d Force =-0.1043528E-08[-0.104E-08,-0.104E-08]  d Energy = 0.4585672E-08-0.563E-08
 d Force =-0.6236651E-04[-0.624E-04,-0.624E-04]  d Ewald  = 0.5538784E-03-0.616E-03


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726418 eV

  energy  without entropy=     -471.726418  energy(sigma->0) =     -471.726418
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40850.02  40804.52 -47548.84    -39.40      0.00      0.00
  Hartree  40274.04  40254.95 -39532.79    -16.53      0.00      0.00
  E(xc)     -779.46   -779.75   -807.39     -0.25      0.00      0.00
  Local   -83408.04 -83352.48  84396.36     48.11      0.00      0.00
  n-local   -216.85   -215.73   -203.41      0.70      0.00      0.00
  augment     20.05     22.04     17.81      1.73      0.00      0.00
  Kinetic   3162.58   3176.29   3584.10      3.52      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.00      0.05     -0.22      0.04      0.00      0.00
  in kB        0.00      0.03     -0.13      0.02      0.00      0.00
  external pressure =       -0.03 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345139576  0.000690022  0.000000000     0.081000926  0.046759937  0.000000000
    -6.171978853 10.691545575  0.000000000    -0.000005228  0.093528829  0.000000000
     0.000000000  0.000000000 19.986394636     0.000000000  0.000000000  0.050034037

  length of vectors
    12.345139595 12.345139520 19.986394636     0.093528828  0.093528829  0.050034037


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.477E-05 -.490E-04 -.951E+03   0.448E-05 -.278E-04 0.960E+03   -.254E-20 -.169E-20 -.869E+01   -.633E-10 0.497E-10 -.425E-04
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   -.208E-05 0.458E-06 -.166E-05
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   0.208E-05 -.458E-06 -.166E-05
   -.206E+01 0.119E+01 0.163E+02   0.206E+01 -.119E+01 -.162E+02   -.327E-02 0.189E-02 -.242E-01   0.655E-06 -.336E-05 0.370E-05
   0.616E+01 0.684E+01 0.194E+02   -.616E+01 -.686E+01 -.193E+02   0.844E-03 0.215E-01 -.272E-01   -.240E-05 -.106E-06 0.391E-05
   0.112E+02 0.510E+01 0.162E+02   -.112E+02 -.510E+01 -.161E+02   0.202E-01 0.844E-02 -.479E-01   -.365E-05 0.133E-05 0.651E-05
   0.471E+01 -.883E+00 0.126E+02   -.473E+01 0.892E+00 -.126E+02   0.146E-01 -.735E-02 -.175E-01   -.186E-05 -.242E-05 0.870E-05
   -.308E+01 -.252E+01 0.126E+02   0.308E+01 0.252E+01 -.126E+02   -.140E-02 0.273E-02 -.130E-01   0.909E-06 -.530E-05 0.572E-05
   0.645E+00 0.393E+01 0.126E+02   -.646E+00 -.393E+01 -.126E+02   -.307E-02 -.155E-03 -.130E-01   -.491E-06 -.432E-05 0.244E-05
   0.242E+01 0.189E+02 0.240E+02   -.242E+01 -.190E+02 -.240E+02   -.233E-02 0.103E+00 -.486E-01   -.140E-05 -.456E-05 0.202E-05
   0.226E+02 0.214E+02 0.423E+02   -.227E+02 -.216E+02 -.422E+02   0.771E-01 0.262E+00 -.607E-01   -.561E-05 -.282E-05 0.196E-05
   0.268E+02 -.343E+01 0.256E+02   -.271E+02 0.355E+01 -.256E+02   0.269E+00 -.109E+00 -.338E-01   -.808E-05 -.196E-05 0.512E-05
   0.914E+01 -.527E+01 0.136E+02   -.918E+01 0.530E+01 -.136E+02   0.422E-01 -.244E-01 -.121E-01   -.375E-05 -.425E-05 0.428E-05
   0.312E+01 -.364E+01 0.126E+02   -.314E+01 0.365E+01 -.126E+02   0.137E-01 -.899E-02 -.175E-01   -.108E-05 -.147E-05 0.113E-05
   -.593E+01 0.136E+02 0.161E+02   0.593E+01 -.137E+02 -.161E+02   -.114E-02 0.715E-01 -.520E-01   0.182E-05 -.233E-05 0.998E-06
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.315E-01 0.613E+00 0.294E+00   0.244E-05 -.471E-05 -.239E-05
   0.236E+02 -.136E+02 0.940E+02   -.243E+02 0.140E+02 -.961E+02   0.636E+00 -.367E+00 0.205E+01   -.442E-05 -.117E-06 -.528E-05
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.229E+00 -.178E+00 -.338E-01   -.462E-05 0.228E-06 0.747E-06
   0.119E+01 -.122E+02 0.162E+02   -.119E+01 0.123E+02 -.161E+02   0.280E-02 -.217E-01 -.479E-01   0.241E-06 0.136E-05 0.156E-05
   -.414E+01 0.192E+01 0.116E+02   0.414E+01 -.193E+01 -.116E+02   -.268E-03 0.997E-02 -.439E-01   0.203E-05 0.125E-05 0.227E-05
   -.193E+02 0.111E+02 0.217E+02   0.193E+02 -.112E+02 -.217E+02   -.506E-01 0.292E-01 -.433E-01   0.589E-05 0.363E-06 0.363E-05
   -.373E+02 -.785E+01 0.478E+02   0.378E+02 0.813E+01 -.481E+02   -.546E+00 -.279E+00 0.294E+00   0.861E-05 -.481E-06 0.417E-06
   -.718E+01 -.303E+02 0.423E+02   0.736E+01 0.305E+02 -.422E+02   -.188E+00 -.198E+00 -.607E-01   0.289E-05 0.173E-05 0.260E-06
   -.285E+01 -.876E+01 0.194E+02   0.286E+01 0.877E+01 -.193E+02   -.182E-01 -.115E-01 -.272E-01   0.732E-06 0.214E-06 0.324E-05
   0.139E+01 -.801E+00 0.134E+02   -.139E+01 0.803E+00 -.134E+02   0.124E-03 -.715E-04 -.179E-01   0.806E-07 0.209E-05 0.381E-05
   -.374E+01 0.263E+01 0.116E+02   0.374E+01 -.262E+01 -.116E+02   -.877E-02 -.475E-02 -.439E-01   0.180E-05 0.242E-05 0.656E-05
   -.148E+02 -.169E+01 0.161E+02   0.148E+02 0.172E+01 -.161E+02   -.625E-01 -.347E-01 -.520E-01   0.479E-05 -.192E-05 0.791E-05
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.905E-01 -.495E-01 -.486E-01   0.510E-05 -.182E-05 0.462E-05
   0.285E+01 0.876E+01 0.194E+02   -.286E+01 -.877E+01 -.193E+02   0.182E-01 0.115E-01 -.272E-01   -.732E-06 -.214E-06 0.324E-05
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.905E-01 0.495E-01 -.486E-01   -.510E-05 0.182E-05 0.462E-05
   0.148E+02 0.169E+01 0.161E+02   -.148E+02 -.172E+01 -.161E+02   0.625E-01 0.347E-01 -.520E-01   -.479E-05 0.192E-05 0.791E-05
   0.374E+01 -.262E+01 0.116E+02   -.374E+01 0.262E+01 -.116E+02   0.877E-02 0.475E-02 -.439E-01   -.180E-05 -.242E-05 0.656E-05
   -.139E+01 0.801E+00 0.134E+02   0.139E+01 -.803E+00 -.134E+02   -.124E-03 0.715E-04 -.179E-01   -.805E-07 -.209E-05 0.381E-05
   -.119E+01 0.122E+02 0.162E+02   0.119E+01 -.123E+02 -.161E+02   -.280E-02 0.217E-01 -.479E-01   -.241E-06 -.136E-05 0.156E-05
   0.718E+01 0.303E+02 0.423E+02   -.736E+01 -.305E+02 -.422E+02   0.188E+00 0.198E+00 -.607E-01   -.289E-05 -.173E-05 0.260E-06
   0.373E+02 0.785E+01 0.478E+02   -.378E+02 -.813E+01 -.481E+02   0.546E+00 0.279E+00 0.294E+00   -.861E-05 0.481E-06 0.417E-06
   0.193E+02 -.111E+02 0.217E+02   -.193E+02 0.112E+02 -.217E+02   0.506E-01 -.292E-01 -.433E-01   -.589E-05 -.363E-06 0.363E-05
   0.414E+01 -.192E+01 0.116E+02   -.414E+01 0.193E+01 -.116E+02   0.268E-03 -.997E-02 -.439E-01   -.203E-05 -.125E-05 0.227E-05
   -.312E+01 0.364E+01 0.126E+02   0.314E+01 -.365E+01 -.126E+02   -.137E-01 0.899E-02 -.175E-01   0.108E-05 0.147E-05 0.113E-05
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.229E+00 0.178E+00 -.338E-01   0.462E-05 -.228E-06 0.747E-06
   -.236E+02 0.136E+02 0.940E+02   0.243E+02 -.140E+02 -.961E+02   -.636E+00 0.367E+00 0.205E+01   0.442E-05 0.117E-06 -.528E-05
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.315E-01 -.613E+00 0.294E+00   -.244E-05 0.471E-05 -.239E-05
   0.593E+01 -.136E+02 0.161E+02   -.593E+01 0.137E+02 -.161E+02   0.114E-02 -.715E-01 -.520E-01   -.182E-05 0.233E-05 0.998E-06
   -.645E+00 -.393E+01 0.126E+02   0.646E+00 0.393E+01 -.126E+02   0.307E-02 0.155E-03 -.130E-01   0.491E-06 0.432E-05 0.244E-05
   -.914E+01 0.527E+01 0.136E+02   0.918E+01 -.530E+01 -.136E+02   -.422E-01 0.244E-01 -.121E-01   0.375E-05 0.425E-05 0.428E-05
   -.268E+02 0.343E+01 0.256E+02   0.271E+02 -.355E+01 -.256E+02   -.269E+00 0.109E+00 -.338E-01   0.808E-05 0.196E-05 0.512E-05
   -.226E+02 -.214E+02 0.423E+02   0.227E+02 0.216E+02 -.422E+02   -.771E-01 -.262E+00 -.607E-01   0.561E-05 0.282E-05 0.196E-05
   -.242E+01 -.189E+02 0.240E+02   0.242E+01 0.190E+02 -.240E+02   0.233E-02 -.103E+00 -.486E-01   0.140E-05 0.456E-05 0.202E-05
   0.206E+01 -.119E+01 0.163E+02   -.206E+01 0.119E+01 -.162E+02   0.327E-02 -.189E-02 -.242E-01   -.655E-06 0.336E-05 0.370E-05
   0.308E+01 0.252E+01 0.126E+02   -.308E+01 -.252E+01 -.126E+02   0.140E-02 -.273E-02 -.130E-01   -.909E-06 0.530E-05 0.572E-05
   -.471E+01 0.883E+00 0.126E+02   0.473E+01 -.892E+00 -.126E+02   -.146E-01 0.735E-02 -.175E-01   0.186E-05 0.242E-05 0.870E-05
   -.112E+02 -.510E+01 0.162E+02   0.112E+02 0.510E+01 -.161E+02   -.202E-01 -.844E-02 -.479E-01   0.365E-05 -.133E-05 0.651E-05
   -.616E+01 -.684E+01 0.194E+02   0.616E+01 0.686E+01 -.193E+02   -.844E-03 -.215E-01 -.272E-01   0.240E-05 0.106E-06 0.391E-05
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.289E-03 0.101E+02   0.104E-12 0.247E-12 0.114E-12   -.140E-15 0.278E-16 -.100E+02   -.287E-10 0.387E-10 0.102E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85211      6.05884     12.26471         0.000000      0.000000      0.019036
      1.07497      6.50752     13.52421         0.001551     -0.000895      0.008859
      2.62924      5.61016     13.52421        -0.001551      0.000895      0.008859
      0.00015     -0.00009      9.91082        -0.002290      0.001322      0.000103
     -1.23474      2.13683      9.90948        -0.000406      0.001549      0.000054
     -2.46994      4.27634      9.92946        -0.002698      0.002253     -0.000362
     -3.70363      6.41501      9.93717        -0.002031      0.001458     -0.000854
     -4.93735      8.55322      9.92774        -0.004139      0.002117     -0.000482
      2.46916     -0.00006      9.92774        -0.003903      0.002526     -0.000482
      1.23392      2.13662      9.91901        -0.003395      0.001396     -0.001213
     -0.00265      4.27071      9.93152        -0.003658      0.003435     -0.002355
     -1.23832      6.41562      9.95362        -0.000257      0.001292     -0.001110
     -2.46890      8.55357      9.93904        -0.001093      0.000631      0.000609
      4.93776      0.00062      9.93717        -0.002278      0.001030     -0.000854
      3.70409      2.13669      9.94047        -0.001510     -0.000558     -0.001267
      2.46985      4.26841      9.96807        -0.003476      0.000964     -0.002326
      1.22909      6.41854      9.97430        -0.004661      0.002691      0.001554
     -0.00209      8.55684      9.95362        -0.001248     -0.000423     -0.001110
      7.40675      0.00155      9.92946        -0.003301      0.001210     -0.000362
      6.17243      2.13877      9.93579        -0.002976      0.001749     -0.000531
      4.93890      4.27668      9.94852         0.000471     -0.000272     -0.000055
      3.71153      6.41908      9.96807        -0.002573      0.002529     -0.002326
      2.47330      8.55917      9.93152        -0.004804      0.001450     -0.002355
      9.87722      0.00159      9.90948        -0.001544     -0.000423      0.000054
      8.64160      2.13893      9.92067        -0.003155      0.001821      0.000302
      7.40715      4.27737      9.93579        -0.003003      0.001703     -0.000531
      6.17478      6.41605      9.94047        -0.000272      0.001587     -0.001267
      4.93975      8.55531      9.91901        -0.002906      0.002242     -0.001213
     -0.00103      1.42455      9.90948         0.001544      0.000423      0.000054
     -1.23554      3.56237      9.91901         0.002906     -0.002242     -0.001213
     -2.47057      5.70163      9.94047         0.000272     -0.001587     -0.001267
     -3.70294      7.84032      9.93579         0.003003     -0.001703     -0.000531
     -4.93739      9.97876      9.92067         0.003155     -0.001821      0.000302
      2.46945      1.42459      9.92946         0.003301     -0.001210     -0.000362
      1.23091      3.55851      9.93152         0.004804     -0.001450     -0.002355
     -0.00732      5.69860      9.96807         0.002573     -0.002529     -0.002326
     -1.23469      7.84100      9.94852        -0.000471      0.000272     -0.000055
     -2.46822      9.97891      9.93579         0.002976     -0.001749     -0.000531
      4.93843      1.42552      9.93717         0.002278     -0.001030     -0.000854
      3.70630      3.56084      9.95362         0.001248      0.000423     -0.001110
      2.47512      5.69914      9.97430         0.004661     -0.002691      0.001554
      1.23437      7.84927      9.96807         0.003476     -0.000964     -0.002326
      0.00012      9.98099      9.94047         0.001510      0.000558     -0.001267
      7.40703      1.42620      9.92774         0.003903     -0.002526     -0.000482
      6.17311      3.56411      9.93904         0.001093     -0.000631      0.000609
      4.94253      5.70206      9.95362         0.000257     -0.001292     -0.001110
      3.70686      7.84698      9.93152         0.003658     -0.003435     -0.002355
      2.47029      9.98106      9.91901         0.003395     -0.001396     -0.001213
      9.87604      1.42622      9.91082         0.002290     -0.001322      0.000103
      8.64156      3.56447      9.92774         0.004139     -0.002117     -0.000482
      7.40784      5.70267      9.93717         0.002031     -0.001458     -0.000854
      6.17415      7.84134      9.92946         0.002698     -0.002253     -0.000362
      4.93895      9.98086      9.90948         0.000406     -0.001549      0.000054
 -----------------------------------------------------------------------------------
    total drift:                               -0.001802      0.000289      0.015465


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.95: CPU time    1.95
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.34: CPU time    1.34
    ORTHCH:  VPU time  182.44: CPU time   91.57
     LOOP+:  VPU time 4639.63: CPU time 2379.82


----------------------------------------- Iteration   37(   1)  ---------------------------------------


    POTLOK:  VPU time    9.16: CPU time    9.10
    SETDIJ:  VPU time    0.34: CPU time    0.33
    EDDAV :  VPU time 1182.00: CPU time  613.52
 BZINTS: Fermi energy: -3.184720;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.56: CPU time   58.43
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1307.27: CPU time  681.58

 eigenvalue-minimisations  :  3184
 total energy-change (2. order) :-0.4717264E+03  ( 0.3073996E-08)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583397 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.14024E-05    rms(broyden)= 0.14024E-05
  rms(prec ) = 0.19413E-05
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34105.72065218
  -1/2 Hartree   DENC   =    -40996.19906500
  -V(xc)+E(xc)   XCENC  =       726.60483885
  PAW double counting   =      4094.27113988    -4132.61900018
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.94483692
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641758 eV

  energy without entropy =     -471.72641758  energy(sigma->0) =     -471.72641758


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   37(   2)  ---------------------------------------


    POTLOK:  VPU time    9.22: CPU time    9.22
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1193.82: CPU time  619.64
 BZINTS: Fermi energy: -3.184658;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1203.44: CPU time  629.23

 eigenvalue-minimisations  :  3216
 total energy-change (2. order) :-0.1744411E-08  ( 0.3078158E-08)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583397 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34105.72065218
  -1/2 Hartree   DENC   =    -40996.19879410
  -V(xc)+E(xc)   XCENC  =       726.60483605
  PAW double counting   =      4094.27116669    -4132.61902731
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.94510470
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641758 eV

  energy without entropy =     -471.72641758  energy(sigma->0) =     -471.72641758


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2180       2 -39.5363       3 -39.5363       4 -58.3139       5 -58.3178
       6 -58.3203       7 -58.3149       8 -58.3152       9 -58.3152      10 -58.3217
      11 -58.3878      12 -58.3518      13 -58.3232      14 -58.3149      15 -58.3247
      16 -58.5428      17 -58.7298      18 -58.3518      19 -58.3203      20 -58.3200
      21 -58.3579      22 -58.5428      23 -58.3878      24 -58.3178      25 -58.3231
      26 -58.3200      27 -58.3247      28 -58.3217      29 -58.3177      30 -58.3216
      31 -58.3246      32 -58.3199      33 -58.3229      34 -58.3202      35 -58.3877
      36 -58.5427      37 -58.3578      38 -58.3199      39 -58.3148      40 -58.3516
      41 -58.7297      42 -58.5427      43 -58.3246      44 -58.3151      45 -58.3230
      46 -58.3517      47 -58.3878      48 -58.3216      49 -58.3138      50 -58.3151
      51 -58.3148      52 -58.3202      53 -58.3177
 
 
 
 E-fermi :  -3.1847     XC(G=0):  -2.3413     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4276      1.00000
      2     -21.6044      1.00000
      3     -21.4827      1.00000
      4     -21.4736      1.00000
      5     -21.4420      1.00000
      6     -21.4412      1.00000
      7     -21.4311      1.00000
      8     -19.7085      1.00000
      9     -19.6536      1.00000
     10     -19.6303      1.00000
     11     -19.6193      1.00000
     12     -19.6140      1.00000
     13     -19.6130      1.00000
     14     -18.7906      1.00000
     15     -18.7555      1.00000
     16     -18.7357      1.00000
     17     -18.7262      1.00000
     18     -18.7190      1.00000
     19     -18.7137      1.00000
     20     -16.6354      1.00000
     21     -16.6096      1.00000
     22     -16.5852      1.00000
     23     -16.5818      1.00000
     24     -16.5548      1.00000
     25     -16.5531      1.00000
     26     -15.6154      1.00000
     27     -15.6027      1.00000
     28     -15.5994      1.00000
     29     -15.5653      1.00000
     30     -15.5636      1.00000
     31     -15.5627      1.00000
     32     -14.2604      1.00000
     33     -14.2511      1.00000
     34     -14.2411      1.00000
     35     -14.2361      1.00000
     36     -14.2229      1.00000
     37     -14.2200      1.00000
     38     -11.9061      1.00000
     39     -11.8791      1.00000
     40     -11.8680      1.00000
     41     -11.8658      1.00000
     42     -11.8451      1.00000
     43     -11.8449      1.00000
     44     -11.7716      1.00000
     45     -11.7689      1.00000
     46     -11.7362      1.00000
     47     -11.7295      1.00000
     48     -11.7253      1.00000
     49     -11.7229      1.00000
     50     -10.6766      1.00000
     51     -10.3891      1.00000
     52     -10.3840      1.00000
     53     -10.3771      1.00000
     54     -10.3693      1.00000
     55     -10.3560      1.00000
     56     -10.3539      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4060      1.00000
     60      -9.3630      1.00000
     61      -9.3624      1.00000
     62      -9.3546      1.00000
     63      -9.1426      1.00000
     64      -9.1220      1.00000
     65      -9.1213      1.00000
     66      -9.0849      1.00000
     67      -9.0720      1.00000
     68      -9.0714      1.00000
     69      -9.0712      1.00000
     70      -9.0643      1.00000
     71      -9.0642      1.00000
     72      -9.0385      1.00000
     73      -9.0290      1.00000
     74      -9.0258      1.00000
     75      -8.1301      1.00000
     76      -7.7458      1.00000
     77      -7.4688      1.00000
     78      -7.4667      1.00000
     79      -7.4539      1.00000
     80      -7.4342      1.00000
     81      -7.4247      1.00000
     82      -7.4066      1.00000
     83      -7.3130      1.00000
     84      -7.2713      1.00000
     85      -7.2576      1.00000
     86      -7.2491      1.00000
     87      -7.1508      1.00000
     88      -7.0494      1.00000
     89      -6.4464      1.00000
     90      -6.4161      1.00000
     91      -6.4005      1.00000
     92      -6.3638      1.00000
     93      -6.3531      1.00000
     94      -6.3408      1.00000
     95      -5.9585      1.00000
     96      -5.9582      1.00000
     97      -4.8064      1.00000
     98      -4.5444      1.00000
     99      -4.4815      1.00000
    100      -4.4744      1.00000
    101      -4.3823      1.00000
    102      -4.3817      1.00000
    103      -4.2678      1.00000
    104      -4.1873      1.00000
    105      -3.7393      1.00000
    106      -3.4776      1.00000
    107      -1.8619      0.00000
    108      -1.6706      0.00000
    109      -1.6241      0.00000
    110      -1.5913      0.00000
    111      -1.5759      0.00000
    112      -1.5749      0.00000
    113      -0.4289      0.00000
    114       0.1458      0.00000
    115       0.1920      0.00000
    116       0.2556      0.00000
    117       0.2675      0.00000
    118       0.2714      0.00000
    119       0.4771      0.00000
    120       0.5481      0.00000
    121       1.2482      0.00000
    122       1.2900      0.00000
    123       1.5384      0.00000
    124       1.7715      0.00000
    125       1.7742      0.00000
    126       1.7747      0.00000
    127       1.8000      0.00000
    128       1.8298      0.00000
    129       1.9586      0.00000
    130       1.9691      0.00000
    131       1.9745      0.00000
    132       1.9893      0.00000
    133       1.9964      0.00000
    134       2.0791      0.00000
    135       2.2509      0.00000
    136       2.3469      0.00000
    137       2.6113      0.00000
    138       2.6130      0.00000
    139       2.6402      0.00000
    140       2.7155      0.00000
    141       2.9361      0.00000
    142       3.0483      0.00000
    143       3.0632      0.00000
    144       3.0999      0.00000
    145       3.1010      0.00000
    146       3.1074      0.00000
    147       3.1083      0.00000
    148       3.2795      0.00000
    149       3.4524      0.00000
    150       3.5095      0.00000
    151       3.8267      0.00000
    152       3.9609      0.00000
    153       3.9641      0.00000
    154       3.9671      0.00000
    155       3.9748      0.00000
    156       4.0004      0.00000
    157       4.1890      0.00000
    158       4.2626      0.00000
    159       4.2756      0.00000
    160       4.2840      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8318      1.00000
      3     -21.6395      1.00000
      4     -21.6116      1.00000
      5     -21.2759      1.00000
      6     -21.2365      1.00000
      7     -21.0581      1.00000
      8     -20.1688      1.00000
      9     -20.1305      1.00000
     10     -19.6096      1.00000
     11     -19.5986      1.00000
     12     -19.4182      1.00000
     13     -19.0906      1.00000
     14     -19.0609      1.00000
     15     -19.0498      1.00000
     16     -19.0424      1.00000
     17     -18.3615      1.00000
     18     -18.3531      1.00000
     19     -18.0198      1.00000
     20     -17.0698      1.00000
     21     -17.0311      1.00000
     22     -16.9445      1.00000
     23     -16.9406      1.00000
     24     -16.4685      1.00000
     25     -16.4638      1.00000
     26     -15.6149      1.00000
     27     -15.6081      1.00000
     28     -15.2533      1.00000
     29     -15.2442      1.00000
     30     -15.1854      1.00000
     31     -15.0986      1.00000
     32     -15.0717      1.00000
     33     -14.6992      1.00000
     34     -14.6972      1.00000
     35     -13.7270      1.00000
     36     -13.7245      1.00000
     37     -13.2362      1.00000
     38     -12.6146      1.00000
     39     -12.5844      1.00000
     40     -12.4549      1.00000
     41     -12.4513      1.00000
     42     -12.1097      1.00000
     43     -12.1051      1.00000
     44     -11.7179      1.00000
     45     -11.6870      1.00000
     46     -11.2355      1.00000
     47     -11.2262      1.00000
     48     -11.0182      1.00000
     49     -11.0102      1.00000
     50     -10.9272      1.00000
     51     -10.9058      1.00000
     52     -10.6317      1.00000
     53     -10.1554      1.00000
     54     -10.1513      1.00000
     55     -10.0921      1.00000
     56      -9.9990      1.00000
     57      -9.7033      1.00000
     58      -9.6953      1.00000
     59      -9.6565      1.00000
     60      -9.5922      1.00000
     61      -9.5771      1.00000
     62      -9.5591      1.00000
     63      -9.3074      1.00000
     64      -9.3036      1.00000
     65      -9.2746      1.00000
     66      -9.2370      1.00000
     67      -9.1373      1.00000
     68      -9.1154      1.00000
     69      -9.1117      1.00000
     70      -8.9402      1.00000
     71      -8.8725      1.00000
     72      -8.6046      1.00000
     73      -8.5911      1.00000
     74      -8.2368      1.00000
     75      -8.1006      1.00000
     76      -7.9135      1.00000
     77      -7.8641      1.00000
     78      -7.7719      1.00000
     79      -7.7570      1.00000
     80      -7.6923      1.00000
     81      -7.5607      1.00000
     82      -7.3390      1.00000
     83      -7.3229      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0125      1.00000
     88      -6.7047      1.00000
     89      -6.6784      1.00000
     90      -6.6413      1.00000
     91      -6.5979      1.00000
     92      -6.1159      1.00000
     93      -6.0624      1.00000
     94      -6.0313      1.00000
     95      -6.0116      1.00000
     96      -5.7835      1.00000
     97      -4.9745      1.00000
     98      -4.8322      1.00000
     99      -4.7471      1.00000
    100      -4.6795      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1720      1.00000
    104      -4.1280      1.00000
    105      -3.7296      1.00000
    106      -3.4878      1.00000
    107      -1.8704      0.00000
    108      -1.8089      0.00000
    109      -1.5244      0.00000
    110      -1.3776      0.00000
    111      -1.3214      0.00000
    112      -1.2880      0.00000
    113      -0.7199      0.00000
    114      -0.3760      0.00000
    115      -0.2499      0.00000
    116       0.0369      0.00000
    117       0.5559      0.00000
    118       0.6985      0.00000
    119       0.7464      0.00000
    120       1.0480      0.00000
    121       1.1000      0.00000
    122       1.1498      0.00000
    123       1.2274      0.00000
    124       1.3779      0.00000
    125       1.5242      0.00000
    126       1.5841      0.00000
    127       1.7156      0.00000
    128       1.8152      0.00000
    129       1.8580      0.00000
    130       1.8818      0.00000
    131       2.0967      0.00000
    132       2.1875      0.00000
    133       2.2419      0.00000
    134       2.3075      0.00000
    135       2.5148      0.00000
    136       2.5903      0.00000
    137       2.6428      0.00000
    138       2.7804      0.00000
    139       2.7980      0.00000
    140       2.8272      0.00000
    141       2.8613      0.00000
    142       2.9022      0.00000
    143       2.9440      0.00000
    144       3.0827      0.00000
    145       3.1549      0.00000
    146       3.3197      0.00000
    147       3.3855      0.00000
    148       3.4311      0.00000
    149       3.4705      0.00000
    150       3.6211      0.00000
    151       3.6480      0.00000
    152       3.6717      0.00000
    153       3.7162      0.00000
    154       3.9136      0.00000
    155       3.9624      0.00000
    156       4.0181      0.00000
    157       4.0687      0.00000
    158       4.2415      0.00000
    159       4.2540      0.00000
    160       4.2772      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2849      1.00000
      2     -22.0793      1.00000
      3     -21.7179      1.00000
      4     -21.6861      1.00000
      5     -20.9806      1.00000
      6     -20.9400      1.00000
      7     -20.6130      1.00000
      8     -20.5763      1.00000
      9     -20.5701      1.00000
     10     -20.0337      1.00000
     11     -19.5044      1.00000
     12     -19.4927      1.00000
     13     -19.3078      1.00000
     14     -19.3026      1.00000
     15     -18.4486      1.00000
     16     -18.4119      1.00000
     17     -17.9231      1.00000
     18     -17.9137      1.00000
     19     -17.7624      1.00000
     20     -17.7266      1.00000
     21     -17.4366      1.00000
     22     -17.4292      1.00000
     23     -17.3416      1.00000
     24     -16.4635      1.00000
     25     -16.4624      1.00000
     26     -15.9678      1.00000
     27     -15.4151      1.00000
     28     -15.4096      1.00000
     29     -15.0973      1.00000
     30     -15.0939      1.00000
     31     -14.8555      1.00000
     32     -14.8479      1.00000
     33     -14.2908      1.00000
     34     -14.2580      1.00000
     35     -13.4371      1.00000
     36     -13.4046      1.00000
     37     -13.1779      1.00000
     38     -13.1746      1.00000
     39     -12.9826      1.00000
     40     -12.9777      1.00000
     41     -12.6134      1.00000
     42     -12.6103      1.00000
     43     -12.1981      1.00000
     44     -11.5771      1.00000
     45     -11.5434      1.00000
     46     -11.3112      1.00000
     47     -11.2884      1.00000
     48     -11.1423      1.00000
     49     -10.6768      1.00000
     50     -10.6607      1.00000
     51     -10.5537      1.00000
     52     -10.3238      1.00000
     53     -10.3181      1.00000
     54     -10.1700      1.00000
     55     -10.1156      1.00000
     56     -10.1130      1.00000
     57      -9.7988      1.00000
     58      -9.7652      1.00000
     59      -9.7524      1.00000
     60      -9.7004      1.00000
     61      -9.6973      1.00000
     62      -9.6627      1.00000
     63      -9.3546      1.00000
     64      -9.3518      1.00000
     65      -9.3159      1.00000
     66      -9.0415      1.00000
     67      -8.9624      1.00000
     68      -8.9499      1.00000
     69      -8.8000      1.00000
     70      -8.5952      1.00000
     71      -8.5581      1.00000
     72      -8.3988      1.00000
     73      -8.3653      1.00000
     74      -8.3247      1.00000
     75      -8.3073      1.00000
     76      -8.2590      1.00000
     77      -8.2574      1.00000
     78      -8.2366      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3866      1.00000
     83      -7.3495      1.00000
     84      -7.2310      1.00000
     85      -7.0967      1.00000
     86      -7.0391      1.00000
     87      -6.9342      1.00000
     88      -6.8483      1.00000
     89      -6.6127      1.00000
     90      -6.5588      1.00000
     91      -6.2698      1.00000
     92      -6.0440      1.00000
     93      -5.9518      1.00000
     94      -5.6629      1.00000
     95      -5.6228      1.00000
     96      -5.4633      1.00000
     97      -5.3201      1.00000
     98      -5.2790      1.00000
     99      -5.2140      1.00000
    100      -5.1940      1.00000
    101      -4.5085      1.00000
    102      -4.2077      1.00000
    103      -4.0593      1.00000
    104      -3.9892      1.00000
    105      -3.6944      1.00000
    106      -3.4980      1.00000
    107      -1.9462      0.00000
    108      -1.8963      0.00000
    109      -1.3390      0.00000
    110      -1.0849      0.00000
    111      -1.0582      0.00000
    112      -0.8003      0.00000
    113      -0.6776      0.00000
    114      -0.6468      0.00000
    115      -0.6072      0.00000
    116      -0.1080      0.00000
    117       0.2155      0.00000
    118       0.3291      0.00000
    119       0.6943      0.00000
    120       0.8877      0.00000
    121       1.1273      0.00000
    122       1.1992      0.00000
    123       1.3265      0.00000
    124       1.4212      0.00000
    125       1.5545      0.00000
    126       1.5764      0.00000
    127       1.6804      0.00000
    128       1.8085      0.00000
    129       1.8845      0.00000
    130       2.0565      0.00000
    131       2.1249      0.00000
    132       2.3277      0.00000
    133       2.3596      0.00000
    134       2.3964      0.00000
    135       2.5475      0.00000
    136       2.6316      0.00000
    137       2.7302      0.00000
    138       2.7595      0.00000
    139       2.8290      0.00000
    140       2.8840      0.00000
    141       3.0493      0.00000
    142       3.0595      0.00000
    143       3.1650      0.00000
    144       3.2656      0.00000
    145       3.3617      0.00000
    146       3.4163      0.00000
    147       3.4346      0.00000
    148       3.5681      0.00000
    149       3.5858      0.00000
    150       3.6031      0.00000
    151       3.6606      0.00000
    152       3.6760      0.00000
    153       3.7820      0.00000
    154       3.8028      0.00000
    155       3.8096      0.00000
    156       3.8952      0.00000
    157       3.9230      0.00000
    158       3.9953      0.00000
    159       4.2160      0.00000
    160       4.2268      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.9642      1.00000
      3     -21.8950      1.00000
      4     -21.3822      1.00000
      5     -21.3530      1.00000
      6     -20.8409      1.00000
      7     -20.7756      1.00000
      8     -20.6253      1.00000
      9     -20.0788      1.00000
     10     -20.0731      1.00000
     11     -19.7179      1.00000
     12     -19.6934      1.00000
     13     -18.9975      1.00000
     14     -18.9916      1.00000
     15     -18.6416      1.00000
     16     -18.6257      1.00000
     17     -18.4630      1.00000
     18     -17.6761      1.00000
     19     -17.6257      1.00000
     20     -17.6228      1.00000
     21     -17.5810      1.00000
     22     -17.1273      1.00000
     23     -17.1058      1.00000
     24     -16.9627      1.00000
     25     -16.0023      1.00000
     26     -15.9305      1.00000
     27     -15.5865      1.00000
     28     -15.5862      1.00000
     29     -15.2876      1.00000
     30     -14.8648      1.00000
     31     -14.8375      1.00000
     32     -14.5795      1.00000
     33     -14.5376      1.00000
     34     -14.1694      1.00000
     35     -14.1558      1.00000
     36     -13.1485      1.00000
     37     -13.1013      1.00000
     38     -13.0302      1.00000
     39     -13.0200      1.00000
     40     -12.7095      1.00000
     41     -12.7053      1.00000
     42     -12.3423      1.00000
     43     -12.3110      1.00000
     44     -11.6365      1.00000
     45     -11.6229      1.00000
     46     -11.5727      1.00000
     47     -10.9501      1.00000
     48     -10.9170      1.00000
     49     -10.6329      1.00000
     50     -10.6248      1.00000
     51     -10.5479      1.00000
     52     -10.5002      1.00000
     53     -10.4999      1.00000
     54     -10.4399      1.00000
     55     -10.3607      1.00000
     56     -10.1001      1.00000
     57      -9.9042      1.00000
     58      -9.6088      1.00000
     59      -9.5565      1.00000
     60      -9.4530      1.00000
     61      -9.4126      1.00000
     62      -9.4057      1.00000
     63      -9.3776      1.00000
     64      -9.3772      1.00000
     65      -9.2880      1.00000
     66      -9.1691      1.00000
     67      -9.1435      1.00000
     68      -9.1152      1.00000
     69      -8.8652      1.00000
     70      -8.8576      1.00000
     71      -8.8157      1.00000
     72      -8.5975      1.00000
     73      -8.4805      1.00000
     74      -8.1991      1.00000
     75      -8.1637      1.00000
     76      -8.0093      1.00000
     77      -7.9640      1.00000
     78      -7.8507      1.00000
     79      -7.8406      1.00000
     80      -7.7044      1.00000
     81      -7.6971      1.00000
     82      -7.6224      1.00000
     83      -7.4491      1.00000
     84      -7.3009      1.00000
     85      -7.2533      1.00000
     86      -6.9065      1.00000
     87      -6.8928      1.00000
     88      -6.5890      1.00000
     89      -6.5515      1.00000
     90      -6.4063      1.00000
     91      -6.2537      1.00000
     92      -6.2330      1.00000
     93      -6.2056      1.00000
     94      -6.0232      1.00000
     95      -5.5502      1.00000
     96      -5.4891      1.00000
     97      -5.3505      1.00000
     98      -5.2198      1.00000
     99      -4.9795      1.00000
    100      -4.7327      1.00000
    101      -4.6781      1.00000
    102      -4.3875      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5464      1.00000
    106      -3.5100      1.00000
    107      -2.2563      0.00000
    108      -1.4566      0.00000
    109      -1.3713      0.00000
    110      -1.2418      0.00000
    111      -1.0979      0.00000
    112      -0.9450      0.00000
    113      -0.8637      0.00000
    114      -0.8033      0.00000
    115      -0.1393      0.00000
    116       0.1111      0.00000
    117       0.2407      0.00000
    118       0.3776      0.00000
    119       0.6518      0.00000
    120       0.8359      0.00000
    121       0.9366      0.00000
    122       1.0639      0.00000
    123       1.2336      0.00000
    124       1.4483      0.00000
    125       1.5515      0.00000
    126       1.7664      0.00000
    127       1.7936      0.00000
    128       1.8750      0.00000
    129       1.9703      0.00000
    130       2.0450      0.00000
    131       2.1770      0.00000
    132       2.1945      0.00000
    133       2.4112      0.00000
    134       2.4620      0.00000
    135       2.5309      0.00000
    136       2.6043      0.00000
    137       2.6380      0.00000
    138       2.6960      0.00000
    139       2.7811      0.00000
    140       2.8357      0.00000
    141       2.9502      0.00000
    142       3.0859      0.00000
    143       3.2026      0.00000
    144       3.2112      0.00000
    145       3.2595      0.00000
    146       3.3272      0.00000
    147       3.3349      0.00000
    148       3.4683      0.00000
    149       3.5006      0.00000
    150       3.6986      0.00000
    151       3.7115      0.00000
    152       3.7274      0.00000
    153       3.8583      0.00000
    154       3.9142      0.00000
    155       3.9492      0.00000
    156       3.9813      0.00000
    157       4.0169      0.00000
    158       4.0344      0.00000
    159       4.0517      0.00000
    160       4.0717      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2119      1.00000
      2     -22.1189      1.00000
      3     -21.9582      1.00000
      4     -21.4057      1.00000
      5     -21.0511      1.00000
      6     -21.0151      1.00000
      7     -20.5019      1.00000
      8     -20.4625      1.00000
      9     -20.2961      1.00000
     10     -20.2768      1.00000
     11     -19.9587      1.00000
     12     -19.8930      1.00000
     13     -18.8836      1.00000
     14     -18.8148      1.00000
     15     -18.3538      1.00000
     16     -18.3076      1.00000
     17     -18.1540      1.00000
     18     -18.1368      1.00000
     19     -17.8277      1.00000
     20     -17.7901      1.00000
     21     -17.2525      1.00000
     22     -17.2425      1.00000
     23     -17.1655      1.00000
     24     -17.1337      1.00000
     25     -16.1110      1.00000
     26     -15.8865      1.00000
     27     -15.8712      1.00000
     28     -15.8350      1.00000
     29     -15.2371      1.00000
     30     -14.5559      1.00000
     31     -14.5280      1.00000
     32     -14.2808      1.00000
     33     -13.9645      1.00000
     34     -13.9570      1.00000
     35     -13.8209      1.00000
     36     -13.8051      1.00000
     37     -13.6154      1.00000
     38     -13.5716      1.00000
     39     -13.3710      1.00000
     40     -12.6354      1.00000
     41     -12.1816      1.00000
     42     -12.1336      1.00000
     43     -12.0730      1.00000
     44     -12.0207      1.00000
     45     -11.6701      1.00000
     46     -11.6566      1.00000
     47     -11.1395      1.00000
     48     -11.1189      1.00000
     49     -10.7954      1.00000
     50     -10.7319      1.00000
     51     -10.5295      1.00000
     52     -10.2091      1.00000
     53     -10.2064      1.00000
     54     -10.1654      1.00000
     55     -10.0184      1.00000
     56     -10.0049      1.00000
     57      -9.9913      1.00000
     58      -9.8019      1.00000
     59      -9.7980      1.00000
     60      -9.7627      1.00000
     61      -9.7579      1.00000
     62      -9.4552      1.00000
     63      -9.4180      1.00000
     64      -9.0810      1.00000
     65      -9.0729      1.00000
     66      -9.0413      1.00000
     67      -8.9558      1.00000
     68      -8.8779      1.00000
     69      -8.7126      1.00000
     70      -8.7003      1.00000
     71      -8.5664      1.00000
     72      -8.5435      1.00000
     73      -8.4998      1.00000
     74      -8.4630      1.00000
     75      -8.4538      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0438      1.00000
     79      -7.9160      1.00000
     80      -7.8635      1.00000
     81      -7.6152      1.00000
     82      -7.5489      1.00000
     83      -7.4902      1.00000
     84      -7.2681      1.00000
     85      -6.9955      1.00000
     86      -6.9233      1.00000
     87      -6.8823      1.00000
     88      -6.5327      1.00000
     89      -6.4874      1.00000
     90      -6.4615      1.00000
     91      -6.4105      1.00000
     92      -5.9841      1.00000
     93      -5.8976      1.00000
     94      -5.7847      1.00000
     95      -5.7598      1.00000
     96      -5.4323      1.00000
     97      -5.3294      1.00000
     98      -5.2304      1.00000
     99      -5.2179      1.00000
    100      -5.1885      1.00000
    101      -4.6922      1.00000
    102      -4.4215      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5292      1.00000
    106      -3.2742      1.00000
    107      -2.5312      0.00000
    108      -1.4581      0.00000
    109      -1.2667      0.00000
    110      -1.2029      0.00000
    111      -1.1725      0.00000
    112      -0.7197      0.00000
    113      -0.5035      0.00000
    114      -0.4119      0.00000
    115      -0.3395      0.00000
    116      -0.1459      0.00000
    117      -0.0028      0.00000
    118       0.1939      0.00000
    119       0.5613      0.00000
    120       0.6125      0.00000
    121       0.7964      0.00000
    122       0.9071      0.00000
    123       1.1327      0.00000
    124       1.4942      0.00000
    125       1.6352      0.00000
    126       1.8548      0.00000
    127       1.9279      0.00000
    128       2.1063      0.00000
    129       2.1165      0.00000
    130       2.1534      0.00000
    131       2.1885      0.00000
    132       2.2799      0.00000
    133       2.3410      0.00000
    134       2.4690      0.00000
    135       2.5816      0.00000
    136       2.6588      0.00000
    137       2.8551      0.00000
    138       2.8717      0.00000
    139       2.8941      0.00000
    140       3.0220      0.00000
    141       3.0287      0.00000
    142       3.1410      0.00000
    143       3.1838      0.00000
    144       3.2359      0.00000
    145       3.2759      0.00000
    146       3.2848      0.00000
    147       3.3007      0.00000
    148       3.3471      0.00000
    149       3.4242      0.00000
    150       3.4456      0.00000
    151       3.5542      0.00000
    152       3.6243      0.00000
    153       3.7096      0.00000
    154       3.7334      0.00000
    155       3.7736      0.00000
    156       3.8950      0.00000
    157       3.9435      0.00000
    158       4.0073      0.00000
    159       4.1329      0.00000
    160       4.2256      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3187      1.00000
      2     -21.9657      1.00000
      3     -21.8935      1.00000
      4     -21.3859      1.00000
      5     -21.3495      1.00000
      6     -20.8407      1.00000
      7     -20.7743      1.00000
      8     -20.6262      1.00000
      9     -20.0907      1.00000
     10     -20.0619      1.00000
     11     -19.7195      1.00000
     12     -19.6907      1.00000
     13     -19.0108      1.00000
     14     -18.9797      1.00000
     15     -18.6507      1.00000
     16     -18.6180      1.00000
     17     -18.4616      1.00000
     18     -17.6613      1.00000
     19     -17.6476      1.00000
     20     -17.6114      1.00000
     21     -17.5789      1.00000
     22     -17.1380      1.00000
     23     -17.0981      1.00000
     24     -16.9664      1.00000
     25     -16.0087      1.00000
     26     -15.9239      1.00000
     27     -15.5998      1.00000
     28     -15.5763      1.00000
     29     -15.2804      1.00000
     30     -14.8775      1.00000
     31     -14.8304      1.00000
     32     -14.5753      1.00000
     33     -14.5375      1.00000
     34     -14.1644      1.00000
     35     -14.1604      1.00000
     36     -13.1627      1.00000
     37     -13.0969      1.00000
     38     -13.0238      1.00000
     39     -13.0190      1.00000
     40     -12.7185      1.00000
     41     -12.6952      1.00000
     42     -12.3414      1.00000
     43     -12.3142      1.00000
     44     -11.6319      1.00000
     45     -11.6227      1.00000
     46     -11.5707      1.00000
     47     -10.9412      1.00000
     48     -10.9234      1.00000
     49     -10.6695      1.00000
     50     -10.5902      1.00000
     51     -10.5736      1.00000
     52     -10.5011      1.00000
     53     -10.4897      1.00000
     54     -10.4394      1.00000
     55     -10.3568      1.00000
     56     -10.1045      1.00000
     57      -9.8985      1.00000
     58      -9.6092      1.00000
     59      -9.5520      1.00000
     60      -9.4548      1.00000
     61      -9.4181      1.00000
     62      -9.4099      1.00000
     63      -9.3799      1.00000
     64      -9.3728      1.00000
     65      -9.2681      1.00000
     66      -9.1653      1.00000
     67      -9.1413      1.00000
     68      -9.1159      1.00000
     69      -8.8663      1.00000
     70      -8.8603      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1933      1.00000
     75      -8.1706      1.00000
     76      -8.0762      1.00000
     77      -7.8580      1.00000
     78      -7.8372      1.00000
     79      -7.8242      1.00000
     80      -7.7106      1.00000
     81      -7.6962      1.00000
     82      -7.5978      1.00000
     83      -7.5301      1.00000
     84      -7.3507      1.00000
     85      -7.1680      1.00000
     86      -6.9052      1.00000
     87      -6.8959      1.00000
     88      -6.5928      1.00000
     89      -6.5516      1.00000
     90      -6.4062      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2010      1.00000
     94      -6.0042      1.00000
     95      -5.5320      1.00000
     96      -5.4654      1.00000
     97      -5.3143      1.00000
     98      -5.2097      1.00000
     99      -5.0470      1.00000
    100      -4.7236      1.00000
    101      -4.6717      1.00000
    102      -4.4239      1.00000
    103      -4.1948      1.00000
    104      -3.8428      1.00000
    105      -3.6345      1.00000
    106      -3.4163      1.00000
    107      -2.2925      0.00000
    108      -1.5094      0.00000
    109      -1.2700      0.00000
    110      -1.2623      0.00000
    111      -1.0343      0.00000
    112      -0.9778      0.00000
    113      -0.8681      0.00000
    114      -0.7998      0.00000
    115      -0.2616      0.00000
    116       0.2044      0.00000
    117       0.2395      0.00000
    118       0.3600      0.00000
    119       0.6910      0.00000
    120       0.8942      0.00000
    121       0.9239      0.00000
    122       1.0406      0.00000
    123       1.1671      0.00000
    124       1.5100      0.00000
    125       1.5603      0.00000
    126       1.7115      0.00000
    127       1.7789      0.00000
    128       1.8343      0.00000
    129       1.9639      0.00000
    130       1.9859      0.00000
    131       2.1852      0.00000
    132       2.2630      0.00000
    133       2.4163      0.00000
    134       2.4680      0.00000
    135       2.5288      0.00000
    136       2.6008      0.00000
    137       2.6188      0.00000
    138       2.6995      0.00000
    139       2.7607      0.00000
    140       2.8650      0.00000
    141       3.0366      0.00000
    142       3.0839      0.00000
    143       3.1906      0.00000
    144       3.2478      0.00000
    145       3.2613      0.00000
    146       3.2997      0.00000
    147       3.3598      0.00000
    148       3.4534      0.00000
    149       3.5214      0.00000
    150       3.6922      0.00000
    151       3.7173      0.00000
    152       3.7489      0.00000
    153       3.8315      0.00000
    154       3.8925      0.00000
    155       3.9352      0.00000
    156       3.9803      0.00000
    157       4.0100      0.00000
    158       4.0435      0.00000
    159       4.0493      0.00000
    160       4.0853      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8321      1.00000
      3     -21.6427      1.00000
      4     -21.6077      1.00000
      5     -21.2800      1.00000
      6     -21.2330      1.00000
      7     -21.0577      1.00000
      8     -20.1726      1.00000
      9     -20.1264      1.00000
     10     -19.6179      1.00000
     11     -19.5917      1.00000
     12     -19.4167      1.00000
     13     -19.0956      1.00000
     14     -19.0569      1.00000
     15     -19.0525      1.00000
     16     -19.0398      1.00000
     17     -18.3676      1.00000
     18     -18.3479      1.00000
     19     -18.0176      1.00000
     20     -17.0731      1.00000
     21     -17.0243      1.00000
     22     -16.9503      1.00000
     23     -16.9365      1.00000
     24     -16.4753      1.00000
     25     -16.4634      1.00000
     26     -15.6101      1.00000
     27     -15.6096      1.00000
     28     -15.2505      1.00000
     29     -15.2384      1.00000
     30     -15.1923      1.00000
     31     -15.1022      1.00000
     32     -15.0692      1.00000
     33     -14.6988      1.00000
     34     -14.6979      1.00000
     35     -13.7254      1.00000
     36     -13.7253      1.00000
     37     -13.2359      1.00000
     38     -12.6247      1.00000
     39     -12.5806      1.00000
     40     -12.4555      1.00000
     41     -12.4501      1.00000
     42     -12.1053      1.00000
     43     -12.1004      1.00000
     44     -11.7219      1.00000
     45     -11.6833      1.00000
     46     -11.2456      1.00000
     47     -11.2250      1.00000
     48     -11.0182      1.00000
     49     -11.0065      1.00000
     50     -10.9281      1.00000
     51     -10.8994      1.00000
     52     -10.6377      1.00000
     53     -10.1729      1.00000
     54     -10.1500      1.00000
     55     -10.0852      1.00000
     56      -9.9927      1.00000
     57      -9.6966      1.00000
     58      -9.6901      1.00000
     59      -9.6710      1.00000
     60      -9.5915      1.00000
     61      -9.5675      1.00000
     62      -9.5543      1.00000
     63      -9.3132      1.00000
     64      -9.3006      1.00000
     65      -9.2837      1.00000
     66      -9.2431      1.00000
     67      -9.1227      1.00000
     68      -9.1130      1.00000
     69      -9.1113      1.00000
     70      -8.9401      1.00000
     71      -8.8753      1.00000
     72      -8.6049      1.00000
     73      -8.5862      1.00000
     74      -8.2712      1.00000
     75      -8.1016      1.00000
     76      -7.8676      1.00000
     77      -7.8440      1.00000
     78      -7.7908      1.00000
     79      -7.7650      1.00000
     80      -7.7560      1.00000
     81      -7.4473      1.00000
     82      -7.3350      1.00000
     83      -7.3235      1.00000
     84      -7.2664      1.00000
     85      -7.1628      1.00000
     86      -7.0148      1.00000
     87      -6.9867      1.00000
     88      -6.7179      1.00000
     89      -6.6908      1.00000
     90      -6.6319      1.00000
     91      -6.5908      1.00000
     92      -6.1179      1.00000
     93      -6.0590      1.00000
     94      -6.0448      1.00000
     95      -6.0286      1.00000
     96      -5.7481      1.00000
     97      -4.9748      1.00000
     98      -4.8397      1.00000
     99      -4.7091      1.00000
    100      -4.6735      1.00000
    101      -4.4837      1.00000
    102      -4.3523      1.00000
    103      -4.1119      1.00000
    104      -4.0556      1.00000
    105      -3.7550      1.00000
    106      -3.4654      1.00000
    107      -1.9506      0.00000
    108      -1.7711      0.00000
    109      -1.4798      0.00000
    110      -1.3555      0.00000
    111      -1.3359      0.00000
    112      -1.2926      0.00000
    113      -0.6785      0.00000
    114      -0.4719      0.00000
    115      -0.2355      0.00000
    116       0.0516      0.00000
    117       0.5877      0.00000
    118       0.6924      0.00000
    119       0.7701      0.00000
    120       1.0228      0.00000
    121       1.0970      0.00000
    122       1.1767      0.00000
    123       1.2501      0.00000
    124       1.3349      0.00000
    125       1.4338      0.00000
    126       1.6006      0.00000
    127       1.7643      0.00000
    128       1.8429      0.00000
    129       1.8602      0.00000
    130       1.8877      0.00000
    131       2.0459      0.00000
    132       2.2178      0.00000
    133       2.2331      0.00000
    134       2.2870      0.00000
    135       2.4811      0.00000
    136       2.6202      0.00000
    137       2.6436      0.00000
    138       2.7538      0.00000
    139       2.7978      0.00000
    140       2.8363      0.00000
    141       2.8484      0.00000
    142       2.8729      0.00000
    143       2.9485      0.00000
    144       3.0867      0.00000
    145       3.3165      0.00000
    146       3.3560      0.00000
    147       3.4082      0.00000
    148       3.4210      0.00000
    149       3.4263      0.00000
    150       3.6056      0.00000
    151       3.6525      0.00000
    152       3.6792      0.00000
    153       3.7323      0.00000
    154       3.8969      0.00000
    155       3.9263      0.00000
    156       3.9578      0.00000
    157       4.1082      0.00000
    158       4.2076      0.00000
    159       4.2596      0.00000
    160       4.2851      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2110      1.00000
      2     -22.1203      1.00000
      3     -21.9579      1.00000
      4     -21.4058      1.00000
      5     -21.0472      1.00000
      6     -21.0189      1.00000
      7     -20.4971      1.00000
      8     -20.4672      1.00000
      9     -20.2873      1.00000
     10     -20.2853      1.00000
     11     -19.9576      1.00000
     12     -19.8945      1.00000
     13     -18.8842      1.00000
     14     -18.8166      1.00000
     15     -18.3386      1.00000
     16     -18.3195      1.00000
     17     -18.1499      1.00000
     18     -18.1424      1.00000
     19     -17.8166      1.00000
     20     -17.7986      1.00000
     21     -17.2587      1.00000
     22     -17.2391      1.00000
     23     -17.1608      1.00000
     24     -17.1360      1.00000
     25     -16.1175      1.00000
     26     -15.8812      1.00000
     27     -15.8701      1.00000
     28     -15.8409      1.00000
     29     -15.2314      1.00000
     30     -14.5513      1.00000
     31     -14.5330      1.00000
     32     -14.2761      1.00000
     33     -13.9756      1.00000
     34     -13.9519      1.00000
     35     -13.8253      1.00000
     36     -13.8030      1.00000
     37     -13.6044      1.00000
     38     -13.5792      1.00000
     39     -13.3712      1.00000
     40     -12.6396      1.00000
     41     -12.1691      1.00000
     42     -12.1428      1.00000
     43     -12.0685      1.00000
     44     -12.0217      1.00000
     45     -11.6655      1.00000
     46     -11.6608      1.00000
     47     -11.1369      1.00000
     48     -11.1258      1.00000
     49     -10.7906      1.00000
     50     -10.7344      1.00000
     51     -10.5361      1.00000
     52     -10.2090      1.00000
     53     -10.2028      1.00000
     54     -10.1711      1.00000
     55     -10.0233      1.00000
     56      -9.9948      1.00000
     57      -9.9907      1.00000
     58      -9.8055      1.00000
     59      -9.7965      1.00000
     60      -9.7649      1.00000
     61      -9.7570      1.00000
     62      -9.4545      1.00000
     63      -9.4179      1.00000
     64      -9.0852      1.00000
     65      -9.0463      1.00000
     66      -9.0260      1.00000
     67      -8.9698      1.00000
     68      -8.8982      1.00000
     69      -8.7086      1.00000
     70      -8.6994      1.00000
     71      -8.5600      1.00000
     72      -8.5493      1.00000
     73      -8.4782      1.00000
     74      -8.4599      1.00000
     75      -8.4571      1.00000
     76      -8.3087      1.00000
     77      -8.0955      1.00000
     78      -8.0896      1.00000
     79      -7.9269      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5369      1.00000
     83      -7.4438      1.00000
     84      -7.3142      1.00000
     85      -6.9942      1.00000
     86      -6.9195      1.00000
     87      -6.8825      1.00000
     88      -6.5277      1.00000
     89      -6.5150      1.00000
     90      -6.4809      1.00000
     91      -6.4208      1.00000
     92      -5.9273      1.00000
     93      -5.9054      1.00000
     94      -5.7890      1.00000
     95      -5.7751      1.00000
     96      -5.3695      1.00000
     97      -5.3633      1.00000
     98      -5.2205      1.00000
     99      -5.2155      1.00000
    100      -5.1989      1.00000
    101      -4.7204      1.00000
    102      -4.4424      1.00000
    103      -4.1909      1.00000
    104      -3.8204      1.00000
    105      -3.5655      1.00000
    106      -3.2215      1.00000
    107      -2.5626      0.00000
    108      -1.4632      0.00000
    109      -1.2673      0.00000
    110      -1.1852      0.00000
    111      -1.1837      0.00000
    112      -0.6447      0.00000
    113      -0.5514      0.00000
    114      -0.4147      0.00000
    115      -0.3474      0.00000
    116      -0.0776      0.00000
    117      -0.0633      0.00000
    118       0.1259      0.00000
    119       0.5931      0.00000
    120       0.6265      0.00000
    121       0.8553      0.00000
    122       0.9859      0.00000
    123       1.0035      0.00000
    124       1.4943      0.00000
    125       1.6842      0.00000
    126       1.7668      0.00000
    127       1.8622      0.00000
    128       2.1150      0.00000
    129       2.1482      0.00000
    130       2.1899      0.00000
    131       2.2103      0.00000
    132       2.2569      0.00000
    133       2.3553      0.00000
    134       2.4944      0.00000
    135       2.5121      0.00000
    136       2.6665      0.00000
    137       2.8526      0.00000
    138       2.8595      0.00000
    139       2.9547      0.00000
    140       3.0099      0.00000
    141       3.0429      0.00000
    142       3.1358      0.00000
    143       3.1962      0.00000
    144       3.2457      0.00000
    145       3.2549      0.00000
    146       3.2811      0.00000
    147       3.3035      0.00000
    148       3.3548      0.00000
    149       3.4206      0.00000
    150       3.5507      0.00000
    151       3.5663      0.00000
    152       3.6478      0.00000
    153       3.6645      0.00000
    154       3.7053      0.00000
    155       3.7308      0.00000
    156       3.8973      0.00000
    157       3.9636      0.00000
    158       4.0392      0.00000
    159       4.0774      0.00000
    160       4.1865      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2845      1.00000
      2     -22.0799      1.00000
      3     -21.7215      1.00000
      4     -21.6823      1.00000
      5     -20.9840      1.00000
      6     -20.9362      1.00000
      7     -20.6125      1.00000
      8     -20.5803      1.00000
      9     -20.5667      1.00000
     10     -20.0333      1.00000
     11     -19.5143      1.00000
     12     -19.4842      1.00000
     13     -19.3123      1.00000
     14     -19.2993      1.00000
     15     -18.4506      1.00000
     16     -18.4074      1.00000
     17     -17.9283      1.00000
     18     -17.9079      1.00000
     19     -17.7668      1.00000
     20     -17.7218      1.00000
     21     -17.4423      1.00000
     22     -17.4238      1.00000
     23     -17.3389      1.00000
     24     -16.4714      1.00000
     25     -16.4612      1.00000
     26     -15.9714      1.00000
     27     -15.4115      1.00000
     28     -15.4106      1.00000
     29     -15.0964      1.00000
     30     -15.0934      1.00000
     31     -14.8536      1.00000
     32     -14.8412      1.00000
     33     -14.2985      1.00000
     34     -14.2547      1.00000
     35     -13.4448      1.00000
     36     -13.4010      1.00000
     37     -13.1755      1.00000
     38     -13.1741      1.00000
     39     -12.9865      1.00000
     40     -12.9775      1.00000
     41     -12.6110      1.00000
     42     -12.6089      1.00000
     43     -12.1974      1.00000
     44     -11.5798      1.00000
     45     -11.5387      1.00000
     46     -11.3137      1.00000
     47     -11.2834      1.00000
     48     -11.1425      1.00000
     49     -10.6926      1.00000
     50     -10.6633      1.00000
     51     -10.5475      1.00000
     52     -10.3228      1.00000
     53     -10.3151      1.00000
     54     -10.1762      1.00000
     55     -10.1215      1.00000
     56     -10.1082      1.00000
     57      -9.8120      1.00000
     58      -9.7530      1.00000
     59      -9.7525      1.00000
     60      -9.7027      1.00000
     61      -9.6988      1.00000
     62      -9.6473      1.00000
     63      -9.3530      1.00000
     64      -9.3516      1.00000
     65      -9.3180      1.00000
     66      -9.0283      1.00000
     67      -8.9619      1.00000
     68      -8.9581      1.00000
     69      -8.7758      1.00000
     70      -8.5917      1.00000
     71      -8.5886      1.00000
     72      -8.4241      1.00000
     73      -8.3500      1.00000
     74      -8.3226      1.00000
     75      -8.3024      1.00000
     76      -8.2658      1.00000
     77      -8.2542      1.00000
     78      -8.2394      1.00000
     79      -7.9217      1.00000
     80      -7.7341      1.00000
     81      -7.3799      1.00000
     82      -7.3503      1.00000
     83      -7.3237      1.00000
     84      -7.2176      1.00000
     85      -7.1605      1.00000
     86      -7.0654      1.00000
     87      -6.9610      1.00000
     88      -6.9054      1.00000
     89      -6.6134      1.00000
     90      -6.5569      1.00000
     91      -6.2710      1.00000
     92      -5.9968      1.00000
     93      -5.9596      1.00000
     94      -5.6754      1.00000
     95      -5.6488      1.00000
     96      -5.3875      1.00000
     97      -5.3152      1.00000
     98      -5.2941      1.00000
     99      -5.2121      1.00000
    100      -5.2005      1.00000
    101      -4.5115      1.00000
    102      -4.3388      1.00000
    103      -3.9965      1.00000
    104      -3.8860      1.00000
    105      -3.7929      1.00000
    106      -3.4433      1.00000
    107      -2.0345      0.00000
    108      -1.8634      0.00000
    109      -1.2176      0.00000
    110      -1.1842      0.00000
    111      -1.0358      0.00000
    112      -0.7722      0.00000
    113      -0.6773      0.00000
    114      -0.6599      0.00000
    115      -0.6097      0.00000
    116      -0.1017      0.00000
    117       0.2226      0.00000
    118       0.2397      0.00000
    119       0.7698      0.00000
    120       0.9841      0.00000
    121       1.0739      0.00000
    122       1.2416      0.00000
    123       1.2511      0.00000
    124       1.3410      0.00000
    125       1.5786      0.00000
    126       1.5852      0.00000
    127       1.7028      0.00000
    128       1.7989      0.00000
    129       1.9468      0.00000
    130       1.9626      0.00000
    131       2.0863      0.00000
    132       2.2956      0.00000
    133       2.3425      0.00000
    134       2.4166      0.00000
    135       2.5445      0.00000
    136       2.6295      0.00000
    137       2.7681      0.00000
    138       2.8319      0.00000
    139       2.8437      0.00000
    140       2.8692      0.00000
    141       3.0497      0.00000
    142       3.1009      0.00000
    143       3.1533      0.00000
    144       3.2228      0.00000
    145       3.3751      0.00000
    146       3.4147      0.00000
    147       3.5058      0.00000
    148       3.5531      0.00000
    149       3.5908      0.00000
    150       3.6124      0.00000
    151       3.6495      0.00000
    152       3.7360      0.00000
    153       3.7455      0.00000
    154       3.7795      0.00000
    155       3.8187      0.00000
    156       3.8779      0.00000
    157       4.0222      0.00000
    158       4.0871      0.00000
    159       4.1700      0.00000
    160       4.2130      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4276      1.00000
      2     -21.6044      1.00000
      3     -21.4827      1.00000
      4     -21.4736      1.00000
      5     -21.4420      1.00000
      6     -21.4412      1.00000
      7     -21.4311      1.00000
      8     -19.7085      1.00000
      9     -19.6536      1.00000
     10     -19.6303      1.00000
     11     -19.6193      1.00000
     12     -19.6140      1.00000
     13     -19.6130      1.00000
     14     -18.7906      1.00000
     15     -18.7555      1.00000
     16     -18.7357      1.00000
     17     -18.7262      1.00000
     18     -18.7190      1.00000
     19     -18.7137      1.00000
     20     -16.6354      1.00000
     21     -16.6096      1.00000
     22     -16.5852      1.00000
     23     -16.5818      1.00000
     24     -16.5548      1.00000
     25     -16.5531      1.00000
     26     -15.6154      1.00000
     27     -15.6027      1.00000
     28     -15.5994      1.00000
     29     -15.5653      1.00000
     30     -15.5636      1.00000
     31     -15.5627      1.00000
     32     -14.2604      1.00000
     33     -14.2511      1.00000
     34     -14.2411      1.00000
     35     -14.2361      1.00000
     36     -14.2229      1.00000
     37     -14.2200      1.00000
     38     -11.9061      1.00000
     39     -11.8791      1.00000
     40     -11.8680      1.00000
     41     -11.8658      1.00000
     42     -11.8451      1.00000
     43     -11.8449      1.00000
     44     -11.7716      1.00000
     45     -11.7689      1.00000
     46     -11.7362      1.00000
     47     -11.7295      1.00000
     48     -11.7253      1.00000
     49     -11.7229      1.00000
     50     -10.6766      1.00000
     51     -10.3891      1.00000
     52     -10.3840      1.00000
     53     -10.3771      1.00000
     54     -10.3693      1.00000
     55     -10.3560      1.00000
     56     -10.3539      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4060      1.00000
     60      -9.3630      1.00000
     61      -9.3624      1.00000
     62      -9.3546      1.00000
     63      -9.1426      1.00000
     64      -9.1220      1.00000
     65      -9.1213      1.00000
     66      -9.0849      1.00000
     67      -9.0720      1.00000
     68      -9.0714      1.00000
     69      -9.0712      1.00000
     70      -9.0643      1.00000
     71      -9.0642      1.00000
     72      -9.0385      1.00000
     73      -9.0290      1.00000
     74      -9.0258      1.00000
     75      -8.1301      1.00000
     76      -7.7458      1.00000
     77      -7.4688      1.00000
     78      -7.4667      1.00000
     79      -7.4539      1.00000
     80      -7.4342      1.00000
     81      -7.4247      1.00000
     82      -7.4066      1.00000
     83      -7.3130      1.00000
     84      -7.2713      1.00000
     85      -7.2576      1.00000
     86      -7.2491      1.00000
     87      -7.1508      1.00000
     88      -7.0494      1.00000
     89      -6.4464      1.00000
     90      -6.4161      1.00000
     91      -6.4005      1.00000
     92      -6.3638      1.00000
     93      -6.3531      1.00000
     94      -6.3408      1.00000
     95      -5.9585      1.00000
     96      -5.9582      1.00000
     97      -4.8064      1.00000
     98      -4.5444      1.00000
     99      -4.4815      1.00000
    100      -4.4744      1.00000
    101      -4.3823      1.00000
    102      -4.3817      1.00000
    103      -4.2678      1.00000
    104      -4.1873      1.00000
    105      -3.7393      1.00000
    106      -3.4776      1.00000
    107      -1.8619      0.00000
    108      -1.6706      0.00000
    109      -1.6241      0.00000
    110      -1.5913      0.00000
    111      -1.5759      0.00000
    112      -1.5749      0.00000
    113      -0.4289      0.00000
    114       0.1458      0.00000
    115       0.1920      0.00000
    116       0.2556      0.00000
    117       0.2675      0.00000
    118       0.2714      0.00000
    119       0.4771      0.00000
    120       0.5481      0.00000
    121       1.2482      0.00000
    122       1.2900      0.00000
    123       1.5384      0.00000
    124       1.7715      0.00000
    125       1.7742      0.00000
    126       1.7747      0.00000
    127       1.8000      0.00000
    128       1.8298      0.00000
    129       1.9586      0.00000
    130       1.9691      0.00000
    131       1.9745      0.00000
    132       1.9893      0.00000
    133       1.9964      0.00000
    134       2.0791      0.00000
    135       2.2509      0.00000
    136       2.3469      0.00000
    137       2.6113      0.00000
    138       2.6130      0.00000
    139       2.6402      0.00000
    140       2.7156      0.00000
    141       2.9361      0.00000
    142       3.0483      0.00000
    143       3.0632      0.00000
    144       3.0999      0.00000
    145       3.1010      0.00000
    146       3.1074      0.00000
    147       3.1083      0.00000
    148       3.2795      0.00000
    149       3.4524      0.00000
    150       3.5095      0.00000
    151       3.8267      0.00000
    152       3.9609      0.00000
    153       3.9641      0.00000
    154       3.9671      0.00000
    155       3.9748      0.00000
    156       4.0004      0.00000
    157       4.1890      0.00000
    158       4.2626      0.00000
    159       4.2756      0.00000
    160       4.2840      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8318      1.00000
      3     -21.6395      1.00000
      4     -21.6116      1.00000
      5     -21.2759      1.00000
      6     -21.2365      1.00000
      7     -21.0581      1.00000
      8     -20.1688      1.00000
      9     -20.1305      1.00000
     10     -19.6096      1.00000
     11     -19.5986      1.00000
     12     -19.4182      1.00000
     13     -19.0906      1.00000
     14     -19.0609      1.00000
     15     -19.0498      1.00000
     16     -19.0424      1.00000
     17     -18.3615      1.00000
     18     -18.3531      1.00000
     19     -18.0198      1.00000
     20     -17.0698      1.00000
     21     -17.0311      1.00000
     22     -16.9445      1.00000
     23     -16.9406      1.00000
     24     -16.4685      1.00000
     25     -16.4638      1.00000
     26     -15.6149      1.00000
     27     -15.6081      1.00000
     28     -15.2533      1.00000
     29     -15.2442      1.00000
     30     -15.1854      1.00000
     31     -15.0986      1.00000
     32     -15.0717      1.00000
     33     -14.6992      1.00000
     34     -14.6972      1.00000
     35     -13.7270      1.00000
     36     -13.7245      1.00000
     37     -13.2362      1.00000
     38     -12.6146      1.00000
     39     -12.5844      1.00000
     40     -12.4549      1.00000
     41     -12.4513      1.00000
     42     -12.1097      1.00000
     43     -12.1051      1.00000
     44     -11.7179      1.00000
     45     -11.6870      1.00000
     46     -11.2355      1.00000
     47     -11.2262      1.00000
     48     -11.0182      1.00000
     49     -11.0102      1.00000
     50     -10.9272      1.00000
     51     -10.9058      1.00000
     52     -10.6317      1.00000
     53     -10.1554      1.00000
     54     -10.1513      1.00000
     55     -10.0921      1.00000
     56      -9.9990      1.00000
     57      -9.7033      1.00000
     58      -9.6953      1.00000
     59      -9.6565      1.00000
     60      -9.5922      1.00000
     61      -9.5771      1.00000
     62      -9.5591      1.00000
     63      -9.3074      1.00000
     64      -9.3036      1.00000
     65      -9.2746      1.00000
     66      -9.2370      1.00000
     67      -9.1373      1.00000
     68      -9.1154      1.00000
     69      -9.1117      1.00000
     70      -8.9402      1.00000
     71      -8.8725      1.00000
     72      -8.6046      1.00000
     73      -8.5911      1.00000
     74      -8.2368      1.00000
     75      -8.1006      1.00000
     76      -7.9135      1.00000
     77      -7.8641      1.00000
     78      -7.7719      1.00000
     79      -7.7570      1.00000
     80      -7.6923      1.00000
     81      -7.5607      1.00000
     82      -7.3390      1.00000
     83      -7.3229      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0125      1.00000
     88      -6.7047      1.00000
     89      -6.6784      1.00000
     90      -6.6413      1.00000
     91      -6.5979      1.00000
     92      -6.1159      1.00000
     93      -6.0624      1.00000
     94      -6.0313      1.00000
     95      -6.0116      1.00000
     96      -5.7835      1.00000
     97      -4.9745      1.00000
     98      -4.8322      1.00000
     99      -4.7471      1.00000
    100      -4.6795      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1720      1.00000
    104      -4.1280      1.00000
    105      -3.7296      1.00000
    106      -3.4878      1.00000
    107      -1.8704      0.00000
    108      -1.8089      0.00000
    109      -1.5244      0.00000
    110      -1.3776      0.00000
    111      -1.3214      0.00000
    112      -1.2880      0.00000
    113      -0.7199      0.00000
    114      -0.3760      0.00000
    115      -0.2499      0.00000
    116       0.0369      0.00000
    117       0.5559      0.00000
    118       0.6985      0.00000
    119       0.7464      0.00000
    120       1.0480      0.00000
    121       1.1000      0.00000
    122       1.1498      0.00000
    123       1.2274      0.00000
    124       1.3779      0.00000
    125       1.5242      0.00000
    126       1.5841      0.00000
    127       1.7156      0.00000
    128       1.8152      0.00000
    129       1.8580      0.00000
    130       1.8818      0.00000
    131       2.0967      0.00000
    132       2.1875      0.00000
    133       2.2419      0.00000
    134       2.3075      0.00000
    135       2.5148      0.00000
    136       2.5903      0.00000
    137       2.6428      0.00000
    138       2.7804      0.00000
    139       2.7980      0.00000
    140       2.8272      0.00000
    141       2.8613      0.00000
    142       2.9022      0.00000
    143       2.9440      0.00000
    144       3.0827      0.00000
    145       3.1549      0.00000
    146       3.3197      0.00000
    147       3.3855      0.00000
    148       3.4311      0.00000
    149       3.4705      0.00000
    150       3.6211      0.00000
    151       3.6480      0.00000
    152       3.6717      0.00000
    153       3.7162      0.00000
    154       3.9136      0.00000
    155       3.9624      0.00000
    156       4.0181      0.00000
    157       4.0687      0.00000
    158       4.2415      0.00000
    159       4.2540      0.00000
    160       4.2772      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2849      1.00000
      2     -22.0793      1.00000
      3     -21.7179      1.00000
      4     -21.6861      1.00000
      5     -20.9806      1.00000
      6     -20.9400      1.00000
      7     -20.6130      1.00000
      8     -20.5763      1.00000
      9     -20.5701      1.00000
     10     -20.0337      1.00000
     11     -19.5044      1.00000
     12     -19.4927      1.00000
     13     -19.3078      1.00000
     14     -19.3026      1.00000
     15     -18.4486      1.00000
     16     -18.4119      1.00000
     17     -17.9231      1.00000
     18     -17.9137      1.00000
     19     -17.7624      1.00000
     20     -17.7266      1.00000
     21     -17.4366      1.00000
     22     -17.4292      1.00000
     23     -17.3416      1.00000
     24     -16.4635      1.00000
     25     -16.4624      1.00000
     26     -15.9678      1.00000
     27     -15.4151      1.00000
     28     -15.4096      1.00000
     29     -15.0973      1.00000
     30     -15.0939      1.00000
     31     -14.8555      1.00000
     32     -14.8479      1.00000
     33     -14.2908      1.00000
     34     -14.2580      1.00000
     35     -13.4371      1.00000
     36     -13.4046      1.00000
     37     -13.1779      1.00000
     38     -13.1746      1.00000
     39     -12.9826      1.00000
     40     -12.9777      1.00000
     41     -12.6134      1.00000
     42     -12.6103      1.00000
     43     -12.1981      1.00000
     44     -11.5771      1.00000
     45     -11.5434      1.00000
     46     -11.3112      1.00000
     47     -11.2884      1.00000
     48     -11.1423      1.00000
     49     -10.6768      1.00000
     50     -10.6607      1.00000
     51     -10.5537      1.00000
     52     -10.3238      1.00000
     53     -10.3181      1.00000
     54     -10.1700      1.00000
     55     -10.1156      1.00000
     56     -10.1130      1.00000
     57      -9.7988      1.00000
     58      -9.7652      1.00000
     59      -9.7524      1.00000
     60      -9.7004      1.00000
     61      -9.6973      1.00000
     62      -9.6627      1.00000
     63      -9.3546      1.00000
     64      -9.3518      1.00000
     65      -9.3159      1.00000
     66      -9.0415      1.00000
     67      -8.9624      1.00000
     68      -8.9499      1.00000
     69      -8.8000      1.00000
     70      -8.5952      1.00000
     71      -8.5581      1.00000
     72      -8.3988      1.00000
     73      -8.3653      1.00000
     74      -8.3247      1.00000
     75      -8.3073      1.00000
     76      -8.2590      1.00000
     77      -8.2574      1.00000
     78      -8.2366      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3866      1.00000
     83      -7.3495      1.00000
     84      -7.2310      1.00000
     85      -7.0967      1.00000
     86      -7.0391      1.00000
     87      -6.9342      1.00000
     88      -6.8483      1.00000
     89      -6.6127      1.00000
     90      -6.5588      1.00000
     91      -6.2698      1.00000
     92      -6.0440      1.00000
     93      -5.9518      1.00000
     94      -5.6629      1.00000
     95      -5.6228      1.00000
     96      -5.4633      1.00000
     97      -5.3201      1.00000
     98      -5.2790      1.00000
     99      -5.2140      1.00000
    100      -5.1940      1.00000
    101      -4.5085      1.00000
    102      -4.2077      1.00000
    103      -4.0593      1.00000
    104      -3.9892      1.00000
    105      -3.6944      1.00000
    106      -3.4980      1.00000
    107      -1.9462      0.00000
    108      -1.8963      0.00000
    109      -1.3390      0.00000
    110      -1.0849      0.00000
    111      -1.0582      0.00000
    112      -0.8003      0.00000
    113      -0.6776      0.00000
    114      -0.6468      0.00000
    115      -0.6072      0.00000
    116      -0.1080      0.00000
    117       0.2155      0.00000
    118       0.3291      0.00000
    119       0.6943      0.00000
    120       0.8877      0.00000
    121       1.1273      0.00000
    122       1.1992      0.00000
    123       1.3265      0.00000
    124       1.4212      0.00000
    125       1.5545      0.00000
    126       1.5764      0.00000
    127       1.6804      0.00000
    128       1.8085      0.00000
    129       1.8845      0.00000
    130       2.0565      0.00000
    131       2.1249      0.00000
    132       2.3277      0.00000
    133       2.3596      0.00000
    134       2.3964      0.00000
    135       2.5475      0.00000
    136       2.6316      0.00000
    137       2.7302      0.00000
    138       2.7595      0.00000
    139       2.8290      0.00000
    140       2.8840      0.00000
    141       3.0493      0.00000
    142       3.0595      0.00000
    143       3.1650      0.00000
    144       3.2656      0.00000
    145       3.3617      0.00000
    146       3.4163      0.00000
    147       3.4346      0.00000
    148       3.5681      0.00000
    149       3.5858      0.00000
    150       3.6031      0.00000
    151       3.6606      0.00000
    152       3.6760      0.00000
    153       3.7820      0.00000
    154       3.8028      0.00000
    155       3.8096      0.00000
    156       3.8952      0.00000
    157       3.9230      0.00000
    158       3.9953      0.00000
    159       4.2160      0.00000
    160       4.2268      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.9642      1.00000
      3     -21.8950      1.00000
      4     -21.3822      1.00000
      5     -21.3530      1.00000
      6     -20.8409      1.00000
      7     -20.7756      1.00000
      8     -20.6253      1.00000
      9     -20.0788      1.00000
     10     -20.0731      1.00000
     11     -19.7179      1.00000
     12     -19.6934      1.00000
     13     -18.9975      1.00000
     14     -18.9916      1.00000
     15     -18.6416      1.00000
     16     -18.6257      1.00000
     17     -18.4630      1.00000
     18     -17.6761      1.00000
     19     -17.6257      1.00000
     20     -17.6228      1.00000
     21     -17.5810      1.00000
     22     -17.1273      1.00000
     23     -17.1058      1.00000
     24     -16.9627      1.00000
     25     -16.0023      1.00000
     26     -15.9305      1.00000
     27     -15.5865      1.00000
     28     -15.5862      1.00000
     29     -15.2876      1.00000
     30     -14.8648      1.00000
     31     -14.8375      1.00000
     32     -14.5795      1.00000
     33     -14.5376      1.00000
     34     -14.1694      1.00000
     35     -14.1558      1.00000
     36     -13.1485      1.00000
     37     -13.1013      1.00000
     38     -13.0302      1.00000
     39     -13.0200      1.00000
     40     -12.7095      1.00000
     41     -12.7053      1.00000
     42     -12.3423      1.00000
     43     -12.3110      1.00000
     44     -11.6365      1.00000
     45     -11.6229      1.00000
     46     -11.5727      1.00000
     47     -10.9501      1.00000
     48     -10.9170      1.00000
     49     -10.6329      1.00000
     50     -10.6248      1.00000
     51     -10.5479      1.00000
     52     -10.5002      1.00000
     53     -10.4999      1.00000
     54     -10.4399      1.00000
     55     -10.3607      1.00000
     56     -10.1001      1.00000
     57      -9.9042      1.00000
     58      -9.6088      1.00000
     59      -9.5565      1.00000
     60      -9.4530      1.00000
     61      -9.4126      1.00000
     62      -9.4057      1.00000
     63      -9.3776      1.00000
     64      -9.3772      1.00000
     65      -9.2880      1.00000
     66      -9.1691      1.00000
     67      -9.1435      1.00000
     68      -9.1152      1.00000
     69      -8.8652      1.00000
     70      -8.8576      1.00000
     71      -8.8157      1.00000
     72      -8.5975      1.00000
     73      -8.4805      1.00000
     74      -8.1991      1.00000
     75      -8.1637      1.00000
     76      -8.0093      1.00000
     77      -7.9640      1.00000
     78      -7.8507      1.00000
     79      -7.8406      1.00000
     80      -7.7044      1.00000
     81      -7.6971      1.00000
     82      -7.6224      1.00000
     83      -7.4491      1.00000
     84      -7.3009      1.00000
     85      -7.2533      1.00000
     86      -6.9065      1.00000
     87      -6.8928      1.00000
     88      -6.5890      1.00000
     89      -6.5515      1.00000
     90      -6.4063      1.00000
     91      -6.2537      1.00000
     92      -6.2330      1.00000
     93      -6.2056      1.00000
     94      -6.0232      1.00000
     95      -5.5502      1.00000
     96      -5.4891      1.00000
     97      -5.3505      1.00000
     98      -5.2198      1.00000
     99      -4.9795      1.00000
    100      -4.7327      1.00000
    101      -4.6781      1.00000
    102      -4.3875      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5464      1.00000
    106      -3.5100      1.00000
    107      -2.2563      0.00000
    108      -1.4566      0.00000
    109      -1.3713      0.00000
    110      -1.2418      0.00000
    111      -1.0979      0.00000
    112      -0.9450      0.00000
    113      -0.8637      0.00000
    114      -0.8033      0.00000
    115      -0.1393      0.00000
    116       0.1111      0.00000
    117       0.2407      0.00000
    118       0.3776      0.00000
    119       0.6518      0.00000
    120       0.8359      0.00000
    121       0.9366      0.00000
    122       1.0639      0.00000
    123       1.2336      0.00000
    124       1.4483      0.00000
    125       1.5515      0.00000
    126       1.7664      0.00000
    127       1.7936      0.00000
    128       1.8750      0.00000
    129       1.9703      0.00000
    130       2.0450      0.00000
    131       2.1770      0.00000
    132       2.1945      0.00000
    133       2.4112      0.00000
    134       2.4620      0.00000
    135       2.5309      0.00000
    136       2.6043      0.00000
    137       2.6380      0.00000
    138       2.6960      0.00000
    139       2.7811      0.00000
    140       2.8357      0.00000
    141       2.9502      0.00000
    142       3.0859      0.00000
    143       3.2026      0.00000
    144       3.2112      0.00000
    145       3.2595      0.00000
    146       3.3272      0.00000
    147       3.3349      0.00000
    148       3.4683      0.00000
    149       3.5006      0.00000
    150       3.6986      0.00000
    151       3.7115      0.00000
    152       3.7274      0.00000
    153       3.8583      0.00000
    154       3.9142      0.00000
    155       3.9492      0.00000
    156       3.9813      0.00000
    157       4.0169      0.00000
    158       4.0344      0.00000
    159       4.0517      0.00000
    160       4.0717      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2119      1.00000
      2     -22.1189      1.00000
      3     -21.9582      1.00000
      4     -21.4057      1.00000
      5     -21.0511      1.00000
      6     -21.0151      1.00000
      7     -20.5019      1.00000
      8     -20.4625      1.00000
      9     -20.2961      1.00000
     10     -20.2768      1.00000
     11     -19.9587      1.00000
     12     -19.8930      1.00000
     13     -18.8836      1.00000
     14     -18.8148      1.00000
     15     -18.3538      1.00000
     16     -18.3076      1.00000
     17     -18.1540      1.00000
     18     -18.1368      1.00000
     19     -17.8277      1.00000
     20     -17.7901      1.00000
     21     -17.2525      1.00000
     22     -17.2425      1.00000
     23     -17.1655      1.00000
     24     -17.1337      1.00000
     25     -16.1110      1.00000
     26     -15.8865      1.00000
     27     -15.8712      1.00000
     28     -15.8350      1.00000
     29     -15.2371      1.00000
     30     -14.5559      1.00000
     31     -14.5280      1.00000
     32     -14.2808      1.00000
     33     -13.9645      1.00000
     34     -13.9570      1.00000
     35     -13.8209      1.00000
     36     -13.8051      1.00000
     37     -13.6154      1.00000
     38     -13.5716      1.00000
     39     -13.3710      1.00000
     40     -12.6354      1.00000
     41     -12.1816      1.00000
     42     -12.1336      1.00000
     43     -12.0730      1.00000
     44     -12.0207      1.00000
     45     -11.6701      1.00000
     46     -11.6566      1.00000
     47     -11.1395      1.00000
     48     -11.1189      1.00000
     49     -10.7954      1.00000
     50     -10.7319      1.00000
     51     -10.5295      1.00000
     52     -10.2091      1.00000
     53     -10.2064      1.00000
     54     -10.1654      1.00000
     55     -10.0184      1.00000
     56     -10.0049      1.00000
     57      -9.9913      1.00000
     58      -9.8019      1.00000
     59      -9.7980      1.00000
     60      -9.7627      1.00000
     61      -9.7579      1.00000
     62      -9.4552      1.00000
     63      -9.4180      1.00000
     64      -9.0810      1.00000
     65      -9.0729      1.00000
     66      -9.0413      1.00000
     67      -8.9558      1.00000
     68      -8.8779      1.00000
     69      -8.7126      1.00000
     70      -8.7003      1.00000
     71      -8.5664      1.00000
     72      -8.5435      1.00000
     73      -8.4998      1.00000
     74      -8.4630      1.00000
     75      -8.4538      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0438      1.00000
     79      -7.9160      1.00000
     80      -7.8635      1.00000
     81      -7.6152      1.00000
     82      -7.5489      1.00000
     83      -7.4902      1.00000
     84      -7.2681      1.00000
     85      -6.9955      1.00000
     86      -6.9233      1.00000
     87      -6.8823      1.00000
     88      -6.5327      1.00000
     89      -6.4874      1.00000
     90      -6.4615      1.00000
     91      -6.4105      1.00000
     92      -5.9841      1.00000
     93      -5.8976      1.00000
     94      -5.7847      1.00000
     95      -5.7598      1.00000
     96      -5.4323      1.00000
     97      -5.3294      1.00000
     98      -5.2304      1.00000
     99      -5.2179      1.00000
    100      -5.1885      1.00000
    101      -4.6922      1.00000
    102      -4.4215      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5292      1.00000
    106      -3.2742      1.00000
    107      -2.5312      0.00000
    108      -1.4581      0.00000
    109      -1.2667      0.00000
    110      -1.2029      0.00000
    111      -1.1725      0.00000
    112      -0.7197      0.00000
    113      -0.5035      0.00000
    114      -0.4119      0.00000
    115      -0.3395      0.00000
    116      -0.1459      0.00000
    117      -0.0028      0.00000
    118       0.1939      0.00000
    119       0.5613      0.00000
    120       0.6125      0.00000
    121       0.7964      0.00000
    122       0.9071      0.00000
    123       1.1327      0.00000
    124       1.4942      0.00000
    125       1.6352      0.00000
    126       1.8548      0.00000
    127       1.9279      0.00000
    128       2.1063      0.00000
    129       2.1165      0.00000
    130       2.1534      0.00000
    131       2.1885      0.00000
    132       2.2799      0.00000
    133       2.3410      0.00000
    134       2.4690      0.00000
    135       2.5816      0.00000
    136       2.6588      0.00000
    137       2.8551      0.00000
    138       2.8717      0.00000
    139       2.8941      0.00000
    140       3.0220      0.00000
    141       3.0287      0.00000
    142       3.1410      0.00000
    143       3.1838      0.00000
    144       3.2359      0.00000
    145       3.2759      0.00000
    146       3.2848      0.00000
    147       3.3007      0.00000
    148       3.3471      0.00000
    149       3.4242      0.00000
    150       3.4456      0.00000
    151       3.5542      0.00000
    152       3.6243      0.00000
    153       3.7096      0.00000
    154       3.7334      0.00000
    155       3.7736      0.00000
    156       3.8950      0.00000
    157       3.9435      0.00000
    158       4.0073      0.00000
    159       4.1329      0.00000
    160       4.2256      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3187      1.00000
      2     -21.9657      1.00000
      3     -21.8935      1.00000
      4     -21.3859      1.00000
      5     -21.3495      1.00000
      6     -20.8407      1.00000
      7     -20.7743      1.00000
      8     -20.6262      1.00000
      9     -20.0907      1.00000
     10     -20.0619      1.00000
     11     -19.7195      1.00000
     12     -19.6907      1.00000
     13     -19.0108      1.00000
     14     -18.9797      1.00000
     15     -18.6507      1.00000
     16     -18.6180      1.00000
     17     -18.4616      1.00000
     18     -17.6613      1.00000
     19     -17.6476      1.00000
     20     -17.6114      1.00000
     21     -17.5789      1.00000
     22     -17.1380      1.00000
     23     -17.0981      1.00000
     24     -16.9664      1.00000
     25     -16.0087      1.00000
     26     -15.9239      1.00000
     27     -15.5998      1.00000
     28     -15.5763      1.00000
     29     -15.2804      1.00000
     30     -14.8775      1.00000
     31     -14.8304      1.00000
     32     -14.5753      1.00000
     33     -14.5375      1.00000
     34     -14.1644      1.00000
     35     -14.1604      1.00000
     36     -13.1627      1.00000
     37     -13.0969      1.00000
     38     -13.0238      1.00000
     39     -13.0190      1.00000
     40     -12.7185      1.00000
     41     -12.6952      1.00000
     42     -12.3414      1.00000
     43     -12.3142      1.00000
     44     -11.6319      1.00000
     45     -11.6227      1.00000
     46     -11.5707      1.00000
     47     -10.9412      1.00000
     48     -10.9234      1.00000
     49     -10.6695      1.00000
     50     -10.5902      1.00000
     51     -10.5736      1.00000
     52     -10.5011      1.00000
     53     -10.4897      1.00000
     54     -10.4394      1.00000
     55     -10.3568      1.00000
     56     -10.1045      1.00000
     57      -9.8985      1.00000
     58      -9.6092      1.00000
     59      -9.5520      1.00000
     60      -9.4548      1.00000
     61      -9.4181      1.00000
     62      -9.4099      1.00000
     63      -9.3799      1.00000
     64      -9.3728      1.00000
     65      -9.2681      1.00000
     66      -9.1653      1.00000
     67      -9.1413      1.00000
     68      -9.1159      1.00000
     69      -8.8663      1.00000
     70      -8.8603      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1933      1.00000
     75      -8.1706      1.00000
     76      -8.0762      1.00000
     77      -7.8580      1.00000
     78      -7.8372      1.00000
     79      -7.8242      1.00000
     80      -7.7106      1.00000
     81      -7.6962      1.00000
     82      -7.5978      1.00000
     83      -7.5301      1.00000
     84      -7.3507      1.00000
     85      -7.1680      1.00000
     86      -6.9052      1.00000
     87      -6.8959      1.00000
     88      -6.5928      1.00000
     89      -6.5516      1.00000
     90      -6.4062      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2010      1.00000
     94      -6.0042      1.00000
     95      -5.5320      1.00000
     96      -5.4654      1.00000
     97      -5.3143      1.00000
     98      -5.2097      1.00000
     99      -5.0470      1.00000
    100      -4.7236      1.00000
    101      -4.6717      1.00000
    102      -4.4239      1.00000
    103      -4.1948      1.00000
    104      -3.8428      1.00000
    105      -3.6345      1.00000
    106      -3.4163      1.00000
    107      -2.2925      0.00000
    108      -1.5094      0.00000
    109      -1.2700      0.00000
    110      -1.2623      0.00000
    111      -1.0343      0.00000
    112      -0.9778      0.00000
    113      -0.8681      0.00000
    114      -0.7998      0.00000
    115      -0.2616      0.00000
    116       0.2044      0.00000
    117       0.2395      0.00000
    118       0.3600      0.00000
    119       0.6910      0.00000
    120       0.8942      0.00000
    121       0.9239      0.00000
    122       1.0406      0.00000
    123       1.1671      0.00000
    124       1.5100      0.00000
    125       1.5603      0.00000
    126       1.7115      0.00000
    127       1.7789      0.00000
    128       1.8343      0.00000
    129       1.9639      0.00000
    130       1.9859      0.00000
    131       2.1852      0.00000
    132       2.2630      0.00000
    133       2.4163      0.00000
    134       2.4680      0.00000
    135       2.5288      0.00000
    136       2.6008      0.00000
    137       2.6188      0.00000
    138       2.6995      0.00000
    139       2.7607      0.00000
    140       2.8650      0.00000
    141       3.0366      0.00000
    142       3.0839      0.00000
    143       3.1906      0.00000
    144       3.2478      0.00000
    145       3.2613      0.00000
    146       3.2997      0.00000
    147       3.3598      0.00000
    148       3.4534      0.00000
    149       3.5214      0.00000
    150       3.6922      0.00000
    151       3.7173      0.00000
    152       3.7489      0.00000
    153       3.8315      0.00000
    154       3.8925      0.00000
    155       3.9352      0.00000
    156       3.9803      0.00000
    157       4.0100      0.00000
    158       4.0434      0.00000
    159       4.0493      0.00000
    160       4.0853      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8321      1.00000
      3     -21.6427      1.00000
      4     -21.6077      1.00000
      5     -21.2800      1.00000
      6     -21.2330      1.00000
      7     -21.0577      1.00000
      8     -20.1726      1.00000
      9     -20.1264      1.00000
     10     -19.6179      1.00000
     11     -19.5917      1.00000
     12     -19.4167      1.00000
     13     -19.0956      1.00000
     14     -19.0569      1.00000
     15     -19.0525      1.00000
     16     -19.0398      1.00000
     17     -18.3676      1.00000
     18     -18.3479      1.00000
     19     -18.0176      1.00000
     20     -17.0731      1.00000
     21     -17.0243      1.00000
     22     -16.9503      1.00000
     23     -16.9365      1.00000
     24     -16.4753      1.00000
     25     -16.4634      1.00000
     26     -15.6101      1.00000
     27     -15.6096      1.00000
     28     -15.2505      1.00000
     29     -15.2384      1.00000
     30     -15.1923      1.00000
     31     -15.1022      1.00000
     32     -15.0692      1.00000
     33     -14.6988      1.00000
     34     -14.6979      1.00000
     35     -13.7254      1.00000
     36     -13.7253      1.00000
     37     -13.2359      1.00000
     38     -12.6247      1.00000
     39     -12.5806      1.00000
     40     -12.4555      1.00000
     41     -12.4501      1.00000
     42     -12.1053      1.00000
     43     -12.1004      1.00000
     44     -11.7219      1.00000
     45     -11.6833      1.00000
     46     -11.2456      1.00000
     47     -11.2250      1.00000
     48     -11.0182      1.00000
     49     -11.0065      1.00000
     50     -10.9281      1.00000
     51     -10.8994      1.00000
     52     -10.6377      1.00000
     53     -10.1729      1.00000
     54     -10.1500      1.00000
     55     -10.0852      1.00000
     56      -9.9927      1.00000
     57      -9.6966      1.00000
     58      -9.6901      1.00000
     59      -9.6710      1.00000
     60      -9.5915      1.00000
     61      -9.5675      1.00000
     62      -9.5543      1.00000
     63      -9.3132      1.00000
     64      -9.3006      1.00000
     65      -9.2837      1.00000
     66      -9.2431      1.00000
     67      -9.1227      1.00000
     68      -9.1130      1.00000
     69      -9.1113      1.00000
     70      -8.9401      1.00000
     71      -8.8753      1.00000
     72      -8.6049      1.00000
     73      -8.5862      1.00000
     74      -8.2712      1.00000
     75      -8.1016      1.00000
     76      -7.8676      1.00000
     77      -7.8440      1.00000
     78      -7.7908      1.00000
     79      -7.7650      1.00000
     80      -7.7560      1.00000
     81      -7.4473      1.00000
     82      -7.3350      1.00000
     83      -7.3235      1.00000
     84      -7.2664      1.00000
     85      -7.1628      1.00000
     86      -7.0148      1.00000
     87      -6.9867      1.00000
     88      -6.7179      1.00000
     89      -6.6908      1.00000
     90      -6.6319      1.00000
     91      -6.5908      1.00000
     92      -6.1179      1.00000
     93      -6.0590      1.00000
     94      -6.0448      1.00000
     95      -6.0286      1.00000
     96      -5.7481      1.00000
     97      -4.9748      1.00000
     98      -4.8397      1.00000
     99      -4.7091      1.00000
    100      -4.6735      1.00000
    101      -4.4837      1.00000
    102      -4.3523      1.00000
    103      -4.1119      1.00000
    104      -4.0556      1.00000
    105      -3.7550      1.00000
    106      -3.4654      1.00000
    107      -1.9506      0.00000
    108      -1.7711      0.00000
    109      -1.4798      0.00000
    110      -1.3555      0.00000
    111      -1.3359      0.00000
    112      -1.2926      0.00000
    113      -0.6785      0.00000
    114      -0.4719      0.00000
    115      -0.2355      0.00000
    116       0.0516      0.00000
    117       0.5877      0.00000
    118       0.6924      0.00000
    119       0.7701      0.00000
    120       1.0228      0.00000
    121       1.0970      0.00000
    122       1.1767      0.00000
    123       1.2501      0.00000
    124       1.3349      0.00000
    125       1.4338      0.00000
    126       1.6006      0.00000
    127       1.7643      0.00000
    128       1.8429      0.00000
    129       1.8602      0.00000
    130       1.8877      0.00000
    131       2.0459      0.00000
    132       2.2178      0.00000
    133       2.2331      0.00000
    134       2.2870      0.00000
    135       2.4811      0.00000
    136       2.6202      0.00000
    137       2.6436      0.00000
    138       2.7538      0.00000
    139       2.7978      0.00000
    140       2.8363      0.00000
    141       2.8484      0.00000
    142       2.8729      0.00000
    143       2.9485      0.00000
    144       3.0867      0.00000
    145       3.3165      0.00000
    146       3.3560      0.00000
    147       3.4082      0.00000
    148       3.4210      0.00000
    149       3.4263      0.00000
    150       3.6056      0.00000
    151       3.6525      0.00000
    152       3.6792      0.00000
    153       3.7323      0.00000
    154       3.8969      0.00000
    155       3.9263      0.00000
    156       3.9578      0.00000
    157       4.1082      0.00000
    158       4.2076      0.00000
    159       4.2596      0.00000
    160       4.2851      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2110      1.00000
      2     -22.1203      1.00000
      3     -21.9579      1.00000
      4     -21.4058      1.00000
      5     -21.0472      1.00000
      6     -21.0189      1.00000
      7     -20.4971      1.00000
      8     -20.4672      1.00000
      9     -20.2873      1.00000
     10     -20.2853      1.00000
     11     -19.9576      1.00000
     12     -19.8945      1.00000
     13     -18.8842      1.00000
     14     -18.8166      1.00000
     15     -18.3386      1.00000
     16     -18.3195      1.00000
     17     -18.1499      1.00000
     18     -18.1424      1.00000
     19     -17.8166      1.00000
     20     -17.7986      1.00000
     21     -17.2587      1.00000
     22     -17.2391      1.00000
     23     -17.1608      1.00000
     24     -17.1360      1.00000
     25     -16.1175      1.00000
     26     -15.8812      1.00000
     27     -15.8701      1.00000
     28     -15.8409      1.00000
     29     -15.2314      1.00000
     30     -14.5513      1.00000
     31     -14.5330      1.00000
     32     -14.2761      1.00000
     33     -13.9756      1.00000
     34     -13.9519      1.00000
     35     -13.8253      1.00000
     36     -13.8030      1.00000
     37     -13.6044      1.00000
     38     -13.5792      1.00000
     39     -13.3712      1.00000
     40     -12.6396      1.00000
     41     -12.1691      1.00000
     42     -12.1428      1.00000
     43     -12.0685      1.00000
     44     -12.0217      1.00000
     45     -11.6655      1.00000
     46     -11.6608      1.00000
     47     -11.1369      1.00000
     48     -11.1258      1.00000
     49     -10.7906      1.00000
     50     -10.7344      1.00000
     51     -10.5361      1.00000
     52     -10.2090      1.00000
     53     -10.2028      1.00000
     54     -10.1711      1.00000
     55     -10.0233      1.00000
     56      -9.9948      1.00000
     57      -9.9907      1.00000
     58      -9.8055      1.00000
     59      -9.7965      1.00000
     60      -9.7649      1.00000
     61      -9.7570      1.00000
     62      -9.4545      1.00000
     63      -9.4179      1.00000
     64      -9.0852      1.00000
     65      -9.0463      1.00000
     66      -9.0260      1.00000
     67      -8.9698      1.00000
     68      -8.8982      1.00000
     69      -8.7086      1.00000
     70      -8.6994      1.00000
     71      -8.5600      1.00000
     72      -8.5493      1.00000
     73      -8.4782      1.00000
     74      -8.4599      1.00000
     75      -8.4571      1.00000
     76      -8.3087      1.00000
     77      -8.0955      1.00000
     78      -8.0896      1.00000
     79      -7.9269      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5369      1.00000
     83      -7.4438      1.00000
     84      -7.3142      1.00000
     85      -6.9942      1.00000
     86      -6.9195      1.00000
     87      -6.8825      1.00000
     88      -6.5277      1.00000
     89      -6.5150      1.00000
     90      -6.4809      1.00000
     91      -6.4208      1.00000
     92      -5.9273      1.00000
     93      -5.9054      1.00000
     94      -5.7890      1.00000
     95      -5.7751      1.00000
     96      -5.3695      1.00000
     97      -5.3633      1.00000
     98      -5.2205      1.00000
     99      -5.2155      1.00000
    100      -5.1989      1.00000
    101      -4.7204      1.00000
    102      -4.4424      1.00000
    103      -4.1909      1.00000
    104      -3.8204      1.00000
    105      -3.5655      1.00000
    106      -3.2215      1.00000
    107      -2.5626      0.00000
    108      -1.4632      0.00000
    109      -1.2673      0.00000
    110      -1.1852      0.00000
    111      -1.1837      0.00000
    112      -0.6447      0.00000
    113      -0.5514      0.00000
    114      -0.4147      0.00000
    115      -0.3474      0.00000
    116      -0.0776      0.00000
    117      -0.0633      0.00000
    118       0.1259      0.00000
    119       0.5931      0.00000
    120       0.6265      0.00000
    121       0.8553      0.00000
    122       0.9859      0.00000
    123       1.0035      0.00000
    124       1.4943      0.00000
    125       1.6842      0.00000
    126       1.7668      0.00000
    127       1.8622      0.00000
    128       2.1150      0.00000
    129       2.1482      0.00000
    130       2.1899      0.00000
    131       2.2103      0.00000
    132       2.2569      0.00000
    133       2.3553      0.00000
    134       2.4944      0.00000
    135       2.5121      0.00000
    136       2.6665      0.00000
    137       2.8526      0.00000
    138       2.8595      0.00000
    139       2.9547      0.00000
    140       3.0099      0.00000
    141       3.0429      0.00000
    142       3.1358      0.00000
    143       3.1962      0.00000
    144       3.2457      0.00000
    145       3.2549      0.00000
    146       3.2811      0.00000
    147       3.3035      0.00000
    148       3.3548      0.00000
    149       3.4206      0.00000
    150       3.5507      0.00000
    151       3.5663      0.00000
    152       3.6478      0.00000
    153       3.6645      0.00000
    154       3.7053      0.00000
    155       3.7308      0.00000
    156       3.8973      0.00000
    157       3.9636      0.00000
    158       4.0392      0.00000
    159       4.0774      0.00000
    160       4.1865      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2845      1.00000
      2     -22.0799      1.00000
      3     -21.7215      1.00000
      4     -21.6823      1.00000
      5     -20.9840      1.00000
      6     -20.9362      1.00000
      7     -20.6125      1.00000
      8     -20.5803      1.00000
      9     -20.5667      1.00000
     10     -20.0333      1.00000
     11     -19.5143      1.00000
     12     -19.4842      1.00000
     13     -19.3123      1.00000
     14     -19.2993      1.00000
     15     -18.4506      1.00000
     16     -18.4074      1.00000
     17     -17.9283      1.00000
     18     -17.9079      1.00000
     19     -17.7668      1.00000
     20     -17.7218      1.00000
     21     -17.4423      1.00000
     22     -17.4238      1.00000
     23     -17.3389      1.00000
     24     -16.4714      1.00000
     25     -16.4612      1.00000
     26     -15.9714      1.00000
     27     -15.4115      1.00000
     28     -15.4106      1.00000
     29     -15.0964      1.00000
     30     -15.0934      1.00000
     31     -14.8536      1.00000
     32     -14.8412      1.00000
     33     -14.2985      1.00000
     34     -14.2547      1.00000
     35     -13.4448      1.00000
     36     -13.4010      1.00000
     37     -13.1755      1.00000
     38     -13.1741      1.00000
     39     -12.9865      1.00000
     40     -12.9775      1.00000
     41     -12.6110      1.00000
     42     -12.6089      1.00000
     43     -12.1974      1.00000
     44     -11.5798      1.00000
     45     -11.5387      1.00000
     46     -11.3137      1.00000
     47     -11.2834      1.00000
     48     -11.1425      1.00000
     49     -10.6926      1.00000
     50     -10.6633      1.00000
     51     -10.5475      1.00000
     52     -10.3228      1.00000
     53     -10.3151      1.00000
     54     -10.1762      1.00000
     55     -10.1215      1.00000
     56     -10.1082      1.00000
     57      -9.8120      1.00000
     58      -9.7530      1.00000
     59      -9.7525      1.00000
     60      -9.7027      1.00000
     61      -9.6988      1.00000
     62      -9.6473      1.00000
     63      -9.3530      1.00000
     64      -9.3516      1.00000
     65      -9.3180      1.00000
     66      -9.0283      1.00000
     67      -8.9619      1.00000
     68      -8.9581      1.00000
     69      -8.7758      1.00000
     70      -8.5917      1.00000
     71      -8.5886      1.00000
     72      -8.4241      1.00000
     73      -8.3500      1.00000
     74      -8.3226      1.00000
     75      -8.3024      1.00000
     76      -8.2658      1.00000
     77      -8.2542      1.00000
     78      -8.2394      1.00000
     79      -7.9217      1.00000
     80      -7.7341      1.00000
     81      -7.3799      1.00000
     82      -7.3503      1.00000
     83      -7.3237      1.00000
     84      -7.2176      1.00000
     85      -7.1605      1.00000
     86      -7.0654      1.00000
     87      -6.9610      1.00000
     88      -6.9054      1.00000
     89      -6.6134      1.00000
     90      -6.5569      1.00000
     91      -6.2710      1.00000
     92      -5.9968      1.00000
     93      -5.9596      1.00000
     94      -5.6754      1.00000
     95      -5.6488      1.00000
     96      -5.3875      1.00000
     97      -5.3152      1.00000
     98      -5.2941      1.00000
     99      -5.2121      1.00000
    100      -5.2005      1.00000
    101      -4.5115      1.00000
    102      -4.3388      1.00000
    103      -3.9965      1.00000
    104      -3.8860      1.00000
    105      -3.7929      1.00000
    106      -3.4433      1.00000
    107      -2.0345      0.00000
    108      -1.8634      0.00000
    109      -1.2176      0.00000
    110      -1.1842      0.00000
    111      -1.0358      0.00000
    112      -0.7722      0.00000
    113      -0.6773      0.00000
    114      -0.6599      0.00000
    115      -0.6097      0.00000
    116      -0.1017      0.00000
    117       0.2226      0.00000
    118       0.2397      0.00000
    119       0.7698      0.00000
    120       0.9841      0.00000
    121       1.0739      0.00000
    122       1.2416      0.00000
    123       1.2511      0.00000
    124       1.3410      0.00000
    125       1.5786      0.00000
    126       1.5852      0.00000
    127       1.7028      0.00000
    128       1.7989      0.00000
    129       1.9468      0.00000
    130       1.9626      0.00000
    131       2.0863      0.00000
    132       2.2956      0.00000
    133       2.3425      0.00000
    134       2.4166      0.00000
    135       2.5445      0.00000
    136       2.6295      0.00000
    137       2.7681      0.00000
    138       2.8319      0.00000
    139       2.8437      0.00000
    140       2.8692      0.00000
    141       3.0497      0.00000
    142       3.1009      0.00000
    143       3.1533      0.00000
    144       3.2228      0.00000
    145       3.3751      0.00000
    146       3.4147      0.00000
    147       3.5058      0.00000
    148       3.5531      0.00000
    149       3.5908      0.00000
    150       3.6124      0.00000
    151       3.6495      0.00000
    152       3.7360      0.00000
    153       3.7455      0.00000
    154       3.7795      0.00000
    155       3.8187      0.00000
    156       3.8779      0.00000
    157       4.0222      0.00000
    158       4.0871      0.00000
    159       4.1700      0.00000
    160       4.2130      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0417   -7.3901    4.1982   -1.2758   -0.2386   17.5938    0.1473   -0.5324    0.6338   -0.4648
x    -3.0926   -0.0374   -0.0631    0.0616   -0.0091   -2.9773   -0.0109   -0.0070    0.0049    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0417    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0940   -0.0087    0.0374    0.0377
y    -0.0458   -3.2478   -0.5380   -0.1636   -1.1810   -0.6054
z   204.0417    1.1260   -0.2804    0.0408    0.0090    0.0616    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0777    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1654
z    -0.2831    0.1873   -0.0390    0.0470   -0.1050    0.0013
 total charge-density along one line
x   212.0000  -10.2204    6.1463   -2.0858   -0.4744   19.5111   -0.9959    0.4742   -0.0449   -0.1261
x    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2204    6.1463   -2.0858   -0.4744   19.5112   -0.9959    0.4742   -0.0449   -0.1261
y    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4925  189.2923 -170.3678  153.6507 -139.4373  125.4334 -110.1198   93.9731  -78.3592
z    64.1499  -51.4976   40.4325  -31.2272   24.1310  -18.9484   15.0349  -11.7219    8.7173   -6.1226
z     4.1323   -2.7605    1.8231   -1.1123    0.5408   -0.1279   -0.1105    0.2273   -0.3090    0.4000
z    -0.4767    0.4932   -0.4398    0.3547   -0.2860    0.2512   -0.2335    0.2088   -0.1709    0.1317
z    -0.1037    0.0880   -0.0768    0.0637   -0.0490    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0074    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.030   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.585  -0.238   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.368  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.263   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.261   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.649
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.781   0.000   2.640
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.783   0.000   2.647
 28        0.864   1.785   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.785   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.646
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.860   1.781   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.649
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.870  89.435   8.029 142.334
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  114.11: CPU time   57.62
    FORLOC:  VPU time    1.24: CPU time    1.25
    FORNL :  VPU time  440.67: CPU time  223.94
    STRESS:  VPU time 1319.80: CPU time  666.35
    FORCOR:  VPU time    8.68: CPU time    8.68
    FORHAR:  VPU time    2.27: CPU time    2.27
    MIXING:  VPU time    0.19: CPU time    0.18
 d Force =-0.5212961E-09[-0.521E-09,-0.521E-09]  d Energy = 0.2679371E-08-0.320E-08
 d Force =-0.3118325E-04[-0.312E-04,-0.312E-04]  d Ewald  = 0.2769394E-03-0.308E-03


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726418 eV

  energy  without entropy=     -471.726418  energy(sigma->0) =     -471.726418
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40850.02  40804.52 -47548.84    -39.40      0.00      0.00
  Hartree  40274.04  40254.95 -39532.79    -16.53      0.00      0.00
  E(xc)     -779.46   -779.75   -807.39     -0.25      0.00      0.00
  Local   -83408.04 -83352.48  84396.36     48.11      0.00      0.00
  n-local   -216.85   -215.73   -203.41      0.70      0.00      0.00
  augment     20.05     22.04     17.81      1.73      0.00      0.00
  Kinetic   3162.58   3176.29   3584.10      3.52      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.00      0.05     -0.22      0.04      0.00      0.00
  in kB        0.00      0.03     -0.13      0.02      0.00      0.00
  external pressure =       -0.03 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345139592  0.000690032  0.000000000     0.081000926  0.046759937  0.000000000
    -6.171978853 10.691545594  0.000000000    -0.000005228  0.093528828  0.000000000
     0.000000000  0.000000000 19.986394566     0.000000000  0.000000000  0.050034037

  length of vectors
    12.345139611 12.345139536 19.986394566     0.093528828  0.093528829  0.050034037


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.477E-05 -.490E-04 -.951E+03   0.448E-05 -.278E-04 0.960E+03   -.677E-20 0.170E-20 -.869E+01   -.555E-10 0.414E-10 -.316E-04
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   -.251E-05 0.704E-06 -.395E-06
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   0.251E-05 -.704E-06 -.395E-06
   -.206E+01 0.119E+01 0.163E+02   0.206E+01 -.119E+01 -.162E+02   -.327E-02 0.189E-02 -.242E-01   0.689E-06 -.337E-05 0.304E-05
   0.616E+01 0.684E+01 0.194E+02   -.616E+01 -.686E+01 -.193E+02   0.844E-03 0.215E-01 -.272E-01   -.243E-05 -.445E-06 0.316E-05
   0.112E+02 0.510E+01 0.162E+02   -.112E+02 -.510E+01 -.161E+02   0.202E-01 0.844E-02 -.479E-01   -.405E-05 0.141E-05 0.592E-05
   0.471E+01 -.883E+00 0.126E+02   -.473E+01 0.892E+00 -.126E+02   0.146E-01 -.735E-02 -.175E-01   -.190E-05 -.235E-05 0.838E-05
   -.308E+01 -.252E+01 0.126E+02   0.308E+01 0.252E+01 -.126E+02   -.140E-02 0.273E-02 -.130E-01   0.103E-05 -.524E-05 0.525E-05
   0.645E+00 0.393E+01 0.126E+02   -.646E+00 -.393E+01 -.126E+02   -.307E-02 -.155E-03 -.130E-01   -.486E-06 -.445E-05 0.198E-05
   0.242E+01 0.189E+02 0.240E+02   -.242E+01 -.190E+02 -.240E+02   -.233E-02 0.103E+00 -.486E-01   -.125E-05 -.460E-05 0.119E-05
   0.226E+02 0.214E+02 0.423E+02   -.227E+02 -.216E+02 -.422E+02   0.771E-01 0.262E+00 -.607E-01   -.626E-05 -.290E-05 0.907E-06
   0.268E+02 -.343E+01 0.256E+02   -.271E+02 0.355E+01 -.256E+02   0.269E+00 -.109E+00 -.338E-01   -.835E-05 -.183E-05 0.433E-05
   0.914E+01 -.527E+01 0.136E+02   -.918E+01 0.530E+01 -.136E+02   0.422E-01 -.244E-01 -.121E-01   -.376E-05 -.425E-05 0.380E-05
   0.312E+01 -.364E+01 0.126E+02   -.314E+01 0.365E+01 -.126E+02   0.137E-01 -.899E-02 -.175E-01   -.115E-05 -.147E-05 0.811E-06
   -.593E+01 0.136E+02 0.161E+02   0.593E+01 -.137E+02 -.161E+02   -.114E-02 0.715E-01 -.520E-01   0.200E-05 -.269E-05 0.450E-06
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.315E-01 0.613E+00 0.294E+00   0.275E-05 -.512E-05 -.339E-05
   0.236E+02 -.136E+02 0.940E+02   -.243E+02 0.140E+02 -.961E+02   0.636E+00 -.367E+00 0.205E+01   -.464E-05 0.735E-08 -.662E-05
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.229E+00 -.178E+00 -.338E-01   -.486E-05 0.401E-06 -.359E-07
   0.119E+01 -.122E+02 0.162E+02   -.119E+01 0.123E+02 -.161E+02   0.280E-02 -.217E-01 -.479E-01   -.352E-07 0.167E-05 0.968E-06
   -.414E+01 0.192E+01 0.116E+02   0.414E+01 -.193E+01 -.116E+02   -.268E-03 0.997E-02 -.439E-01   0.196E-05 0.128E-05 0.189E-05
   -.193E+02 0.111E+02 0.217E+02   0.193E+02 -.112E+02 -.217E+02   -.506E-01 0.292E-01 -.433E-01   0.633E-05 0.107E-06 0.290E-05
   -.373E+02 -.785E+01 0.478E+02   0.378E+02 0.813E+01 -.481E+02   -.546E+00 -.279E+00 0.294E+00   0.912E-05 -.544E-06 -.586E-06
   -.718E+01 -.303E+02 0.423E+02   0.736E+01 0.305E+02 -.422E+02   -.188E+00 -.198E+00 -.607E-01   0.263E-05 0.234E-05 -.796E-06
   -.285E+01 -.876E+01 0.194E+02   0.286E+01 0.877E+01 -.193E+02   -.182E-01 -.115E-01 -.272E-01   0.101E-05 0.416E-06 0.250E-05
   0.139E+01 -.801E+00 0.134E+02   -.139E+01 0.803E+00 -.134E+02   0.124E-03 -.715E-04 -.179E-01   -.197E-06 0.225E-05 0.328E-05
   -.374E+01 0.263E+01 0.116E+02   0.374E+01 -.262E+01 -.116E+02   -.877E-02 -.475E-02 -.439E-01   0.174E-05 0.247E-05 0.618E-05
   -.148E+02 -.169E+01 0.161E+02   0.148E+02 0.172E+01 -.161E+02   -.625E-01 -.347E-01 -.520E-01   0.520E-05 -.190E-05 0.737E-05
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.905E-01 -.495E-01 -.486E-01   0.520E-05 -.193E-05 0.380E-05
   0.285E+01 0.876E+01 0.194E+02   -.286E+01 -.877E+01 -.193E+02   0.182E-01 0.115E-01 -.272E-01   -.101E-05 -.416E-06 0.250E-05
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.905E-01 0.495E-01 -.486E-01   -.520E-05 0.193E-05 0.380E-05
   0.148E+02 0.169E+01 0.161E+02   -.148E+02 -.172E+01 -.161E+02   0.625E-01 0.347E-01 -.520E-01   -.520E-05 0.190E-05 0.737E-05
   0.374E+01 -.262E+01 0.116E+02   -.374E+01 0.262E+01 -.116E+02   0.877E-02 0.475E-02 -.439E-01   -.174E-05 -.247E-05 0.618E-05
   -.139E+01 0.801E+00 0.134E+02   0.139E+01 -.803E+00 -.134E+02   -.124E-03 0.715E-04 -.179E-01   0.197E-06 -.225E-05 0.328E-05
   -.119E+01 0.122E+02 0.162E+02   0.119E+01 -.123E+02 -.161E+02   -.280E-02 0.217E-01 -.479E-01   0.352E-07 -.167E-05 0.968E-06
   0.718E+01 0.303E+02 0.423E+02   -.736E+01 -.305E+02 -.422E+02   0.188E+00 0.198E+00 -.607E-01   -.263E-05 -.234E-05 -.796E-06
   0.373E+02 0.785E+01 0.478E+02   -.378E+02 -.813E+01 -.481E+02   0.546E+00 0.279E+00 0.294E+00   -.912E-05 0.544E-06 -.586E-06
   0.193E+02 -.111E+02 0.217E+02   -.193E+02 0.112E+02 -.217E+02   0.506E-01 -.292E-01 -.433E-01   -.633E-05 -.107E-06 0.290E-05
   0.414E+01 -.192E+01 0.116E+02   -.414E+01 0.193E+01 -.116E+02   0.268E-03 -.997E-02 -.439E-01   -.196E-05 -.128E-05 0.189E-05
   -.312E+01 0.364E+01 0.126E+02   0.314E+01 -.365E+01 -.126E+02   -.137E-01 0.899E-02 -.175E-01   0.115E-05 0.147E-05 0.811E-06
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.229E+00 0.178E+00 -.338E-01   0.486E-05 -.401E-06 -.359E-07
   -.236E+02 0.136E+02 0.940E+02   0.243E+02 -.140E+02 -.961E+02   -.636E+00 0.367E+00 0.205E+01   0.464E-05 -.731E-08 -.662E-05
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.315E-01 -.613E+00 0.294E+00   -.275E-05 0.512E-05 -.339E-05
   0.593E+01 -.136E+02 0.161E+02   -.593E+01 0.137E+02 -.161E+02   0.114E-02 -.715E-01 -.520E-01   -.200E-05 0.269E-05 0.450E-06
   -.645E+00 -.393E+01 0.126E+02   0.646E+00 0.393E+01 -.126E+02   0.307E-02 0.155E-03 -.130E-01   0.486E-06 0.445E-05 0.198E-05
   -.914E+01 0.527E+01 0.136E+02   0.918E+01 -.530E+01 -.136E+02   -.422E-01 0.244E-01 -.121E-01   0.376E-05 0.425E-05 0.380E-05
   -.268E+02 0.343E+01 0.256E+02   0.271E+02 -.355E+01 -.256E+02   -.269E+00 0.109E+00 -.338E-01   0.835E-05 0.183E-05 0.433E-05
   -.226E+02 -.214E+02 0.423E+02   0.227E+02 0.216E+02 -.422E+02   -.771E-01 -.262E+00 -.607E-01   0.626E-05 0.290E-05 0.907E-06
   -.242E+01 -.189E+02 0.240E+02   0.242E+01 0.190E+02 -.240E+02   0.233E-02 -.103E+00 -.486E-01   0.125E-05 0.460E-05 0.119E-05
   0.206E+01 -.119E+01 0.163E+02   -.206E+01 0.119E+01 -.162E+02   0.327E-02 -.189E-02 -.242E-01   -.689E-06 0.337E-05 0.304E-05
   0.308E+01 0.252E+01 0.126E+02   -.308E+01 -.252E+01 -.126E+02   0.140E-02 -.273E-02 -.130E-01   -.103E-05 0.524E-05 0.525E-05
   -.471E+01 0.883E+00 0.126E+02   0.473E+01 -.892E+00 -.126E+02   -.146E-01 0.735E-02 -.175E-01   0.190E-05 0.235E-05 0.838E-05
   -.112E+02 -.510E+01 0.162E+02   0.112E+02 0.510E+01 -.161E+02   -.202E-01 -.844E-02 -.479E-01   0.405E-05 -.141E-05 0.592E-05
   -.616E+01 -.684E+01 0.194E+02   0.616E+01 0.686E+01 -.193E+02   -.844E-03 -.215E-01 -.272E-01   0.243E-05 0.445E-06 0.316E-05
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.289E-03 0.101E+02   0.385E-12 0.799E-13 -.302E-12   0.106E-15 -.486E-16 -.100E+02   -.291E-10 0.367E-10 0.809E-04
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85211      6.05884     12.26471         0.000000      0.000000      0.019023
      1.07497      6.50752     13.52421         0.001551     -0.000895      0.008859
      2.62924      5.61016     13.52421        -0.001551      0.000895      0.008859
      0.00015     -0.00009      9.91082        -0.002290      0.001322      0.000104
     -1.23474      2.13683      9.90948        -0.000406      0.001549      0.000054
     -2.46994      4.27634      9.92946        -0.002698      0.002253     -0.000361
     -3.70363      6.41501      9.93717        -0.002031      0.001458     -0.000853
     -4.93735      8.55322      9.92774        -0.004139      0.002117     -0.000482
      2.46916     -0.00006      9.92774        -0.003903      0.002526     -0.000482
      1.23392      2.13662      9.91901        -0.003395      0.001396     -0.001212
     -0.00265      4.27071      9.93152        -0.003658      0.003435     -0.002354
     -1.23832      6.41562      9.95362        -0.000257      0.001292     -0.001109
     -2.46890      8.55357      9.93904        -0.001093      0.000631      0.000609
      4.93776      0.00062      9.93717        -0.002278      0.001030     -0.000853
      3.70409      2.13669      9.94047        -0.001510     -0.000558     -0.001267
      2.46985      4.26841      9.96807        -0.003476      0.000963     -0.002326
      1.22909      6.41854      9.97430        -0.004661      0.002691      0.001554
     -0.00209      8.55684      9.95362        -0.001248     -0.000423     -0.001109
      7.40675      0.00155      9.92946        -0.003301      0.001210     -0.000361
      6.17243      2.13877      9.93579        -0.002976      0.001750     -0.000530
      4.93890      4.27668      9.94852         0.000470     -0.000272     -0.000055
      3.71153      6.41908      9.96807        -0.002572      0.002529     -0.002326
      2.47330      8.55917      9.93152        -0.004804      0.001450     -0.002354
      9.87722      0.00159      9.90948        -0.001544     -0.000423      0.000054
      8.64160      2.13893      9.92067        -0.003155      0.001821      0.000302
      7.40715      4.27737      9.93579        -0.003003      0.001703     -0.000530
      6.17478      6.41605      9.94047        -0.000272      0.001587     -0.001267
      4.93975      8.55531      9.91901        -0.002906      0.002242     -0.001212
     -0.00103      1.42455      9.90948         0.001544      0.000423      0.000054
     -1.23554      3.56237      9.91901         0.002906     -0.002242     -0.001212
     -2.47057      5.70163      9.94047         0.000272     -0.001587     -0.001267
     -3.70294      7.84032      9.93579         0.003003     -0.001703     -0.000530
     -4.93739      9.97876      9.92067         0.003155     -0.001821      0.000302
      2.46945      1.42459      9.92946         0.003301     -0.001210     -0.000361
      1.23091      3.55851      9.93152         0.004804     -0.001450     -0.002354
     -0.00732      5.69860      9.96807         0.002572     -0.002529     -0.002326
     -1.23469      7.84100      9.94852        -0.000470      0.000272     -0.000055
     -2.46822      9.97891      9.93579         0.002976     -0.001750     -0.000530
      4.93843      1.42552      9.93717         0.002278     -0.001030     -0.000853
      3.70630      3.56084      9.95362         0.001248      0.000423     -0.001109
      2.47512      5.69914      9.97430         0.004661     -0.002691      0.001554
      1.23437      7.84927      9.96807         0.003476     -0.000963     -0.002326
      0.00012      9.98099      9.94047         0.001510      0.000558     -0.001267
      7.40703      1.42620      9.92774         0.003903     -0.002526     -0.000482
      6.17311      3.56411      9.93904         0.001093     -0.000631      0.000609
      4.94253      5.70206      9.95362         0.000257     -0.001292     -0.001109
      3.70686      7.84698      9.93152         0.003658     -0.003435     -0.002354
      2.47029      9.98106      9.91901         0.003395     -0.001396     -0.001212
      9.87604      1.42622      9.91082         0.002290     -0.001322      0.000104
      8.64156      3.56447      9.92774         0.004139     -0.002117     -0.000482
      7.40784      5.70267      9.93717         0.002031     -0.001458     -0.000853
      6.17415      7.84134      9.92946         0.002698     -0.002253     -0.000361
      4.93895      9.98086      9.90948         0.000406     -0.001549      0.000054
 -----------------------------------------------------------------------------------
    total drift:                               -0.001802      0.000289      0.015456


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.95: CPU time    1.95
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.34: CPU time    1.34
    ORTHCH:  VPU time  183.15: CPU time   91.90
     LOOP+:  VPU time 4584.63: CPU time 2366.72


----------------------------------------- Iteration   38(   1)  ---------------------------------------


    POTLOK:  VPU time    9.22: CPU time    9.09
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 1167.29: CPU time  601.68
 BZINTS: Fermi energy: -3.184617;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.49: CPU time   58.16
    MIXING:  VPU time    0.16: CPU time    0.17
    ------------------------------------------
      LOOP:  VPU time 1292.57: CPU time  669.46

 eigenvalue-minimisations  :  3072
 total energy-change (2. order) :-0.4717264E+03  ( 0.3079113E-08)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583397 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.12781E-05    rms(broyden)= 0.12780E-05
  rms(prec ) = 0.16898E-05
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34105.72051371
  -1/2 Hartree   DENC   =    -40996.19840107
  -V(xc)+E(xc)   XCENC  =       726.60483330
  PAW double counting   =      4094.27119313    -4132.61905407
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.94535620
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641759 eV

  energy without entropy =     -471.72641759  energy(sigma->0) =     -471.72641759


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   38(   2)  ---------------------------------------


    POTLOK:  VPU time    9.19: CPU time    9.19
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1167.65: CPU time  606.16
 BZINTS: Fermi energy: -3.184600;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1177.26: CPU time  615.72

 eigenvalue-minimisations  :  3104
 total energy-change (2. order) :-0.8240022E-09  ( 0.3075548E-08)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583397 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34105.72051371
  -1/2 Hartree   DENC   =    -40996.19820336
  -V(xc)+E(xc)   XCENC  =       726.60483148
  PAW double counting   =      4094.27121282    -4132.61907396
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.94555187
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641759 eV

  energy without entropy =     -471.72641759  energy(sigma->0) =     -471.72641759


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2180       2 -39.5363       3 -39.5363       4 -58.3139       5 -58.3178
       6 -58.3203       7 -58.3149       8 -58.3152       9 -58.3152      10 -58.3217
      11 -58.3878      12 -58.3518      13 -58.3232      14 -58.3149      15 -58.3247
      16 -58.5428      17 -58.7298      18 -58.3518      19 -58.3203      20 -58.3200
      21 -58.3579      22 -58.5428      23 -58.3879      24 -58.3178      25 -58.3231
      26 -58.3200      27 -58.3247      28 -58.3217      29 -58.3177      30 -58.3216
      31 -58.3246      32 -58.3199      33 -58.3230      34 -58.3202      35 -58.3877
      36 -58.5427      37 -58.3578      38 -58.3199      39 -58.3148      40 -58.3517
      41 -58.7297      42 -58.5427      43 -58.3246      44 -58.3151      45 -58.3230
      46 -58.3517      47 -58.3878      48 -58.3216      49 -58.3138      50 -58.3151
      51 -58.3148      52 -58.3202      53 -58.3177
 
 
 
 E-fermi :  -3.1846     XC(G=0):  -2.3410     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4276      1.00000
      2     -21.6044      1.00000
      3     -21.4827      1.00000
      4     -21.4736      1.00000
      5     -21.4420      1.00000
      6     -21.4412      1.00000
      7     -21.4311      1.00000
      8     -19.7085      1.00000
      9     -19.6536      1.00000
     10     -19.6303      1.00000
     11     -19.6193      1.00000
     12     -19.6140      1.00000
     13     -19.6130      1.00000
     14     -18.7907      1.00000
     15     -18.7555      1.00000
     16     -18.7357      1.00000
     17     -18.7262      1.00000
     18     -18.7190      1.00000
     19     -18.7137      1.00000
     20     -16.6354      1.00000
     21     -16.6096      1.00000
     22     -16.5852      1.00000
     23     -16.5818      1.00000
     24     -16.5548      1.00000
     25     -16.5531      1.00000
     26     -15.6154      1.00000
     27     -15.6027      1.00000
     28     -15.5994      1.00000
     29     -15.5653      1.00000
     30     -15.5636      1.00000
     31     -15.5627      1.00000
     32     -14.2604      1.00000
     33     -14.2511      1.00000
     34     -14.2411      1.00000
     35     -14.2361      1.00000
     36     -14.2229      1.00000
     37     -14.2200      1.00000
     38     -11.9061      1.00000
     39     -11.8791      1.00000
     40     -11.8680      1.00000
     41     -11.8658      1.00000
     42     -11.8451      1.00000
     43     -11.8449      1.00000
     44     -11.7716      1.00000
     45     -11.7689      1.00000
     46     -11.7362      1.00000
     47     -11.7295      1.00000
     48     -11.7253      1.00000
     49     -11.7229      1.00000
     50     -10.6767      1.00000
     51     -10.3891      1.00000
     52     -10.3840      1.00000
     53     -10.3771      1.00000
     54     -10.3693      1.00000
     55     -10.3560      1.00000
     56     -10.3539      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4060      1.00000
     60      -9.3630      1.00000
     61      -9.3624      1.00000
     62      -9.3546      1.00000
     63      -9.1426      1.00000
     64      -9.1220      1.00000
     65      -9.1213      1.00000
     66      -9.0849      1.00000
     67      -9.0720      1.00000
     68      -9.0714      1.00000
     69      -9.0712      1.00000
     70      -9.0643      1.00000
     71      -9.0642      1.00000
     72      -9.0385      1.00000
     73      -9.0290      1.00000
     74      -9.0258      1.00000
     75      -8.1301      1.00000
     76      -7.7458      1.00000
     77      -7.4688      1.00000
     78      -7.4667      1.00000
     79      -7.4539      1.00000
     80      -7.4342      1.00000
     81      -7.4247      1.00000
     82      -7.4066      1.00000
     83      -7.3130      1.00000
     84      -7.2713      1.00000
     85      -7.2576      1.00000
     86      -7.2491      1.00000
     87      -7.1508      1.00000
     88      -7.0494      1.00000
     89      -6.4464      1.00000
     90      -6.4161      1.00000
     91      -6.4005      1.00000
     92      -6.3638      1.00000
     93      -6.3531      1.00000
     94      -6.3408      1.00000
     95      -5.9585      1.00000
     96      -5.9582      1.00000
     97      -4.8064      1.00000
     98      -4.5444      1.00000
     99      -4.4815      1.00000
    100      -4.4744      1.00000
    101      -4.3823      1.00000
    102      -4.3817      1.00000
    103      -4.2678      1.00000
    104      -4.1873      1.00000
    105      -3.7393      1.00000
    106      -3.4776      1.00000
    107      -1.8619      0.00000
    108      -1.6706      0.00000
    109      -1.6241      0.00000
    110      -1.5913      0.00000
    111      -1.5759      0.00000
    112      -1.5749      0.00000
    113      -0.4289      0.00000
    114       0.1458      0.00000
    115       0.1920      0.00000
    116       0.2556      0.00000
    117       0.2675      0.00000
    118       0.2714      0.00000
    119       0.4771      0.00000
    120       0.5480      0.00000
    121       1.2482      0.00000
    122       1.2900      0.00000
    123       1.5383      0.00000
    124       1.7714      0.00000
    125       1.7741      0.00000
    126       1.7747      0.00000
    127       1.8006      0.00000
    128       1.8298      0.00000
    129       1.9586      0.00000
    130       1.9691      0.00000
    131       1.9745      0.00000
    132       1.9893      0.00000
    133       1.9964      0.00000
    134       2.0790      0.00000
    135       2.2508      0.00000
    136       2.3471      0.00000
    137       2.6112      0.00000
    138       2.6129      0.00000
    139       2.6401      0.00000
    140       2.7159      0.00000
    141       2.9361      0.00000
    142       3.0489      0.00000
    143       3.0639      0.00000
    144       3.1008      0.00000
    145       3.1017      0.00000
    146       3.1079      0.00000
    147       3.1093      0.00000
    148       3.2795      0.00000
    149       3.4529      0.00000
    150       3.5096      0.00000
    151       3.8271      0.00000
    152       3.9612      0.00000
    153       3.9645      0.00000
    154       3.9674      0.00000
    155       3.9752      0.00000
    156       4.0005      0.00000
    157       4.1891      0.00000
    158       4.2626      0.00000
    159       4.2757      0.00000
    160       4.2840      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8318      1.00000
      3     -21.6395      1.00000
      4     -21.6116      1.00000
      5     -21.2759      1.00000
      6     -21.2365      1.00000
      7     -21.0581      1.00000
      8     -20.1688      1.00000
      9     -20.1306      1.00000
     10     -19.6096      1.00000
     11     -19.5986      1.00000
     12     -19.4182      1.00000
     13     -19.0906      1.00000
     14     -19.0609      1.00000
     15     -19.0498      1.00000
     16     -19.0424      1.00000
     17     -18.3615      1.00000
     18     -18.3531      1.00000
     19     -18.0198      1.00000
     20     -17.0698      1.00000
     21     -17.0311      1.00000
     22     -16.9445      1.00000
     23     -16.9406      1.00000
     24     -16.4685      1.00000
     25     -16.4638      1.00000
     26     -15.6149      1.00000
     27     -15.6081      1.00000
     28     -15.2533      1.00000
     29     -15.2442      1.00000
     30     -15.1854      1.00000
     31     -15.0986      1.00000
     32     -15.0717      1.00000
     33     -14.6992      1.00000
     34     -14.6972      1.00000
     35     -13.7271      1.00000
     36     -13.7245      1.00000
     37     -13.2362      1.00000
     38     -12.6146      1.00000
     39     -12.5844      1.00000
     40     -12.4549      1.00000
     41     -12.4513      1.00000
     42     -12.1097      1.00000
     43     -12.1051      1.00000
     44     -11.7179      1.00000
     45     -11.6870      1.00000
     46     -11.2355      1.00000
     47     -11.2262      1.00000
     48     -11.0182      1.00000
     49     -11.0102      1.00000
     50     -10.9272      1.00000
     51     -10.9058      1.00000
     52     -10.6317      1.00000
     53     -10.1554      1.00000
     54     -10.1513      1.00000
     55     -10.0921      1.00000
     56      -9.9990      1.00000
     57      -9.7033      1.00000
     58      -9.6953      1.00000
     59      -9.6565      1.00000
     60      -9.5922      1.00000
     61      -9.5771      1.00000
     62      -9.5591      1.00000
     63      -9.3074      1.00000
     64      -9.3036      1.00000
     65      -9.2746      1.00000
     66      -9.2370      1.00000
     67      -9.1373      1.00000
     68      -9.1154      1.00000
     69      -9.1117      1.00000
     70      -8.9402      1.00000
     71      -8.8725      1.00000
     72      -8.6046      1.00000
     73      -8.5911      1.00000
     74      -8.2368      1.00000
     75      -8.1006      1.00000
     76      -7.9135      1.00000
     77      -7.8641      1.00000
     78      -7.7719      1.00000
     79      -7.7570      1.00000
     80      -7.6923      1.00000
     81      -7.5607      1.00000
     82      -7.3390      1.00000
     83      -7.3229      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0125      1.00000
     88      -6.7047      1.00000
     89      -6.6784      1.00000
     90      -6.6413      1.00000
     91      -6.5979      1.00000
     92      -6.1159      1.00000
     93      -6.0624      1.00000
     94      -6.0313      1.00000
     95      -6.0116      1.00000
     96      -5.7835      1.00000
     97      -4.9745      1.00000
     98      -4.8322      1.00000
     99      -4.7471      1.00000
    100      -4.6795      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1720      1.00000
    104      -4.1280      1.00000
    105      -3.7296      1.00000
    106      -3.4878      1.00000
    107      -1.8704      0.00000
    108      -1.8089      0.00000
    109      -1.5244      0.00000
    110      -1.3776      0.00000
    111      -1.3214      0.00000
    112      -1.2880      0.00000
    113      -0.7199      0.00000
    114      -0.3760      0.00000
    115      -0.2499      0.00000
    116       0.0369      0.00000
    117       0.5559      0.00000
    118       0.6985      0.00000
    119       0.7464      0.00000
    120       1.0480      0.00000
    121       1.1000      0.00000
    122       1.1498      0.00000
    123       1.2274      0.00000
    124       1.3779      0.00000
    125       1.5241      0.00000
    126       1.5840      0.00000
    127       1.7156      0.00000
    128       1.8156      0.00000
    129       1.8581      0.00000
    130       1.8818      0.00000
    131       2.0968      0.00000
    132       2.1874      0.00000
    133       2.2419      0.00000
    134       2.3075      0.00000
    135       2.5148      0.00000
    136       2.5902      0.00000
    137       2.6436      0.00000
    138       2.7805      0.00000
    139       2.7982      0.00000
    140       2.8273      0.00000
    141       2.8620      0.00000
    142       2.9023      0.00000
    143       2.9445      0.00000
    144       3.0826      0.00000
    145       3.1549      0.00000
    146       3.3200      0.00000
    147       3.3862      0.00000
    148       3.4318      0.00000
    149       3.4707      0.00000
    150       3.6215      0.00000
    151       3.6483      0.00000
    152       3.6722      0.00000
    153       3.7166      0.00000
    154       3.9138      0.00000
    155       3.9627      0.00000
    156       4.0182      0.00000
    157       4.0689      0.00000
    158       4.2418      0.00000
    159       4.2541      0.00000
    160       4.2774      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2849      1.00000
      2     -22.0793      1.00000
      3     -21.7179      1.00000
      4     -21.6861      1.00000
      5     -20.9806      1.00000
      6     -20.9400      1.00000
      7     -20.6130      1.00000
      8     -20.5763      1.00000
      9     -20.5701      1.00000
     10     -20.0337      1.00000
     11     -19.5044      1.00000
     12     -19.4927      1.00000
     13     -19.3078      1.00000
     14     -19.3026      1.00000
     15     -18.4486      1.00000
     16     -18.4119      1.00000
     17     -17.9231      1.00000
     18     -17.9137      1.00000
     19     -17.7624      1.00000
     20     -17.7266      1.00000
     21     -17.4366      1.00000
     22     -17.4292      1.00000
     23     -17.3416      1.00000
     24     -16.4635      1.00000
     25     -16.4624      1.00000
     26     -15.9678      1.00000
     27     -15.4151      1.00000
     28     -15.4096      1.00000
     29     -15.0973      1.00000
     30     -15.0939      1.00000
     31     -14.8556      1.00000
     32     -14.8479      1.00000
     33     -14.2908      1.00000
     34     -14.2580      1.00000
     35     -13.4371      1.00000
     36     -13.4046      1.00000
     37     -13.1780      1.00000
     38     -13.1746      1.00000
     39     -12.9826      1.00000
     40     -12.9777      1.00000
     41     -12.6134      1.00000
     42     -12.6103      1.00000
     43     -12.1981      1.00000
     44     -11.5771      1.00000
     45     -11.5434      1.00000
     46     -11.3112      1.00000
     47     -11.2884      1.00000
     48     -11.1423      1.00000
     49     -10.6768      1.00000
     50     -10.6607      1.00000
     51     -10.5537      1.00000
     52     -10.3238      1.00000
     53     -10.3181      1.00000
     54     -10.1700      1.00000
     55     -10.1157      1.00000
     56     -10.1130      1.00000
     57      -9.7988      1.00000
     58      -9.7652      1.00000
     59      -9.7524      1.00000
     60      -9.7004      1.00000
     61      -9.6973      1.00000
     62      -9.6627      1.00000
     63      -9.3546      1.00000
     64      -9.3518      1.00000
     65      -9.3159      1.00000
     66      -9.0415      1.00000
     67      -8.9624      1.00000
     68      -8.9499      1.00000
     69      -8.8000      1.00000
     70      -8.5952      1.00000
     71      -8.5581      1.00000
     72      -8.3988      1.00000
     73      -8.3653      1.00000
     74      -8.3247      1.00000
     75      -8.3073      1.00000
     76      -8.2590      1.00000
     77      -8.2574      1.00000
     78      -8.2366      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3866      1.00000
     83      -7.3495      1.00000
     84      -7.2310      1.00000
     85      -7.0967      1.00000
     86      -7.0391      1.00000
     87      -6.9342      1.00000
     88      -6.8483      1.00000
     89      -6.6127      1.00000
     90      -6.5588      1.00000
     91      -6.2698      1.00000
     92      -6.0440      1.00000
     93      -5.9518      1.00000
     94      -5.6629      1.00000
     95      -5.6228      1.00000
     96      -5.4633      1.00000
     97      -5.3201      1.00000
     98      -5.2790      1.00000
     99      -5.2140      1.00000
    100      -5.1940      1.00000
    101      -4.5085      1.00000
    102      -4.2077      1.00000
    103      -4.0593      1.00000
    104      -3.9892      1.00000
    105      -3.6944      1.00000
    106      -3.4980      1.00000
    107      -1.9463      0.00000
    108      -1.8963      0.00000
    109      -1.3390      0.00000
    110      -1.0849      0.00000
    111      -1.0582      0.00000
    112      -0.8003      0.00000
    113      -0.6776      0.00000
    114      -0.6468      0.00000
    115      -0.6072      0.00000
    116      -0.1080      0.00000
    117       0.2155      0.00000
    118       0.3291      0.00000
    119       0.6943      0.00000
    120       0.8877      0.00000
    121       1.1273      0.00000
    122       1.1992      0.00000
    123       1.3265      0.00000
    124       1.4211      0.00000
    125       1.5545      0.00000
    126       1.5764      0.00000
    127       1.6803      0.00000
    128       1.8085      0.00000
    129       1.8846      0.00000
    130       2.0566      0.00000
    131       2.1255      0.00000
    132       2.3282      0.00000
    133       2.3599      0.00000
    134       2.3963      0.00000
    135       2.5474      0.00000
    136       2.6316      0.00000
    137       2.7302      0.00000
    138       2.7602      0.00000
    139       2.8298      0.00000
    140       2.8841      0.00000
    141       3.0493      0.00000
    142       3.0597      0.00000
    143       3.1650      0.00000
    144       3.2657      0.00000
    145       3.3616      0.00000
    146       3.4163      0.00000
    147       3.4346      0.00000
    148       3.5682      0.00000
    149       3.5860      0.00000
    150       3.6033      0.00000
    151       3.6607      0.00000
    152       3.6760      0.00000
    153       3.7822      0.00000
    154       3.8031      0.00000
    155       3.8103      0.00000
    156       3.8955      0.00000
    157       3.9230      0.00000
    158       3.9954      0.00000
    159       4.2160      0.00000
    160       4.2270      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.9642      1.00000
      3     -21.8950      1.00000
      4     -21.3822      1.00000
      5     -21.3530      1.00000
      6     -20.8409      1.00000
      7     -20.7756      1.00000
      8     -20.6253      1.00000
      9     -20.0788      1.00000
     10     -20.0731      1.00000
     11     -19.7179      1.00000
     12     -19.6934      1.00000
     13     -18.9975      1.00000
     14     -18.9916      1.00000
     15     -18.6416      1.00000
     16     -18.6257      1.00000
     17     -18.4630      1.00000
     18     -17.6761      1.00000
     19     -17.6257      1.00000
     20     -17.6228      1.00000
     21     -17.5810      1.00000
     22     -17.1273      1.00000
     23     -17.1058      1.00000
     24     -16.9627      1.00000
     25     -16.0023      1.00000
     26     -15.9305      1.00000
     27     -15.5865      1.00000
     28     -15.5862      1.00000
     29     -15.2876      1.00000
     30     -14.8648      1.00000
     31     -14.8375      1.00000
     32     -14.5795      1.00000
     33     -14.5376      1.00000
     34     -14.1694      1.00000
     35     -14.1558      1.00000
     36     -13.1485      1.00000
     37     -13.1013      1.00000
     38     -13.0302      1.00000
     39     -13.0200      1.00000
     40     -12.7095      1.00000
     41     -12.7054      1.00000
     42     -12.3423      1.00000
     43     -12.3110      1.00000
     44     -11.6365      1.00000
     45     -11.6229      1.00000
     46     -11.5727      1.00000
     47     -10.9501      1.00000
     48     -10.9170      1.00000
     49     -10.6329      1.00000
     50     -10.6248      1.00000
     51     -10.5479      1.00000
     52     -10.5002      1.00000
     53     -10.4999      1.00000
     54     -10.4399      1.00000
     55     -10.3607      1.00000
     56     -10.1001      1.00000
     57      -9.9042      1.00000
     58      -9.6088      1.00000
     59      -9.5565      1.00000
     60      -9.4530      1.00000
     61      -9.4126      1.00000
     62      -9.4057      1.00000
     63      -9.3776      1.00000
     64      -9.3772      1.00000
     65      -9.2880      1.00000
     66      -9.1691      1.00000
     67      -9.1435      1.00000
     68      -9.1152      1.00000
     69      -8.8652      1.00000
     70      -8.8576      1.00000
     71      -8.8157      1.00000
     72      -8.5975      1.00000
     73      -8.4805      1.00000
     74      -8.1991      1.00000
     75      -8.1637      1.00000
     76      -8.0093      1.00000
     77      -7.9640      1.00000
     78      -7.8507      1.00000
     79      -7.8406      1.00000
     80      -7.7044      1.00000
     81      -7.6971      1.00000
     82      -7.6224      1.00000
     83      -7.4491      1.00000
     84      -7.3009      1.00000
     85      -7.2533      1.00000
     86      -6.9065      1.00000
     87      -6.8928      1.00000
     88      -6.5890      1.00000
     89      -6.5515      1.00000
     90      -6.4063      1.00000
     91      -6.2537      1.00000
     92      -6.2330      1.00000
     93      -6.2056      1.00000
     94      -6.0232      1.00000
     95      -5.5502      1.00000
     96      -5.4891      1.00000
     97      -5.3505      1.00000
     98      -5.2198      1.00000
     99      -4.9795      1.00000
    100      -4.7327      1.00000
    101      -4.6781      1.00000
    102      -4.3875      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5464      1.00000
    106      -3.5100      1.00000
    107      -2.2563      0.00000
    108      -1.4566      0.00000
    109      -1.3713      0.00000
    110      -1.2418      0.00000
    111      -1.0979      0.00000
    112      -0.9450      0.00000
    113      -0.8637      0.00000
    114      -0.8033      0.00000
    115      -0.1393      0.00000
    116       0.1111      0.00000
    117       0.2407      0.00000
    118       0.3776      0.00000
    119       0.6518      0.00000
    120       0.8359      0.00000
    121       0.9366      0.00000
    122       1.0639      0.00000
    123       1.2335      0.00000
    124       1.4483      0.00000
    125       1.5514      0.00000
    126       1.7664      0.00000
    127       1.7937      0.00000
    128       1.8754      0.00000
    129       1.9703      0.00000
    130       2.0451      0.00000
    131       2.1769      0.00000
    132       2.1947      0.00000
    133       2.4112      0.00000
    134       2.4629      0.00000
    135       2.5315      0.00000
    136       2.6043      0.00000
    137       2.6382      0.00000
    138       2.6960      0.00000
    139       2.7813      0.00000
    140       2.8357      0.00000
    141       2.9502      0.00000
    142       3.0860      0.00000
    143       3.2026      0.00000
    144       3.2119      0.00000
    145       3.2601      0.00000
    146       3.3275      0.00000
    147       3.3354      0.00000
    148       3.4684      0.00000
    149       3.5006      0.00000
    150       3.6986      0.00000
    151       3.7115      0.00000
    152       3.7275      0.00000
    153       3.8583      0.00000
    154       3.9145      0.00000
    155       3.9493      0.00000
    156       3.9813      0.00000
    157       4.0174      0.00000
    158       4.0344      0.00000
    159       4.0518      0.00000
    160       4.0723      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2119      1.00000
      2     -22.1189      1.00000
      3     -21.9582      1.00000
      4     -21.4057      1.00000
      5     -21.0511      1.00000
      6     -21.0151      1.00000
      7     -20.5019      1.00000
      8     -20.4625      1.00000
      9     -20.2961      1.00000
     10     -20.2768      1.00000
     11     -19.9587      1.00000
     12     -19.8930      1.00000
     13     -18.8836      1.00000
     14     -18.8148      1.00000
     15     -18.3538      1.00000
     16     -18.3076      1.00000
     17     -18.1540      1.00000
     18     -18.1368      1.00000
     19     -17.8277      1.00000
     20     -17.7901      1.00000
     21     -17.2525      1.00000
     22     -17.2425      1.00000
     23     -17.1655      1.00000
     24     -17.1337      1.00000
     25     -16.1110      1.00000
     26     -15.8865      1.00000
     27     -15.8712      1.00000
     28     -15.8350      1.00000
     29     -15.2371      1.00000
     30     -14.5559      1.00000
     31     -14.5280      1.00000
     32     -14.2808      1.00000
     33     -13.9645      1.00000
     34     -13.9570      1.00000
     35     -13.8209      1.00000
     36     -13.8051      1.00000
     37     -13.6154      1.00000
     38     -13.5716      1.00000
     39     -13.3710      1.00000
     40     -12.6354      1.00000
     41     -12.1816      1.00000
     42     -12.1336      1.00000
     43     -12.0730      1.00000
     44     -12.0207      1.00000
     45     -11.6701      1.00000
     46     -11.6566      1.00000
     47     -11.1395      1.00000
     48     -11.1189      1.00000
     49     -10.7954      1.00000
     50     -10.7319      1.00000
     51     -10.5295      1.00000
     52     -10.2091      1.00000
     53     -10.2064      1.00000
     54     -10.1654      1.00000
     55     -10.0184      1.00000
     56     -10.0049      1.00000
     57      -9.9913      1.00000
     58      -9.8019      1.00000
     59      -9.7980      1.00000
     60      -9.7627      1.00000
     61      -9.7579      1.00000
     62      -9.4552      1.00000
     63      -9.4180      1.00000
     64      -9.0810      1.00000
     65      -9.0729      1.00000
     66      -9.0413      1.00000
     67      -8.9558      1.00000
     68      -8.8779      1.00000
     69      -8.7126      1.00000
     70      -8.7003      1.00000
     71      -8.5664      1.00000
     72      -8.5436      1.00000
     73      -8.4998      1.00000
     74      -8.4630      1.00000
     75      -8.4538      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0438      1.00000
     79      -7.9160      1.00000
     80      -7.8635      1.00000
     81      -7.6152      1.00000
     82      -7.5489      1.00000
     83      -7.4902      1.00000
     84      -7.2681      1.00000
     85      -6.9955      1.00000
     86      -6.9233      1.00000
     87      -6.8823      1.00000
     88      -6.5327      1.00000
     89      -6.4874      1.00000
     90      -6.4615      1.00000
     91      -6.4105      1.00000
     92      -5.9841      1.00000
     93      -5.8976      1.00000
     94      -5.7847      1.00000
     95      -5.7598      1.00000
     96      -5.4323      1.00000
     97      -5.3294      1.00000
     98      -5.2304      1.00000
     99      -5.2179      1.00000
    100      -5.1885      1.00000
    101      -4.6922      1.00000
    102      -4.4215      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5292      1.00000
    106      -3.2742      1.00000
    107      -2.5312      0.00000
    108      -1.4581      0.00000
    109      -1.2667      0.00000
    110      -1.2029      0.00000
    111      -1.1725      0.00000
    112      -0.7197      0.00000
    113      -0.5035      0.00000
    114      -0.4119      0.00000
    115      -0.3395      0.00000
    116      -0.1459      0.00000
    117      -0.0028      0.00000
    118       0.1939      0.00000
    119       0.5613      0.00000
    120       0.6125      0.00000
    121       0.7963      0.00000
    122       0.9070      0.00000
    123       1.1326      0.00000
    124       1.4941      0.00000
    125       1.6352      0.00000
    126       1.8547      0.00000
    127       1.9279      0.00000
    128       2.1063      0.00000
    129       2.1165      0.00000
    130       2.1543      0.00000
    131       2.1889      0.00000
    132       2.2799      0.00000
    133       2.3415      0.00000
    134       2.4694      0.00000
    135       2.5818      0.00000
    136       2.6589      0.00000
    137       2.8551      0.00000
    138       2.8717      0.00000
    139       2.8941      0.00000
    140       3.0223      0.00000
    141       3.0289      0.00000
    142       3.1409      0.00000
    143       3.1845      0.00000
    144       3.2361      0.00000
    145       3.2761      0.00000
    146       3.2848      0.00000
    147       3.3007      0.00000
    148       3.3471      0.00000
    149       3.4242      0.00000
    150       3.4457      0.00000
    151       3.5543      0.00000
    152       3.6245      0.00000
    153       3.7103      0.00000
    154       3.7340      0.00000
    155       3.7736      0.00000
    156       3.8950      0.00000
    157       3.9438      0.00000
    158       4.0074      0.00000
    159       4.1328      0.00000
    160       4.2256      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3187      1.00000
      2     -21.9657      1.00000
      3     -21.8935      1.00000
      4     -21.3859      1.00000
      5     -21.3495      1.00000
      6     -20.8407      1.00000
      7     -20.7743      1.00000
      8     -20.6262      1.00000
      9     -20.0907      1.00000
     10     -20.0619      1.00000
     11     -19.7195      1.00000
     12     -19.6907      1.00000
     13     -19.0108      1.00000
     14     -18.9797      1.00000
     15     -18.6507      1.00000
     16     -18.6180      1.00000
     17     -18.4616      1.00000
     18     -17.6613      1.00000
     19     -17.6476      1.00000
     20     -17.6114      1.00000
     21     -17.5789      1.00000
     22     -17.1380      1.00000
     23     -17.0981      1.00000
     24     -16.9664      1.00000
     25     -16.0087      1.00000
     26     -15.9239      1.00000
     27     -15.5998      1.00000
     28     -15.5763      1.00000
     29     -15.2804      1.00000
     30     -14.8775      1.00000
     31     -14.8304      1.00000
     32     -14.5753      1.00000
     33     -14.5375      1.00000
     34     -14.1644      1.00000
     35     -14.1604      1.00000
     36     -13.1627      1.00000
     37     -13.0969      1.00000
     38     -13.0238      1.00000
     39     -13.0190      1.00000
     40     -12.7185      1.00000
     41     -12.6952      1.00000
     42     -12.3414      1.00000
     43     -12.3142      1.00000
     44     -11.6319      1.00000
     45     -11.6227      1.00000
     46     -11.5707      1.00000
     47     -10.9412      1.00000
     48     -10.9234      1.00000
     49     -10.6695      1.00000
     50     -10.5902      1.00000
     51     -10.5736      1.00000
     52     -10.5011      1.00000
     53     -10.4897      1.00000
     54     -10.4394      1.00000
     55     -10.3568      1.00000
     56     -10.1045      1.00000
     57      -9.8985      1.00000
     58      -9.6092      1.00000
     59      -9.5520      1.00000
     60      -9.4548      1.00000
     61      -9.4181      1.00000
     62      -9.4099      1.00000
     63      -9.3799      1.00000
     64      -9.3728      1.00000
     65      -9.2681      1.00000
     66      -9.1653      1.00000
     67      -9.1413      1.00000
     68      -9.1159      1.00000
     69      -8.8663      1.00000
     70      -8.8603      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1933      1.00000
     75      -8.1707      1.00000
     76      -8.0762      1.00000
     77      -7.8580      1.00000
     78      -7.8372      1.00000
     79      -7.8242      1.00000
     80      -7.7106      1.00000
     81      -7.6962      1.00000
     82      -7.5978      1.00000
     83      -7.5301      1.00000
     84      -7.3507      1.00000
     85      -7.1680      1.00000
     86      -6.9052      1.00000
     87      -6.8959      1.00000
     88      -6.5928      1.00000
     89      -6.5516      1.00000
     90      -6.4062      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2010      1.00000
     94      -6.0042      1.00000
     95      -5.5320      1.00000
     96      -5.4654      1.00000
     97      -5.3143      1.00000
     98      -5.2097      1.00000
     99      -5.0470      1.00000
    100      -4.7236      1.00000
    101      -4.6717      1.00000
    102      -4.4239      1.00000
    103      -4.1948      1.00000
    104      -3.8428      1.00000
    105      -3.6345      1.00000
    106      -3.4163      1.00000
    107      -2.2925      0.00000
    108      -1.5094      0.00000
    109      -1.2700      0.00000
    110      -1.2623      0.00000
    111      -1.0343      0.00000
    112      -0.9778      0.00000
    113      -0.8681      0.00000
    114      -0.7998      0.00000
    115      -0.2616      0.00000
    116       0.2044      0.00000
    117       0.2395      0.00000
    118       0.3600      0.00000
    119       0.6910      0.00000
    120       0.8942      0.00000
    121       0.9239      0.00000
    122       1.0406      0.00000
    123       1.1671      0.00000
    124       1.5100      0.00000
    125       1.5602      0.00000
    126       1.7115      0.00000
    127       1.7789      0.00000
    128       1.8344      0.00000
    129       1.9642      0.00000
    130       1.9859      0.00000
    131       2.1855      0.00000
    132       2.2629      0.00000
    133       2.4162      0.00000
    134       2.4689      0.00000
    135       2.5295      0.00000
    136       2.6008      0.00000
    137       2.6188      0.00000
    138       2.6994      0.00000
    139       2.7610      0.00000
    140       2.8650      0.00000
    141       3.0366      0.00000
    142       3.0840      0.00000
    143       3.1908      0.00000
    144       3.2483      0.00000
    145       3.2620      0.00000
    146       3.3001      0.00000
    147       3.3601      0.00000
    148       3.4534      0.00000
    149       3.5214      0.00000
    150       3.6922      0.00000
    151       3.7173      0.00000
    152       3.7490      0.00000
    153       3.8316      0.00000
    154       3.8928      0.00000
    155       3.9352      0.00000
    156       3.9804      0.00000
    157       4.0100      0.00000
    158       4.0442      0.00000
    159       4.0496      0.00000
    160       4.0857      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8321      1.00000
      3     -21.6427      1.00000
      4     -21.6077      1.00000
      5     -21.2800      1.00000
      6     -21.2330      1.00000
      7     -21.0577      1.00000
      8     -20.1726      1.00000
      9     -20.1264      1.00000
     10     -19.6179      1.00000
     11     -19.5917      1.00000
     12     -19.4167      1.00000
     13     -19.0956      1.00000
     14     -19.0569      1.00000
     15     -19.0525      1.00000
     16     -19.0398      1.00000
     17     -18.3676      1.00000
     18     -18.3479      1.00000
     19     -18.0176      1.00000
     20     -17.0731      1.00000
     21     -17.0243      1.00000
     22     -16.9503      1.00000
     23     -16.9365      1.00000
     24     -16.4753      1.00000
     25     -16.4634      1.00000
     26     -15.6101      1.00000
     27     -15.6096      1.00000
     28     -15.2505      1.00000
     29     -15.2384      1.00000
     30     -15.1923      1.00000
     31     -15.1022      1.00000
     32     -15.0692      1.00000
     33     -14.6988      1.00000
     34     -14.6979      1.00000
     35     -13.7254      1.00000
     36     -13.7253      1.00000
     37     -13.2359      1.00000
     38     -12.6247      1.00000
     39     -12.5806      1.00000
     40     -12.4555      1.00000
     41     -12.4502      1.00000
     42     -12.1053      1.00000
     43     -12.1004      1.00000
     44     -11.7219      1.00000
     45     -11.6833      1.00000
     46     -11.2456      1.00000
     47     -11.2250      1.00000
     48     -11.0182      1.00000
     49     -11.0065      1.00000
     50     -10.9281      1.00000
     51     -10.8994      1.00000
     52     -10.6377      1.00000
     53     -10.1729      1.00000
     54     -10.1500      1.00000
     55     -10.0852      1.00000
     56      -9.9927      1.00000
     57      -9.6967      1.00000
     58      -9.6901      1.00000
     59      -9.6710      1.00000
     60      -9.5915      1.00000
     61      -9.5675      1.00000
     62      -9.5543      1.00000
     63      -9.3132      1.00000
     64      -9.3006      1.00000
     65      -9.2837      1.00000
     66      -9.2431      1.00000
     67      -9.1227      1.00000
     68      -9.1130      1.00000
     69      -9.1113      1.00000
     70      -8.9401      1.00000
     71      -8.8753      1.00000
     72      -8.6049      1.00000
     73      -8.5862      1.00000
     74      -8.2712      1.00000
     75      -8.1016      1.00000
     76      -7.8676      1.00000
     77      -7.8440      1.00000
     78      -7.7908      1.00000
     79      -7.7650      1.00000
     80      -7.7560      1.00000
     81      -7.4473      1.00000
     82      -7.3350      1.00000
     83      -7.3235      1.00000
     84      -7.2664      1.00000
     85      -7.1628      1.00000
     86      -7.0148      1.00000
     87      -6.9867      1.00000
     88      -6.7179      1.00000
     89      -6.6908      1.00000
     90      -6.6319      1.00000
     91      -6.5908      1.00000
     92      -6.1179      1.00000
     93      -6.0590      1.00000
     94      -6.0448      1.00000
     95      -6.0286      1.00000
     96      -5.7481      1.00000
     97      -4.9748      1.00000
     98      -4.8397      1.00000
     99      -4.7091      1.00000
    100      -4.6735      1.00000
    101      -4.4837      1.00000
    102      -4.3523      1.00000
    103      -4.1119      1.00000
    104      -4.0556      1.00000
    105      -3.7550      1.00000
    106      -3.4654      1.00000
    107      -1.9506      0.00000
    108      -1.7711      0.00000
    109      -1.4798      0.00000
    110      -1.3555      0.00000
    111      -1.3359      0.00000
    112      -1.2926      0.00000
    113      -0.6785      0.00000
    114      -0.4719      0.00000
    115      -0.2355      0.00000
    116       0.0516      0.00000
    117       0.5876      0.00000
    118       0.6924      0.00000
    119       0.7701      0.00000
    120       1.0228      0.00000
    121       1.0970      0.00000
    122       1.1767      0.00000
    123       1.2501      0.00000
    124       1.3349      0.00000
    125       1.4337      0.00000
    126       1.6005      0.00000
    127       1.7647      0.00000
    128       1.8428      0.00000
    129       1.8603      0.00000
    130       1.8877      0.00000
    131       2.0461      0.00000
    132       2.2178      0.00000
    133       2.2331      0.00000
    134       2.2870      0.00000
    135       2.4811      0.00000
    136       2.6204      0.00000
    137       2.6441      0.00000
    138       2.7537      0.00000
    139       2.7982      0.00000
    140       2.8363      0.00000
    141       2.8484      0.00000
    142       2.8736      0.00000
    143       2.9490      0.00000
    144       3.0866      0.00000
    145       3.3168      0.00000
    146       3.3562      0.00000
    147       3.4089      0.00000
    148       3.4215      0.00000
    149       3.4265      0.00000
    150       3.6060      0.00000
    151       3.6531      0.00000
    152       3.6794      0.00000
    153       3.7324      0.00000
    154       3.8970      0.00000
    155       3.9264      0.00000
    156       3.9581      0.00000
    157       4.1084      0.00000
    158       4.2078      0.00000
    159       4.2599      0.00000
    160       4.2852      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2110      1.00000
      2     -22.1203      1.00000
      3     -21.9579      1.00000
      4     -21.4058      1.00000
      5     -21.0472      1.00000
      6     -21.0189      1.00000
      7     -20.4971      1.00000
      8     -20.4672      1.00000
      9     -20.2873      1.00000
     10     -20.2853      1.00000
     11     -19.9576      1.00000
     12     -19.8945      1.00000
     13     -18.8842      1.00000
     14     -18.8166      1.00000
     15     -18.3386      1.00000
     16     -18.3195      1.00000
     17     -18.1499      1.00000
     18     -18.1424      1.00000
     19     -17.8166      1.00000
     20     -17.7986      1.00000
     21     -17.2587      1.00000
     22     -17.2391      1.00000
     23     -17.1608      1.00000
     24     -17.1360      1.00000
     25     -16.1175      1.00000
     26     -15.8812      1.00000
     27     -15.8701      1.00000
     28     -15.8409      1.00000
     29     -15.2314      1.00000
     30     -14.5513      1.00000
     31     -14.5330      1.00000
     32     -14.2761      1.00000
     33     -13.9756      1.00000
     34     -13.9519      1.00000
     35     -13.8253      1.00000
     36     -13.8030      1.00000
     37     -13.6044      1.00000
     38     -13.5792      1.00000
     39     -13.3712      1.00000
     40     -12.6396      1.00000
     41     -12.1691      1.00000
     42     -12.1428      1.00000
     43     -12.0685      1.00000
     44     -12.0217      1.00000
     45     -11.6655      1.00000
     46     -11.6608      1.00000
     47     -11.1369      1.00000
     48     -11.1258      1.00000
     49     -10.7906      1.00000
     50     -10.7344      1.00000
     51     -10.5361      1.00000
     52     -10.2090      1.00000
     53     -10.2028      1.00000
     54     -10.1711      1.00000
     55     -10.0233      1.00000
     56      -9.9948      1.00000
     57      -9.9907      1.00000
     58      -9.8055      1.00000
     59      -9.7965      1.00000
     60      -9.7649      1.00000
     61      -9.7570      1.00000
     62      -9.4545      1.00000
     63      -9.4179      1.00000
     64      -9.0852      1.00000
     65      -9.0463      1.00000
     66      -9.0260      1.00000
     67      -8.9698      1.00000
     68      -8.8982      1.00000
     69      -8.7086      1.00000
     70      -8.6994      1.00000
     71      -8.5600      1.00000
     72      -8.5493      1.00000
     73      -8.4782      1.00000
     74      -8.4599      1.00000
     75      -8.4571      1.00000
     76      -8.3087      1.00000
     77      -8.0955      1.00000
     78      -8.0896      1.00000
     79      -7.9269      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5369      1.00000
     83      -7.4438      1.00000
     84      -7.3142      1.00000
     85      -6.9942      1.00000
     86      -6.9195      1.00000
     87      -6.8825      1.00000
     88      -6.5277      1.00000
     89      -6.5150      1.00000
     90      -6.4809      1.00000
     91      -6.4208      1.00000
     92      -5.9273      1.00000
     93      -5.9054      1.00000
     94      -5.7890      1.00000
     95      -5.7751      1.00000
     96      -5.3695      1.00000
     97      -5.3633      1.00000
     98      -5.2205      1.00000
     99      -5.2155      1.00000
    100      -5.1989      1.00000
    101      -4.7204      1.00000
    102      -4.4424      1.00000
    103      -4.1909      1.00000
    104      -3.8204      1.00000
    105      -3.5655      1.00000
    106      -3.2215      1.00000
    107      -2.5626      0.00000
    108      -1.4632      0.00000
    109      -1.2673      0.00000
    110      -1.1852      0.00000
    111      -1.1837      0.00000
    112      -0.6447      0.00000
    113      -0.5514      0.00000
    114      -0.4147      0.00000
    115      -0.3474      0.00000
    116      -0.0776      0.00000
    117      -0.0633      0.00000
    118       0.1259      0.00000
    119       0.5931      0.00000
    120       0.6265      0.00000
    121       0.8552      0.00000
    122       0.9858      0.00000
    123       1.0035      0.00000
    124       1.4943      0.00000
    125       1.6841      0.00000
    126       1.7667      0.00000
    127       1.8622      0.00000
    128       2.1150      0.00000
    129       2.1491      0.00000
    130       2.1902      0.00000
    131       2.2103      0.00000
    132       2.2570      0.00000
    133       2.3557      0.00000
    134       2.4944      0.00000
    135       2.5127      0.00000
    136       2.6665      0.00000
    137       2.8526      0.00000
    138       2.8595      0.00000
    139       2.9547      0.00000
    140       3.0102      0.00000
    141       3.0430      0.00000
    142       3.1357      0.00000
    143       3.1970      0.00000
    144       3.2456      0.00000
    145       3.2551      0.00000
    146       3.2812      0.00000
    147       3.3035      0.00000
    148       3.3548      0.00000
    149       3.4208      0.00000
    150       3.5507      0.00000
    151       3.5663      0.00000
    152       3.6478      0.00000
    153       3.6647      0.00000
    154       3.7060      0.00000
    155       3.7313      0.00000
    156       3.8972      0.00000
    157       3.9639      0.00000
    158       4.0392      0.00000
    159       4.0773      0.00000
    160       4.1865      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2845      1.00000
      2     -22.0799      1.00000
      3     -21.7215      1.00000
      4     -21.6823      1.00000
      5     -20.9840      1.00000
      6     -20.9362      1.00000
      7     -20.6125      1.00000
      8     -20.5803      1.00000
      9     -20.5667      1.00000
     10     -20.0333      1.00000
     11     -19.5143      1.00000
     12     -19.4842      1.00000
     13     -19.3123      1.00000
     14     -19.2993      1.00000
     15     -18.4506      1.00000
     16     -18.4074      1.00000
     17     -17.9283      1.00000
     18     -17.9079      1.00000
     19     -17.7668      1.00000
     20     -17.7218      1.00000
     21     -17.4423      1.00000
     22     -17.4238      1.00000
     23     -17.3389      1.00000
     24     -16.4714      1.00000
     25     -16.4612      1.00000
     26     -15.9714      1.00000
     27     -15.4115      1.00000
     28     -15.4106      1.00000
     29     -15.0964      1.00000
     30     -15.0934      1.00000
     31     -14.8536      1.00000
     32     -14.8412      1.00000
     33     -14.2985      1.00000
     34     -14.2547      1.00000
     35     -13.4448      1.00000
     36     -13.4010      1.00000
     37     -13.1755      1.00000
     38     -13.1741      1.00000
     39     -12.9865      1.00000
     40     -12.9775      1.00000
     41     -12.6110      1.00000
     42     -12.6089      1.00000
     43     -12.1974      1.00000
     44     -11.5798      1.00000
     45     -11.5387      1.00000
     46     -11.3137      1.00000
     47     -11.2834      1.00000
     48     -11.1425      1.00000
     49     -10.6926      1.00000
     50     -10.6633      1.00000
     51     -10.5475      1.00000
     52     -10.3228      1.00000
     53     -10.3151      1.00000
     54     -10.1762      1.00000
     55     -10.1215      1.00000
     56     -10.1082      1.00000
     57      -9.8120      1.00000
     58      -9.7530      1.00000
     59      -9.7525      1.00000
     60      -9.7027      1.00000
     61      -9.6988      1.00000
     62      -9.6473      1.00000
     63      -9.3530      1.00000
     64      -9.3516      1.00000
     65      -9.3180      1.00000
     66      -9.0283      1.00000
     67      -8.9619      1.00000
     68      -8.9581      1.00000
     69      -8.7758      1.00000
     70      -8.5917      1.00000
     71      -8.5886      1.00000
     72      -8.4241      1.00000
     73      -8.3500      1.00000
     74      -8.3226      1.00000
     75      -8.3024      1.00000
     76      -8.2658      1.00000
     77      -8.2542      1.00000
     78      -8.2394      1.00000
     79      -7.9217      1.00000
     80      -7.7341      1.00000
     81      -7.3799      1.00000
     82      -7.3503      1.00000
     83      -7.3237      1.00000
     84      -7.2176      1.00000
     85      -7.1605      1.00000
     86      -7.0654      1.00000
     87      -6.9610      1.00000
     88      -6.9054      1.00000
     89      -6.6134      1.00000
     90      -6.5569      1.00000
     91      -6.2710      1.00000
     92      -5.9968      1.00000
     93      -5.9596      1.00000
     94      -5.6754      1.00000
     95      -5.6488      1.00000
     96      -5.3875      1.00000
     97      -5.3152      1.00000
     98      -5.2941      1.00000
     99      -5.2121      1.00000
    100      -5.2005      1.00000
    101      -4.5115      1.00000
    102      -4.3388      1.00000
    103      -3.9965      1.00000
    104      -3.8860      1.00000
    105      -3.7929      1.00000
    106      -3.4433      1.00000
    107      -2.0345      0.00000
    108      -1.8634      0.00000
    109      -1.2176      0.00000
    110      -1.1842      0.00000
    111      -1.0358      0.00000
    112      -0.7722      0.00000
    113      -0.6773      0.00000
    114      -0.6599      0.00000
    115      -0.6097      0.00000
    116      -0.1017      0.00000
    117       0.2226      0.00000
    118       0.2397      0.00000
    119       0.7698      0.00000
    120       0.9840      0.00000
    121       1.0739      0.00000
    122       1.2415      0.00000
    123       1.2511      0.00000
    124       1.3410      0.00000
    125       1.5786      0.00000
    126       1.5852      0.00000
    127       1.7028      0.00000
    128       1.7990      0.00000
    129       1.9467      0.00000
    130       1.9625      0.00000
    131       2.0871      0.00000
    132       2.2961      0.00000
    133       2.3426      0.00000
    134       2.4166      0.00000
    135       2.5445      0.00000
    136       2.6296      0.00000
    137       2.7689      0.00000
    138       2.8327      0.00000
    139       2.8437      0.00000
    140       2.8693      0.00000
    141       3.0500      0.00000
    142       3.1008      0.00000
    143       3.1532      0.00000
    144       3.2229      0.00000
    145       3.3751      0.00000
    146       3.4147      0.00000
    147       3.5059      0.00000
    148       3.5533      0.00000
    149       3.5909      0.00000
    150       3.6126      0.00000
    151       3.6496      0.00000
    152       3.7360      0.00000
    153       3.7455      0.00000
    154       3.7799      0.00000
    155       3.8195      0.00000
    156       3.8781      0.00000
    157       4.0224      0.00000
    158       4.0871      0.00000
    159       4.1700      0.00000
    160       4.2130      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4276      1.00000
      2     -21.6044      1.00000
      3     -21.4827      1.00000
      4     -21.4736      1.00000
      5     -21.4420      1.00000
      6     -21.4412      1.00000
      7     -21.4311      1.00000
      8     -19.7085      1.00000
      9     -19.6536      1.00000
     10     -19.6303      1.00000
     11     -19.6193      1.00000
     12     -19.6140      1.00000
     13     -19.6130      1.00000
     14     -18.7907      1.00000
     15     -18.7555      1.00000
     16     -18.7357      1.00000
     17     -18.7262      1.00000
     18     -18.7190      1.00000
     19     -18.7137      1.00000
     20     -16.6354      1.00000
     21     -16.6096      1.00000
     22     -16.5852      1.00000
     23     -16.5818      1.00000
     24     -16.5548      1.00000
     25     -16.5531      1.00000
     26     -15.6154      1.00000
     27     -15.6027      1.00000
     28     -15.5994      1.00000
     29     -15.5653      1.00000
     30     -15.5636      1.00000
     31     -15.5627      1.00000
     32     -14.2604      1.00000
     33     -14.2511      1.00000
     34     -14.2411      1.00000
     35     -14.2361      1.00000
     36     -14.2229      1.00000
     37     -14.2200      1.00000
     38     -11.9061      1.00000
     39     -11.8791      1.00000
     40     -11.8680      1.00000
     41     -11.8658      1.00000
     42     -11.8451      1.00000
     43     -11.8449      1.00000
     44     -11.7716      1.00000
     45     -11.7689      1.00000
     46     -11.7362      1.00000
     47     -11.7295      1.00000
     48     -11.7253      1.00000
     49     -11.7229      1.00000
     50     -10.6767      1.00000
     51     -10.3891      1.00000
     52     -10.3840      1.00000
     53     -10.3771      1.00000
     54     -10.3693      1.00000
     55     -10.3560      1.00000
     56     -10.3539      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4060      1.00000
     60      -9.3630      1.00000
     61      -9.3624      1.00000
     62      -9.3546      1.00000
     63      -9.1426      1.00000
     64      -9.1220      1.00000
     65      -9.1213      1.00000
     66      -9.0849      1.00000
     67      -9.0720      1.00000
     68      -9.0714      1.00000
     69      -9.0712      1.00000
     70      -9.0643      1.00000
     71      -9.0642      1.00000
     72      -9.0385      1.00000
     73      -9.0290      1.00000
     74      -9.0258      1.00000
     75      -8.1301      1.00000
     76      -7.7458      1.00000
     77      -7.4688      1.00000
     78      -7.4667      1.00000
     79      -7.4539      1.00000
     80      -7.4342      1.00000
     81      -7.4247      1.00000
     82      -7.4066      1.00000
     83      -7.3130      1.00000
     84      -7.2713      1.00000
     85      -7.2576      1.00000
     86      -7.2491      1.00000
     87      -7.1508      1.00000
     88      -7.0494      1.00000
     89      -6.4464      1.00000
     90      -6.4161      1.00000
     91      -6.4005      1.00000
     92      -6.3638      1.00000
     93      -6.3531      1.00000
     94      -6.3408      1.00000
     95      -5.9585      1.00000
     96      -5.9582      1.00000
     97      -4.8064      1.00000
     98      -4.5444      1.00000
     99      -4.4815      1.00000
    100      -4.4744      1.00000
    101      -4.3823      1.00000
    102      -4.3817      1.00000
    103      -4.2678      1.00000
    104      -4.1873      1.00000
    105      -3.7393      1.00000
    106      -3.4776      1.00000
    107      -1.8619      0.00000
    108      -1.6706      0.00000
    109      -1.6241      0.00000
    110      -1.5913      0.00000
    111      -1.5759      0.00000
    112      -1.5749      0.00000
    113      -0.4289      0.00000
    114       0.1458      0.00000
    115       0.1920      0.00000
    116       0.2556      0.00000
    117       0.2675      0.00000
    118       0.2714      0.00000
    119       0.4771      0.00000
    120       0.5480      0.00000
    121       1.2482      0.00000
    122       1.2900      0.00000
    123       1.5383      0.00000
    124       1.7714      0.00000
    125       1.7741      0.00000
    126       1.7747      0.00000
    127       1.8006      0.00000
    128       1.8298      0.00000
    129       1.9586      0.00000
    130       1.9691      0.00000
    131       1.9745      0.00000
    132       1.9893      0.00000
    133       1.9964      0.00000
    134       2.0790      0.00000
    135       2.2508      0.00000
    136       2.3471      0.00000
    137       2.6112      0.00000
    138       2.6129      0.00000
    139       2.6401      0.00000
    140       2.7159      0.00000
    141       2.9361      0.00000
    142       3.0489      0.00000
    143       3.0639      0.00000
    144       3.1008      0.00000
    145       3.1017      0.00000
    146       3.1079      0.00000
    147       3.1093      0.00000
    148       3.2795      0.00000
    149       3.4529      0.00000
    150       3.5096      0.00000
    151       3.8271      0.00000
    152       3.9612      0.00000
    153       3.9645      0.00000
    154       3.9674      0.00000
    155       3.9752      0.00000
    156       4.0005      0.00000
    157       4.1891      0.00000
    158       4.2626      0.00000
    159       4.2757      0.00000
    160       4.2840      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8318      1.00000
      3     -21.6395      1.00000
      4     -21.6116      1.00000
      5     -21.2759      1.00000
      6     -21.2365      1.00000
      7     -21.0581      1.00000
      8     -20.1688      1.00000
      9     -20.1306      1.00000
     10     -19.6096      1.00000
     11     -19.5986      1.00000
     12     -19.4182      1.00000
     13     -19.0906      1.00000
     14     -19.0609      1.00000
     15     -19.0498      1.00000
     16     -19.0424      1.00000
     17     -18.3615      1.00000
     18     -18.3531      1.00000
     19     -18.0198      1.00000
     20     -17.0698      1.00000
     21     -17.0311      1.00000
     22     -16.9445      1.00000
     23     -16.9406      1.00000
     24     -16.4685      1.00000
     25     -16.4638      1.00000
     26     -15.6149      1.00000
     27     -15.6081      1.00000
     28     -15.2533      1.00000
     29     -15.2442      1.00000
     30     -15.1854      1.00000
     31     -15.0986      1.00000
     32     -15.0717      1.00000
     33     -14.6992      1.00000
     34     -14.6972      1.00000
     35     -13.7271      1.00000
     36     -13.7245      1.00000
     37     -13.2362      1.00000
     38     -12.6146      1.00000
     39     -12.5844      1.00000
     40     -12.4549      1.00000
     41     -12.4513      1.00000
     42     -12.1097      1.00000
     43     -12.1051      1.00000
     44     -11.7179      1.00000
     45     -11.6870      1.00000
     46     -11.2355      1.00000
     47     -11.2262      1.00000
     48     -11.0182      1.00000
     49     -11.0102      1.00000
     50     -10.9272      1.00000
     51     -10.9058      1.00000
     52     -10.6317      1.00000
     53     -10.1554      1.00000
     54     -10.1513      1.00000
     55     -10.0921      1.00000
     56      -9.9990      1.00000
     57      -9.7033      1.00000
     58      -9.6953      1.00000
     59      -9.6565      1.00000
     60      -9.5922      1.00000
     61      -9.5771      1.00000
     62      -9.5591      1.00000
     63      -9.3074      1.00000
     64      -9.3036      1.00000
     65      -9.2746      1.00000
     66      -9.2370      1.00000
     67      -9.1373      1.00000
     68      -9.1154      1.00000
     69      -9.1117      1.00000
     70      -8.9402      1.00000
     71      -8.8725      1.00000
     72      -8.6046      1.00000
     73      -8.5911      1.00000
     74      -8.2368      1.00000
     75      -8.1006      1.00000
     76      -7.9135      1.00000
     77      -7.8641      1.00000
     78      -7.7719      1.00000
     79      -7.7570      1.00000
     80      -7.6923      1.00000
     81      -7.5607      1.00000
     82      -7.3390      1.00000
     83      -7.3229      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0125      1.00000
     88      -6.7047      1.00000
     89      -6.6784      1.00000
     90      -6.6413      1.00000
     91      -6.5979      1.00000
     92      -6.1159      1.00000
     93      -6.0624      1.00000
     94      -6.0313      1.00000
     95      -6.0116      1.00000
     96      -5.7835      1.00000
     97      -4.9745      1.00000
     98      -4.8322      1.00000
     99      -4.7471      1.00000
    100      -4.6795      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1720      1.00000
    104      -4.1280      1.00000
    105      -3.7296      1.00000
    106      -3.4878      1.00000
    107      -1.8704      0.00000
    108      -1.8089      0.00000
    109      -1.5244      0.00000
    110      -1.3776      0.00000
    111      -1.3214      0.00000
    112      -1.2880      0.00000
    113      -0.7199      0.00000
    114      -0.3760      0.00000
    115      -0.2499      0.00000
    116       0.0369      0.00000
    117       0.5559      0.00000
    118       0.6985      0.00000
    119       0.7464      0.00000
    120       1.0480      0.00000
    121       1.1000      0.00000
    122       1.1498      0.00000
    123       1.2274      0.00000
    124       1.3779      0.00000
    125       1.5241      0.00000
    126       1.5840      0.00000
    127       1.7156      0.00000
    128       1.8156      0.00000
    129       1.8581      0.00000
    130       1.8818      0.00000
    131       2.0968      0.00000
    132       2.1874      0.00000
    133       2.2419      0.00000
    134       2.3075      0.00000
    135       2.5148      0.00000
    136       2.5902      0.00000
    137       2.6436      0.00000
    138       2.7805      0.00000
    139       2.7982      0.00000
    140       2.8273      0.00000
    141       2.8620      0.00000
    142       2.9023      0.00000
    143       2.9445      0.00000
    144       3.0826      0.00000
    145       3.1549      0.00000
    146       3.3200      0.00000
    147       3.3862      0.00000
    148       3.4318      0.00000
    149       3.4707      0.00000
    150       3.6215      0.00000
    151       3.6483      0.00000
    152       3.6722      0.00000
    153       3.7166      0.00000
    154       3.9138      0.00000
    155       3.9627      0.00000
    156       4.0182      0.00000
    157       4.0689      0.00000
    158       4.2418      0.00000
    159       4.2541      0.00000
    160       4.2774      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2849      1.00000
      2     -22.0793      1.00000
      3     -21.7179      1.00000
      4     -21.6861      1.00000
      5     -20.9806      1.00000
      6     -20.9400      1.00000
      7     -20.6130      1.00000
      8     -20.5763      1.00000
      9     -20.5701      1.00000
     10     -20.0337      1.00000
     11     -19.5044      1.00000
     12     -19.4927      1.00000
     13     -19.3078      1.00000
     14     -19.3026      1.00000
     15     -18.4486      1.00000
     16     -18.4119      1.00000
     17     -17.9231      1.00000
     18     -17.9137      1.00000
     19     -17.7624      1.00000
     20     -17.7266      1.00000
     21     -17.4366      1.00000
     22     -17.4292      1.00000
     23     -17.3416      1.00000
     24     -16.4635      1.00000
     25     -16.4624      1.00000
     26     -15.9678      1.00000
     27     -15.4151      1.00000
     28     -15.4096      1.00000
     29     -15.0973      1.00000
     30     -15.0939      1.00000
     31     -14.8556      1.00000
     32     -14.8479      1.00000
     33     -14.2908      1.00000
     34     -14.2580      1.00000
     35     -13.4371      1.00000
     36     -13.4046      1.00000
     37     -13.1780      1.00000
     38     -13.1746      1.00000
     39     -12.9826      1.00000
     40     -12.9777      1.00000
     41     -12.6134      1.00000
     42     -12.6103      1.00000
     43     -12.1981      1.00000
     44     -11.5771      1.00000
     45     -11.5434      1.00000
     46     -11.3112      1.00000
     47     -11.2884      1.00000
     48     -11.1423      1.00000
     49     -10.6768      1.00000
     50     -10.6607      1.00000
     51     -10.5537      1.00000
     52     -10.3238      1.00000
     53     -10.3181      1.00000
     54     -10.1700      1.00000
     55     -10.1157      1.00000
     56     -10.1130      1.00000
     57      -9.7988      1.00000
     58      -9.7652      1.00000
     59      -9.7524      1.00000
     60      -9.7004      1.00000
     61      -9.6973      1.00000
     62      -9.6627      1.00000
     63      -9.3546      1.00000
     64      -9.3518      1.00000
     65      -9.3159      1.00000
     66      -9.0415      1.00000
     67      -8.9624      1.00000
     68      -8.9499      1.00000
     69      -8.8000      1.00000
     70      -8.5952      1.00000
     71      -8.5581      1.00000
     72      -8.3988      1.00000
     73      -8.3653      1.00000
     74      -8.3247      1.00000
     75      -8.3073      1.00000
     76      -8.2590      1.00000
     77      -8.2574      1.00000
     78      -8.2366      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3866      1.00000
     83      -7.3495      1.00000
     84      -7.2310      1.00000
     85      -7.0967      1.00000
     86      -7.0391      1.00000
     87      -6.9342      1.00000
     88      -6.8483      1.00000
     89      -6.6127      1.00000
     90      -6.5588      1.00000
     91      -6.2698      1.00000
     92      -6.0440      1.00000
     93      -5.9518      1.00000
     94      -5.6629      1.00000
     95      -5.6228      1.00000
     96      -5.4633      1.00000
     97      -5.3201      1.00000
     98      -5.2790      1.00000
     99      -5.2140      1.00000
    100      -5.1940      1.00000
    101      -4.5085      1.00000
    102      -4.2077      1.00000
    103      -4.0593      1.00000
    104      -3.9892      1.00000
    105      -3.6944      1.00000
    106      -3.4980      1.00000
    107      -1.9463      0.00000
    108      -1.8963      0.00000
    109      -1.3390      0.00000
    110      -1.0849      0.00000
    111      -1.0582      0.00000
    112      -0.8003      0.00000
    113      -0.6776      0.00000
    114      -0.6468      0.00000
    115      -0.6072      0.00000
    116      -0.1080      0.00000
    117       0.2155      0.00000
    118       0.3291      0.00000
    119       0.6943      0.00000
    120       0.8877      0.00000
    121       1.1273      0.00000
    122       1.1992      0.00000
    123       1.3265      0.00000
    124       1.4211      0.00000
    125       1.5545      0.00000
    126       1.5764      0.00000
    127       1.6803      0.00000
    128       1.8085      0.00000
    129       1.8846      0.00000
    130       2.0566      0.00000
    131       2.1255      0.00000
    132       2.3282      0.00000
    133       2.3599      0.00000
    134       2.3963      0.00000
    135       2.5474      0.00000
    136       2.6316      0.00000
    137       2.7302      0.00000
    138       2.7602      0.00000
    139       2.8298      0.00000
    140       2.8841      0.00000
    141       3.0493      0.00000
    142       3.0597      0.00000
    143       3.1650      0.00000
    144       3.2657      0.00000
    145       3.3616      0.00000
    146       3.4163      0.00000
    147       3.4346      0.00000
    148       3.5682      0.00000
    149       3.5860      0.00000
    150       3.6033      0.00000
    151       3.6607      0.00000
    152       3.6760      0.00000
    153       3.7822      0.00000
    154       3.8031      0.00000
    155       3.8103      0.00000
    156       3.8955      0.00000
    157       3.9230      0.00000
    158       3.9954      0.00000
    159       4.2160      0.00000
    160       4.2270      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.9642      1.00000
      3     -21.8950      1.00000
      4     -21.3822      1.00000
      5     -21.3530      1.00000
      6     -20.8409      1.00000
      7     -20.7756      1.00000
      8     -20.6253      1.00000
      9     -20.0788      1.00000
     10     -20.0731      1.00000
     11     -19.7179      1.00000
     12     -19.6934      1.00000
     13     -18.9975      1.00000
     14     -18.9916      1.00000
     15     -18.6416      1.00000
     16     -18.6257      1.00000
     17     -18.4630      1.00000
     18     -17.6761      1.00000
     19     -17.6257      1.00000
     20     -17.6228      1.00000
     21     -17.5810      1.00000
     22     -17.1273      1.00000
     23     -17.1058      1.00000
     24     -16.9627      1.00000
     25     -16.0023      1.00000
     26     -15.9305      1.00000
     27     -15.5865      1.00000
     28     -15.5862      1.00000
     29     -15.2876      1.00000
     30     -14.8648      1.00000
     31     -14.8375      1.00000
     32     -14.5795      1.00000
     33     -14.5376      1.00000
     34     -14.1694      1.00000
     35     -14.1558      1.00000
     36     -13.1485      1.00000
     37     -13.1013      1.00000
     38     -13.0302      1.00000
     39     -13.0200      1.00000
     40     -12.7095      1.00000
     41     -12.7054      1.00000
     42     -12.3423      1.00000
     43     -12.3110      1.00000
     44     -11.6365      1.00000
     45     -11.6229      1.00000
     46     -11.5727      1.00000
     47     -10.9501      1.00000
     48     -10.9170      1.00000
     49     -10.6329      1.00000
     50     -10.6248      1.00000
     51     -10.5479      1.00000
     52     -10.5002      1.00000
     53     -10.4999      1.00000
     54     -10.4399      1.00000
     55     -10.3607      1.00000
     56     -10.1001      1.00000
     57      -9.9042      1.00000
     58      -9.6088      1.00000
     59      -9.5565      1.00000
     60      -9.4530      1.00000
     61      -9.4126      1.00000
     62      -9.4057      1.00000
     63      -9.3776      1.00000
     64      -9.3772      1.00000
     65      -9.2880      1.00000
     66      -9.1691      1.00000
     67      -9.1435      1.00000
     68      -9.1152      1.00000
     69      -8.8652      1.00000
     70      -8.8576      1.00000
     71      -8.8157      1.00000
     72      -8.5975      1.00000
     73      -8.4805      1.00000
     74      -8.1991      1.00000
     75      -8.1637      1.00000
     76      -8.0093      1.00000
     77      -7.9640      1.00000
     78      -7.8507      1.00000
     79      -7.8406      1.00000
     80      -7.7044      1.00000
     81      -7.6971      1.00000
     82      -7.6224      1.00000
     83      -7.4491      1.00000
     84      -7.3009      1.00000
     85      -7.2533      1.00000
     86      -6.9065      1.00000
     87      -6.8928      1.00000
     88      -6.5890      1.00000
     89      -6.5515      1.00000
     90      -6.4063      1.00000
     91      -6.2537      1.00000
     92      -6.2330      1.00000
     93      -6.2056      1.00000
     94      -6.0232      1.00000
     95      -5.5502      1.00000
     96      -5.4891      1.00000
     97      -5.3505      1.00000
     98      -5.2198      1.00000
     99      -4.9795      1.00000
    100      -4.7327      1.00000
    101      -4.6781      1.00000
    102      -4.3875      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5464      1.00000
    106      -3.5100      1.00000
    107      -2.2563      0.00000
    108      -1.4566      0.00000
    109      -1.3713      0.00000
    110      -1.2418      0.00000
    111      -1.0979      0.00000
    112      -0.9450      0.00000
    113      -0.8637      0.00000
    114      -0.8033      0.00000
    115      -0.1393      0.00000
    116       0.1111      0.00000
    117       0.2407      0.00000
    118       0.3776      0.00000
    119       0.6518      0.00000
    120       0.8359      0.00000
    121       0.9366      0.00000
    122       1.0639      0.00000
    123       1.2335      0.00000
    124       1.4483      0.00000
    125       1.5514      0.00000
    126       1.7664      0.00000
    127       1.7937      0.00000
    128       1.8754      0.00000
    129       1.9703      0.00000
    130       2.0451      0.00000
    131       2.1769      0.00000
    132       2.1947      0.00000
    133       2.4111      0.00000
    134       2.4629      0.00000
    135       2.5315      0.00000
    136       2.6043      0.00000
    137       2.6382      0.00000
    138       2.6960      0.00000
    139       2.7813      0.00000
    140       2.8357      0.00000
    141       2.9502      0.00000
    142       3.0860      0.00000
    143       3.2026      0.00000
    144       3.2119      0.00000
    145       3.2601      0.00000
    146       3.3275      0.00000
    147       3.3354      0.00000
    148       3.4684      0.00000
    149       3.5006      0.00000
    150       3.6986      0.00000
    151       3.7115      0.00000
    152       3.7275      0.00000
    153       3.8583      0.00000
    154       3.9145      0.00000
    155       3.9493      0.00000
    156       3.9813      0.00000
    157       4.0174      0.00000
    158       4.0344      0.00000
    159       4.0518      0.00000
    160       4.0723      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2119      1.00000
      2     -22.1189      1.00000
      3     -21.9582      1.00000
      4     -21.4057      1.00000
      5     -21.0511      1.00000
      6     -21.0151      1.00000
      7     -20.5019      1.00000
      8     -20.4625      1.00000
      9     -20.2961      1.00000
     10     -20.2768      1.00000
     11     -19.9587      1.00000
     12     -19.8930      1.00000
     13     -18.8836      1.00000
     14     -18.8148      1.00000
     15     -18.3538      1.00000
     16     -18.3076      1.00000
     17     -18.1540      1.00000
     18     -18.1368      1.00000
     19     -17.8277      1.00000
     20     -17.7901      1.00000
     21     -17.2525      1.00000
     22     -17.2425      1.00000
     23     -17.1655      1.00000
     24     -17.1337      1.00000
     25     -16.1110      1.00000
     26     -15.8865      1.00000
     27     -15.8712      1.00000
     28     -15.8350      1.00000
     29     -15.2371      1.00000
     30     -14.5559      1.00000
     31     -14.5280      1.00000
     32     -14.2808      1.00000
     33     -13.9645      1.00000
     34     -13.9570      1.00000
     35     -13.8209      1.00000
     36     -13.8051      1.00000
     37     -13.6154      1.00000
     38     -13.5716      1.00000
     39     -13.3710      1.00000
     40     -12.6354      1.00000
     41     -12.1816      1.00000
     42     -12.1336      1.00000
     43     -12.0730      1.00000
     44     -12.0207      1.00000
     45     -11.6701      1.00000
     46     -11.6566      1.00000
     47     -11.1395      1.00000
     48     -11.1189      1.00000
     49     -10.7954      1.00000
     50     -10.7319      1.00000
     51     -10.5295      1.00000
     52     -10.2091      1.00000
     53     -10.2064      1.00000
     54     -10.1654      1.00000
     55     -10.0184      1.00000
     56     -10.0049      1.00000
     57      -9.9913      1.00000
     58      -9.8019      1.00000
     59      -9.7980      1.00000
     60      -9.7627      1.00000
     61      -9.7579      1.00000
     62      -9.4552      1.00000
     63      -9.4180      1.00000
     64      -9.0810      1.00000
     65      -9.0729      1.00000
     66      -9.0413      1.00000
     67      -8.9558      1.00000
     68      -8.8779      1.00000
     69      -8.7126      1.00000
     70      -8.7003      1.00000
     71      -8.5664      1.00000
     72      -8.5436      1.00000
     73      -8.4998      1.00000
     74      -8.4630      1.00000
     75      -8.4538      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0438      1.00000
     79      -7.9160      1.00000
     80      -7.8635      1.00000
     81      -7.6152      1.00000
     82      -7.5489      1.00000
     83      -7.4902      1.00000
     84      -7.2681      1.00000
     85      -6.9955      1.00000
     86      -6.9233      1.00000
     87      -6.8823      1.00000
     88      -6.5327      1.00000
     89      -6.4874      1.00000
     90      -6.4615      1.00000
     91      -6.4105      1.00000
     92      -5.9841      1.00000
     93      -5.8976      1.00000
     94      -5.7847      1.00000
     95      -5.7598      1.00000
     96      -5.4323      1.00000
     97      -5.3294      1.00000
     98      -5.2304      1.00000
     99      -5.2179      1.00000
    100      -5.1885      1.00000
    101      -4.6922      1.00000
    102      -4.4215      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5292      1.00000
    106      -3.2742      1.00000
    107      -2.5312      0.00000
    108      -1.4581      0.00000
    109      -1.2667      0.00000
    110      -1.2029      0.00000
    111      -1.1725      0.00000
    112      -0.7197      0.00000
    113      -0.5035      0.00000
    114      -0.4119      0.00000
    115      -0.3395      0.00000
    116      -0.1459      0.00000
    117      -0.0028      0.00000
    118       0.1939      0.00000
    119       0.5613      0.00000
    120       0.6125      0.00000
    121       0.7963      0.00000
    122       0.9070      0.00000
    123       1.1326      0.00000
    124       1.4941      0.00000
    125       1.6352      0.00000
    126       1.8547      0.00000
    127       1.9279      0.00000
    128       2.1063      0.00000
    129       2.1165      0.00000
    130       2.1543      0.00000
    131       2.1889      0.00000
    132       2.2799      0.00000
    133       2.3415      0.00000
    134       2.4694      0.00000
    135       2.5818      0.00000
    136       2.6589      0.00000
    137       2.8551      0.00000
    138       2.8717      0.00000
    139       2.8941      0.00000
    140       3.0223      0.00000
    141       3.0289      0.00000
    142       3.1409      0.00000
    143       3.1845      0.00000
    144       3.2361      0.00000
    145       3.2761      0.00000
    146       3.2848      0.00000
    147       3.3007      0.00000
    148       3.3471      0.00000
    149       3.4242      0.00000
    150       3.4457      0.00000
    151       3.5543      0.00000
    152       3.6245      0.00000
    153       3.7103      0.00000
    154       3.7340      0.00000
    155       3.7736      0.00000
    156       3.8950      0.00000
    157       3.9438      0.00000
    158       4.0074      0.00000
    159       4.1328      0.00000
    160       4.2256      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3187      1.00000
      2     -21.9657      1.00000
      3     -21.8935      1.00000
      4     -21.3859      1.00000
      5     -21.3495      1.00000
      6     -20.8407      1.00000
      7     -20.7743      1.00000
      8     -20.6262      1.00000
      9     -20.0907      1.00000
     10     -20.0619      1.00000
     11     -19.7195      1.00000
     12     -19.6907      1.00000
     13     -19.0108      1.00000
     14     -18.9797      1.00000
     15     -18.6507      1.00000
     16     -18.6180      1.00000
     17     -18.4616      1.00000
     18     -17.6613      1.00000
     19     -17.6476      1.00000
     20     -17.6114      1.00000
     21     -17.5789      1.00000
     22     -17.1380      1.00000
     23     -17.0981      1.00000
     24     -16.9664      1.00000
     25     -16.0087      1.00000
     26     -15.9239      1.00000
     27     -15.5998      1.00000
     28     -15.5763      1.00000
     29     -15.2804      1.00000
     30     -14.8775      1.00000
     31     -14.8304      1.00000
     32     -14.5753      1.00000
     33     -14.5375      1.00000
     34     -14.1644      1.00000
     35     -14.1604      1.00000
     36     -13.1627      1.00000
     37     -13.0969      1.00000
     38     -13.0238      1.00000
     39     -13.0190      1.00000
     40     -12.7185      1.00000
     41     -12.6952      1.00000
     42     -12.3414      1.00000
     43     -12.3142      1.00000
     44     -11.6319      1.00000
     45     -11.6227      1.00000
     46     -11.5707      1.00000
     47     -10.9412      1.00000
     48     -10.9234      1.00000
     49     -10.6695      1.00000
     50     -10.5902      1.00000
     51     -10.5736      1.00000
     52     -10.5011      1.00000
     53     -10.4897      1.00000
     54     -10.4394      1.00000
     55     -10.3568      1.00000
     56     -10.1045      1.00000
     57      -9.8985      1.00000
     58      -9.6092      1.00000
     59      -9.5520      1.00000
     60      -9.4548      1.00000
     61      -9.4181      1.00000
     62      -9.4099      1.00000
     63      -9.3799      1.00000
     64      -9.3728      1.00000
     65      -9.2681      1.00000
     66      -9.1653      1.00000
     67      -9.1413      1.00000
     68      -9.1159      1.00000
     69      -8.8663      1.00000
     70      -8.8603      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1933      1.00000
     75      -8.1707      1.00000
     76      -8.0762      1.00000
     77      -7.8580      1.00000
     78      -7.8372      1.00000
     79      -7.8242      1.00000
     80      -7.7106      1.00000
     81      -7.6962      1.00000
     82      -7.5978      1.00000
     83      -7.5301      1.00000
     84      -7.3507      1.00000
     85      -7.1680      1.00000
     86      -6.9052      1.00000
     87      -6.8959      1.00000
     88      -6.5928      1.00000
     89      -6.5516      1.00000
     90      -6.4062      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2010      1.00000
     94      -6.0042      1.00000
     95      -5.5320      1.00000
     96      -5.4654      1.00000
     97      -5.3143      1.00000
     98      -5.2097      1.00000
     99      -5.0470      1.00000
    100      -4.7236      1.00000
    101      -4.6717      1.00000
    102      -4.4239      1.00000
    103      -4.1948      1.00000
    104      -3.8428      1.00000
    105      -3.6345      1.00000
    106      -3.4163      1.00000
    107      -2.2925      0.00000
    108      -1.5094      0.00000
    109      -1.2700      0.00000
    110      -1.2623      0.00000
    111      -1.0343      0.00000
    112      -0.9778      0.00000
    113      -0.8681      0.00000
    114      -0.7998      0.00000
    115      -0.2616      0.00000
    116       0.2044      0.00000
    117       0.2395      0.00000
    118       0.3600      0.00000
    119       0.6910      0.00000
    120       0.8942      0.00000
    121       0.9239      0.00000
    122       1.0406      0.00000
    123       1.1671      0.00000
    124       1.5100      0.00000
    125       1.5602      0.00000
    126       1.7115      0.00000
    127       1.7789      0.00000
    128       1.8344      0.00000
    129       1.9642      0.00000
    130       1.9859      0.00000
    131       2.1855      0.00000
    132       2.2629      0.00000
    133       2.4162      0.00000
    134       2.4689      0.00000
    135       2.5295      0.00000
    136       2.6008      0.00000
    137       2.6188      0.00000
    138       2.6994      0.00000
    139       2.7610      0.00000
    140       2.8650      0.00000
    141       3.0366      0.00000
    142       3.0840      0.00000
    143       3.1908      0.00000
    144       3.2483      0.00000
    145       3.2620      0.00000
    146       3.3001      0.00000
    147       3.3601      0.00000
    148       3.4534      0.00000
    149       3.5214      0.00000
    150       3.6922      0.00000
    151       3.7173      0.00000
    152       3.7490      0.00000
    153       3.8316      0.00000
    154       3.8928      0.00000
    155       3.9352      0.00000
    156       3.9804      0.00000
    157       4.0100      0.00000
    158       4.0442      0.00000
    159       4.0496      0.00000
    160       4.0857      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8321      1.00000
      3     -21.6427      1.00000
      4     -21.6077      1.00000
      5     -21.2800      1.00000
      6     -21.2330      1.00000
      7     -21.0577      1.00000
      8     -20.1726      1.00000
      9     -20.1264      1.00000
     10     -19.6179      1.00000
     11     -19.5917      1.00000
     12     -19.4167      1.00000
     13     -19.0956      1.00000
     14     -19.0569      1.00000
     15     -19.0525      1.00000
     16     -19.0398      1.00000
     17     -18.3676      1.00000
     18     -18.3479      1.00000
     19     -18.0176      1.00000
     20     -17.0731      1.00000
     21     -17.0243      1.00000
     22     -16.9503      1.00000
     23     -16.9365      1.00000
     24     -16.4753      1.00000
     25     -16.4634      1.00000
     26     -15.6101      1.00000
     27     -15.6096      1.00000
     28     -15.2505      1.00000
     29     -15.2384      1.00000
     30     -15.1923      1.00000
     31     -15.1022      1.00000
     32     -15.0692      1.00000
     33     -14.6988      1.00000
     34     -14.6979      1.00000
     35     -13.7254      1.00000
     36     -13.7253      1.00000
     37     -13.2359      1.00000
     38     -12.6247      1.00000
     39     -12.5806      1.00000
     40     -12.4555      1.00000
     41     -12.4502      1.00000
     42     -12.1053      1.00000
     43     -12.1004      1.00000
     44     -11.7219      1.00000
     45     -11.6833      1.00000
     46     -11.2456      1.00000
     47     -11.2250      1.00000
     48     -11.0182      1.00000
     49     -11.0065      1.00000
     50     -10.9281      1.00000
     51     -10.8994      1.00000
     52     -10.6377      1.00000
     53     -10.1729      1.00000
     54     -10.1500      1.00000
     55     -10.0852      1.00000
     56      -9.9927      1.00000
     57      -9.6967      1.00000
     58      -9.6901      1.00000
     59      -9.6710      1.00000
     60      -9.5915      1.00000
     61      -9.5675      1.00000
     62      -9.5543      1.00000
     63      -9.3132      1.00000
     64      -9.3006      1.00000
     65      -9.2837      1.00000
     66      -9.2431      1.00000
     67      -9.1227      1.00000
     68      -9.1130      1.00000
     69      -9.1113      1.00000
     70      -8.9401      1.00000
     71      -8.8753      1.00000
     72      -8.6049      1.00000
     73      -8.5862      1.00000
     74      -8.2712      1.00000
     75      -8.1016      1.00000
     76      -7.8676      1.00000
     77      -7.8440      1.00000
     78      -7.7908      1.00000
     79      -7.7650      1.00000
     80      -7.7560      1.00000
     81      -7.4473      1.00000
     82      -7.3350      1.00000
     83      -7.3235      1.00000
     84      -7.2664      1.00000
     85      -7.1628      1.00000
     86      -7.0148      1.00000
     87      -6.9867      1.00000
     88      -6.7179      1.00000
     89      -6.6908      1.00000
     90      -6.6319      1.00000
     91      -6.5908      1.00000
     92      -6.1179      1.00000
     93      -6.0590      1.00000
     94      -6.0448      1.00000
     95      -6.0286      1.00000
     96      -5.7481      1.00000
     97      -4.9748      1.00000
     98      -4.8397      1.00000
     99      -4.7091      1.00000
    100      -4.6735      1.00000
    101      -4.4837      1.00000
    102      -4.3523      1.00000
    103      -4.1119      1.00000
    104      -4.0556      1.00000
    105      -3.7550      1.00000
    106      -3.4654      1.00000
    107      -1.9506      0.00000
    108      -1.7711      0.00000
    109      -1.4798      0.00000
    110      -1.3555      0.00000
    111      -1.3359      0.00000
    112      -1.2926      0.00000
    113      -0.6785      0.00000
    114      -0.4719      0.00000
    115      -0.2355      0.00000
    116       0.0516      0.00000
    117       0.5876      0.00000
    118       0.6924      0.00000
    119       0.7701      0.00000
    120       1.0228      0.00000
    121       1.0970      0.00000
    122       1.1767      0.00000
    123       1.2501      0.00000
    124       1.3349      0.00000
    125       1.4337      0.00000
    126       1.6005      0.00000
    127       1.7647      0.00000
    128       1.8428      0.00000
    129       1.8603      0.00000
    130       1.8877      0.00000
    131       2.0461      0.00000
    132       2.2178      0.00000
    133       2.2331      0.00000
    134       2.2870      0.00000
    135       2.4811      0.00000
    136       2.6204      0.00000
    137       2.6441      0.00000
    138       2.7537      0.00000
    139       2.7982      0.00000
    140       2.8363      0.00000
    141       2.8484      0.00000
    142       2.8736      0.00000
    143       2.9490      0.00000
    144       3.0866      0.00000
    145       3.3168      0.00000
    146       3.3562      0.00000
    147       3.4089      0.00000
    148       3.4215      0.00000
    149       3.4265      0.00000
    150       3.6060      0.00000
    151       3.6531      0.00000
    152       3.6794      0.00000
    153       3.7324      0.00000
    154       3.8970      0.00000
    155       3.9264      0.00000
    156       3.9581      0.00000
    157       4.1084      0.00000
    158       4.2078      0.00000
    159       4.2599      0.00000
    160       4.2852      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2110      1.00000
      2     -22.1203      1.00000
      3     -21.9579      1.00000
      4     -21.4058      1.00000
      5     -21.0472      1.00000
      6     -21.0189      1.00000
      7     -20.4971      1.00000
      8     -20.4672      1.00000
      9     -20.2873      1.00000
     10     -20.2853      1.00000
     11     -19.9576      1.00000
     12     -19.8945      1.00000
     13     -18.8842      1.00000
     14     -18.8166      1.00000
     15     -18.3386      1.00000
     16     -18.3195      1.00000
     17     -18.1499      1.00000
     18     -18.1424      1.00000
     19     -17.8166      1.00000
     20     -17.7986      1.00000
     21     -17.2587      1.00000
     22     -17.2391      1.00000
     23     -17.1608      1.00000
     24     -17.1360      1.00000
     25     -16.1175      1.00000
     26     -15.8812      1.00000
     27     -15.8701      1.00000
     28     -15.8409      1.00000
     29     -15.2314      1.00000
     30     -14.5513      1.00000
     31     -14.5330      1.00000
     32     -14.2761      1.00000
     33     -13.9756      1.00000
     34     -13.9519      1.00000
     35     -13.8253      1.00000
     36     -13.8030      1.00000
     37     -13.6044      1.00000
     38     -13.5792      1.00000
     39     -13.3712      1.00000
     40     -12.6396      1.00000
     41     -12.1691      1.00000
     42     -12.1428      1.00000
     43     -12.0685      1.00000
     44     -12.0217      1.00000
     45     -11.6655      1.00000
     46     -11.6608      1.00000
     47     -11.1369      1.00000
     48     -11.1258      1.00000
     49     -10.7906      1.00000
     50     -10.7344      1.00000
     51     -10.5361      1.00000
     52     -10.2090      1.00000
     53     -10.2028      1.00000
     54     -10.1711      1.00000
     55     -10.0233      1.00000
     56      -9.9948      1.00000
     57      -9.9907      1.00000
     58      -9.8055      1.00000
     59      -9.7965      1.00000
     60      -9.7649      1.00000
     61      -9.7570      1.00000
     62      -9.4545      1.00000
     63      -9.4179      1.00000
     64      -9.0852      1.00000
     65      -9.0463      1.00000
     66      -9.0260      1.00000
     67      -8.9698      1.00000
     68      -8.8982      1.00000
     69      -8.7086      1.00000
     70      -8.6994      1.00000
     71      -8.5600      1.00000
     72      -8.5493      1.00000
     73      -8.4782      1.00000
     74      -8.4599      1.00000
     75      -8.4571      1.00000
     76      -8.3087      1.00000
     77      -8.0955      1.00000
     78      -8.0896      1.00000
     79      -7.9269      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5369      1.00000
     83      -7.4438      1.00000
     84      -7.3142      1.00000
     85      -6.9942      1.00000
     86      -6.9195      1.00000
     87      -6.8825      1.00000
     88      -6.5277      1.00000
     89      -6.5150      1.00000
     90      -6.4809      1.00000
     91      -6.4208      1.00000
     92      -5.9273      1.00000
     93      -5.9054      1.00000
     94      -5.7890      1.00000
     95      -5.7751      1.00000
     96      -5.3695      1.00000
     97      -5.3633      1.00000
     98      -5.2205      1.00000
     99      -5.2155      1.00000
    100      -5.1989      1.00000
    101      -4.7204      1.00000
    102      -4.4424      1.00000
    103      -4.1909      1.00000
    104      -3.8204      1.00000
    105      -3.5655      1.00000
    106      -3.2215      1.00000
    107      -2.5626      0.00000
    108      -1.4632      0.00000
    109      -1.2673      0.00000
    110      -1.1852      0.00000
    111      -1.1837      0.00000
    112      -0.6447      0.00000
    113      -0.5514      0.00000
    114      -0.4147      0.00000
    115      -0.3474      0.00000
    116      -0.0776      0.00000
    117      -0.0633      0.00000
    118       0.1259      0.00000
    119       0.5931      0.00000
    120       0.6265      0.00000
    121       0.8552      0.00000
    122       0.9858      0.00000
    123       1.0035      0.00000
    124       1.4943      0.00000
    125       1.6841      0.00000
    126       1.7667      0.00000
    127       1.8622      0.00000
    128       2.1150      0.00000
    129       2.1491      0.00000
    130       2.1902      0.00000
    131       2.2103      0.00000
    132       2.2570      0.00000
    133       2.3557      0.00000
    134       2.4944      0.00000
    135       2.5127      0.00000
    136       2.6665      0.00000
    137       2.8526      0.00000
    138       2.8595      0.00000
    139       2.9547      0.00000
    140       3.0102      0.00000
    141       3.0430      0.00000
    142       3.1357      0.00000
    143       3.1970      0.00000
    144       3.2456      0.00000
    145       3.2551      0.00000
    146       3.2812      0.00000
    147       3.3035      0.00000
    148       3.3548      0.00000
    149       3.4208      0.00000
    150       3.5507      0.00000
    151       3.5663      0.00000
    152       3.6478      0.00000
    153       3.6647      0.00000
    154       3.7060      0.00000
    155       3.7313      0.00000
    156       3.8972      0.00000
    157       3.9639      0.00000
    158       4.0392      0.00000
    159       4.0773      0.00000
    160       4.1865      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2845      1.00000
      2     -22.0799      1.00000
      3     -21.7215      1.00000
      4     -21.6823      1.00000
      5     -20.9840      1.00000
      6     -20.9362      1.00000
      7     -20.6125      1.00000
      8     -20.5803      1.00000
      9     -20.5667      1.00000
     10     -20.0333      1.00000
     11     -19.5143      1.00000
     12     -19.4842      1.00000
     13     -19.3123      1.00000
     14     -19.2993      1.00000
     15     -18.4506      1.00000
     16     -18.4074      1.00000
     17     -17.9283      1.00000
     18     -17.9079      1.00000
     19     -17.7668      1.00000
     20     -17.7218      1.00000
     21     -17.4423      1.00000
     22     -17.4238      1.00000
     23     -17.3389      1.00000
     24     -16.4714      1.00000
     25     -16.4612      1.00000
     26     -15.9714      1.00000
     27     -15.4115      1.00000
     28     -15.4106      1.00000
     29     -15.0964      1.00000
     30     -15.0934      1.00000
     31     -14.8536      1.00000
     32     -14.8412      1.00000
     33     -14.2985      1.00000
     34     -14.2547      1.00000
     35     -13.4448      1.00000
     36     -13.4010      1.00000
     37     -13.1755      1.00000
     38     -13.1741      1.00000
     39     -12.9865      1.00000
     40     -12.9775      1.00000
     41     -12.6110      1.00000
     42     -12.6089      1.00000
     43     -12.1974      1.00000
     44     -11.5798      1.00000
     45     -11.5387      1.00000
     46     -11.3137      1.00000
     47     -11.2834      1.00000
     48     -11.1425      1.00000
     49     -10.6926      1.00000
     50     -10.6633      1.00000
     51     -10.5475      1.00000
     52     -10.3228      1.00000
     53     -10.3151      1.00000
     54     -10.1762      1.00000
     55     -10.1215      1.00000
     56     -10.1082      1.00000
     57      -9.8120      1.00000
     58      -9.7530      1.00000
     59      -9.7525      1.00000
     60      -9.7027      1.00000
     61      -9.6988      1.00000
     62      -9.6473      1.00000
     63      -9.3530      1.00000
     64      -9.3516      1.00000
     65      -9.3180      1.00000
     66      -9.0283      1.00000
     67      -8.9619      1.00000
     68      -8.9581      1.00000
     69      -8.7758      1.00000
     70      -8.5917      1.00000
     71      -8.5886      1.00000
     72      -8.4241      1.00000
     73      -8.3500      1.00000
     74      -8.3226      1.00000
     75      -8.3024      1.00000
     76      -8.2658      1.00000
     77      -8.2542      1.00000
     78      -8.2394      1.00000
     79      -7.9217      1.00000
     80      -7.7341      1.00000
     81      -7.3799      1.00000
     82      -7.3503      1.00000
     83      -7.3237      1.00000
     84      -7.2176      1.00000
     85      -7.1605      1.00000
     86      -7.0654      1.00000
     87      -6.9610      1.00000
     88      -6.9054      1.00000
     89      -6.6134      1.00000
     90      -6.5569      1.00000
     91      -6.2710      1.00000
     92      -5.9968      1.00000
     93      -5.9596      1.00000
     94      -5.6754      1.00000
     95      -5.6488      1.00000
     96      -5.3875      1.00000
     97      -5.3152      1.00000
     98      -5.2941      1.00000
     99      -5.2121      1.00000
    100      -5.2005      1.00000
    101      -4.5115      1.00000
    102      -4.3388      1.00000
    103      -3.9965      1.00000
    104      -3.8860      1.00000
    105      -3.7929      1.00000
    106      -3.4433      1.00000
    107      -2.0345      0.00000
    108      -1.8634      0.00000
    109      -1.2176      0.00000
    110      -1.1842      0.00000
    111      -1.0358      0.00000
    112      -0.7722      0.00000
    113      -0.6773      0.00000
    114      -0.6599      0.00000
    115      -0.6097      0.00000
    116      -0.1017      0.00000
    117       0.2226      0.00000
    118       0.2397      0.00000
    119       0.7698      0.00000
    120       0.9840      0.00000
    121       1.0739      0.00000
    122       1.2415      0.00000
    123       1.2511      0.00000
    124       1.3410      0.00000
    125       1.5786      0.00000
    126       1.5852      0.00000
    127       1.7028      0.00000
    128       1.7990      0.00000
    129       1.9467      0.00000
    130       1.9625      0.00000
    131       2.0871      0.00000
    132       2.2961      0.00000
    133       2.3426      0.00000
    134       2.4166      0.00000
    135       2.5445      0.00000
    136       2.6296      0.00000
    137       2.7689      0.00000
    138       2.8327      0.00000
    139       2.8437      0.00000
    140       2.8693      0.00000
    141       3.0500      0.00000
    142       3.1008      0.00000
    143       3.1532      0.00000
    144       3.2229      0.00000
    145       3.3751      0.00000
    146       3.4147      0.00000
    147       3.5059      0.00000
    148       3.5533      0.00000
    149       3.5909      0.00000
    150       3.6126      0.00000
    151       3.6496      0.00000
    152       3.7360      0.00000
    153       3.7455      0.00000
    154       3.7799      0.00000
    155       3.8195      0.00000
    156       3.8781      0.00000
    157       4.0224      0.00000
    158       4.0871      0.00000
    159       4.1700      0.00000
    160       4.2130      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0417   -7.3901    4.1982   -1.2758   -0.2386   17.5938    0.1473   -0.5324    0.6338   -0.4648
x    -3.0926   -0.0374   -0.0631    0.0616   -0.0091   -2.9773   -0.0109   -0.0070    0.0049    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0417    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0940   -0.0087    0.0374    0.0377
y    -0.0458   -3.2478   -0.5380   -0.1636   -1.1810   -0.6054
z   204.0417    1.1260   -0.2804    0.0408    0.0090    0.0616    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0777    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1654
z    -0.2831    0.1873   -0.0390    0.0470   -0.1050    0.0013
 total charge-density along one line
x   212.0000  -10.2204    6.1463   -2.0858   -0.4744   19.5111   -0.9959    0.4742   -0.0449   -0.1261
x    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2204    6.1463   -2.0858   -0.4744   19.5112   -0.9959    0.4742   -0.0449   -0.1261
y    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4925  189.2923 -170.3678  153.6507 -139.4373  125.4334 -110.1198   93.9731  -78.3592
z    64.1499  -51.4976   40.4325  -31.2272   24.1310  -18.9484   15.0349  -11.7219    8.7173   -6.1226
z     4.1323   -2.7605    1.8231   -1.1123    0.5408   -0.1279   -0.1105    0.2273   -0.3090    0.4000
z    -0.4767    0.4932   -0.4398    0.3547   -0.2860    0.2512   -0.2335    0.2088   -0.1709    0.1317
z    -0.1037    0.0880   -0.0768    0.0637   -0.0490    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0074    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.030   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.585  -0.238   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.368  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.263   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.261   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.649
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.781   0.000   2.640
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.783   0.000   2.647
 28        0.864   1.785   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.785   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.646
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.860   1.781   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.649
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.870  89.435   8.029 142.334
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  114.14: CPU time   57.69
    FORLOC:  VPU time    1.24: CPU time    1.24
    FORNL :  VPU time  440.10: CPU time  226.86
    STRESS:  VPU time 1326.52: CPU time  670.08
    FORCOR:  VPU time    8.70: CPU time    8.70
    FORHAR:  VPU time    2.29: CPU time    2.29
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force =-0.2605108E-09[-0.260E-09,-0.261E-09]  d Energy = 0.3479727E-08-0.374E-08
 d Force =-0.1559162E-04[-0.156E-04,-0.156E-04]  d Ewald  = 0.1384704E-03-0.154E-03


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726418 eV

  energy  without entropy=     -471.726418  energy(sigma->0) =     -471.726418
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40850.02  40804.52 -47548.84    -39.40      0.00      0.00
  Hartree  40274.04  40254.95 -39532.79    -16.53      0.00      0.00
  E(xc)     -779.46   -779.75   -807.39     -0.25      0.00      0.00
  Local   -83408.04 -83352.48  84396.36     48.11      0.00      0.00
  n-local   -216.85   -215.73   -203.41      0.70      0.00      0.00
  augment     20.05     22.04     17.81      1.73      0.00      0.00
  Kinetic   3162.58   3176.29   3584.10      3.52      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.00      0.05     -0.22      0.04      0.00      0.00
  in kB        0.00      0.03     -0.13      0.02      0.00      0.00
  external pressure =       -0.03 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345139600  0.000690037  0.000000000     0.081000926  0.046759937  0.000000000
    -6.171978853 10.691545603  0.000000000    -0.000005228  0.093528828  0.000000000
     0.000000000  0.000000000 19.986394532     0.000000000  0.000000000  0.050034037

  length of vectors
    12.345139619 12.345139543 19.986394532     0.093528828  0.093528829  0.050034037


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.477E-05 -.490E-04 -.951E+03   0.448E-05 -.278E-04 0.960E+03   0.509E-20 0.170E-20 -.869E+01   -.461E-10 0.336E-10 -.246E-04
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   -.283E-05 0.887E-06 0.559E-06
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   0.283E-05 -.887E-06 0.559E-06
   -.206E+01 0.119E+01 0.163E+02   0.206E+01 -.119E+01 -.162E+02   -.327E-02 0.189E-02 -.242E-01   0.743E-06 -.341E-05 0.255E-05
   0.616E+01 0.684E+01 0.194E+02   -.616E+01 -.686E+01 -.193E+02   0.844E-03 0.215E-01 -.272E-01   -.250E-05 -.635E-06 0.259E-05
   0.112E+02 0.510E+01 0.162E+02   -.112E+02 -.510E+01 -.161E+02   0.202E-01 0.844E-02 -.479E-01   -.433E-05 0.144E-05 0.544E-05
   0.471E+01 -.883E+00 0.126E+02   -.473E+01 0.892E+00 -.126E+02   0.146E-01 -.735E-02 -.175E-01   -.194E-05 -.231E-05 0.808E-05
   -.308E+01 -.252E+01 0.126E+02   0.308E+01 0.252E+01 -.126E+02   -.140E-02 0.273E-02 -.130E-01   0.113E-05 -.521E-05 0.489E-05
   0.645E+00 0.393E+01 0.126E+02   -.646E+00 -.393E+01 -.126E+02   -.307E-02 -.155E-03 -.130E-01   -.458E-06 -.456E-05 0.161E-05
   0.242E+01 0.189E+02 0.240E+02   -.242E+01 -.190E+02 -.240E+02   -.233E-02 0.103E+00 -.486E-01   -.118E-05 -.472E-05 0.537E-06
   0.226E+02 0.214E+02 0.423E+02   -.227E+02 -.216E+02 -.422E+02   0.771E-01 0.262E+00 -.607E-01   -.665E-05 -.300E-05 0.517E-07
   0.268E+02 -.343E+01 0.256E+02   -.271E+02 0.355E+01 -.256E+02   0.269E+00 -.109E+00 -.338E-01   -.861E-05 -.173E-05 0.369E-05
   0.914E+01 -.527E+01 0.136E+02   -.918E+01 0.530E+01 -.136E+02   0.422E-01 -.244E-01 -.121E-01   -.382E-05 -.421E-05 0.341E-05
   0.312E+01 -.364E+01 0.126E+02   -.314E+01 0.365E+01 -.126E+02   0.137E-01 -.899E-02 -.175E-01   -.122E-05 -.145E-05 0.510E-06
   -.593E+01 0.136E+02 0.161E+02   0.593E+01 -.137E+02 -.161E+02   -.114E-02 0.715E-01 -.520E-01   0.215E-05 -.293E-05 -.673E-08
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.315E-01 0.613E+00 0.294E+00   0.295E-05 -.541E-05 -.425E-05
   0.236E+02 -.136E+02 0.940E+02   -.243E+02 0.140E+02 -.961E+02   0.636E+00 -.367E+00 0.205E+01   -.479E-05 0.965E-07 -.772E-05
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.229E+00 -.178E+00 -.338E-01   -.508E-05 0.579E-06 -.682E-06
   0.119E+01 -.122E+02 0.162E+02   -.119E+01 0.123E+02 -.161E+02   0.280E-02 -.217E-01 -.479E-01   -.201E-06 0.190E-05 0.488E-06
   -.414E+01 0.192E+01 0.116E+02   0.414E+01 -.193E+01 -.116E+02   -.268E-03 0.997E-02 -.439E-01   0.194E-05 0.129E-05 0.157E-05
   -.193E+02 0.111E+02 0.217E+02   0.193E+02 -.112E+02 -.217E+02   -.506E-01 0.292E-01 -.433E-01   0.664E-05 -.730E-07 0.232E-05
   -.373E+02 -.785E+01 0.478E+02   0.378E+02 0.813E+01 -.481E+02   -.546E+00 -.279E+00 0.294E+00   0.947E-05 -.578E-06 -.144E-05
   -.718E+01 -.303E+02 0.423E+02   0.736E+01 0.305E+02 -.422E+02   -.188E+00 -.198E+00 -.607E-01   0.252E-05 0.272E-05 -.165E-05
   -.285E+01 -.876E+01 0.194E+02   0.286E+01 0.877E+01 -.193E+02   -.182E-01 -.115E-01 -.272E-01   0.114E-05 0.571E-06 0.192E-05
   0.139E+01 -.801E+00 0.134E+02   -.139E+01 0.803E+00 -.134E+02   0.124E-03 -.715E-04 -.179E-01   -.364E-06 0.235E-05 0.288E-05
   -.374E+01 0.263E+01 0.116E+02   0.374E+01 -.262E+01 -.116E+02   -.877E-02 -.475E-02 -.439E-01   0.172E-05 0.247E-05 0.586E-05
   -.148E+02 -.169E+01 0.161E+02   0.148E+02 0.172E+01 -.161E+02   -.625E-01 -.347E-01 -.520E-01   0.548E-05 -.191E-05 0.691E-05
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.905E-01 -.495E-01 -.486E-01   0.534E-05 -.193E-05 0.314E-05
   0.285E+01 0.876E+01 0.194E+02   -.286E+01 -.877E+01 -.193E+02   0.182E-01 0.115E-01 -.272E-01   -.114E-05 -.571E-06 0.192E-05
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.905E-01 0.495E-01 -.486E-01   -.534E-05 0.193E-05 0.314E-05
   0.148E+02 0.169E+01 0.161E+02   -.148E+02 -.172E+01 -.161E+02   0.625E-01 0.347E-01 -.520E-01   -.548E-05 0.191E-05 0.691E-05
   0.374E+01 -.262E+01 0.116E+02   -.374E+01 0.262E+01 -.116E+02   0.877E-02 0.475E-02 -.439E-01   -.172E-05 -.247E-05 0.586E-05
   -.139E+01 0.801E+00 0.134E+02   0.139E+01 -.803E+00 -.134E+02   -.124E-03 0.715E-04 -.179E-01   0.364E-06 -.235E-05 0.288E-05
   -.119E+01 0.122E+02 0.162E+02   0.119E+01 -.123E+02 -.161E+02   -.280E-02 0.217E-01 -.479E-01   0.201E-06 -.190E-05 0.488E-06
   0.718E+01 0.303E+02 0.423E+02   -.736E+01 -.305E+02 -.422E+02   0.188E+00 0.198E+00 -.607E-01   -.252E-05 -.272E-05 -.165E-05
   0.373E+02 0.785E+01 0.478E+02   -.378E+02 -.813E+01 -.481E+02   0.546E+00 0.279E+00 0.294E+00   -.947E-05 0.578E-06 -.144E-05
   0.193E+02 -.111E+02 0.217E+02   -.193E+02 0.112E+02 -.217E+02   0.506E-01 -.292E-01 -.433E-01   -.664E-05 0.730E-07 0.232E-05
   0.414E+01 -.192E+01 0.116E+02   -.414E+01 0.193E+01 -.116E+02   0.268E-03 -.997E-02 -.439E-01   -.194E-05 -.129E-05 0.157E-05
   -.312E+01 0.364E+01 0.126E+02   0.314E+01 -.365E+01 -.126E+02   -.137E-01 0.899E-02 -.175E-01   0.122E-05 0.145E-05 0.510E-06
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.229E+00 0.178E+00 -.338E-01   0.508E-05 -.579E-06 -.682E-06
   -.236E+02 0.136E+02 0.940E+02   0.243E+02 -.140E+02 -.961E+02   -.636E+00 0.367E+00 0.205E+01   0.479E-05 -.964E-07 -.772E-05
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.315E-01 -.613E+00 0.294E+00   -.295E-05 0.541E-05 -.425E-05
   0.593E+01 -.136E+02 0.161E+02   -.593E+01 0.137E+02 -.161E+02   0.114E-02 -.715E-01 -.520E-01   -.215E-05 0.293E-05 -.673E-08
   -.645E+00 -.393E+01 0.126E+02   0.646E+00 0.393E+01 -.126E+02   0.307E-02 0.155E-03 -.130E-01   0.458E-06 0.456E-05 0.161E-05
   -.914E+01 0.527E+01 0.136E+02   0.918E+01 -.530E+01 -.136E+02   -.422E-01 0.244E-01 -.121E-01   0.382E-05 0.421E-05 0.341E-05
   -.268E+02 0.343E+01 0.256E+02   0.271E+02 -.355E+01 -.256E+02   -.269E+00 0.109E+00 -.338E-01   0.861E-05 0.173E-05 0.369E-05
   -.226E+02 -.214E+02 0.423E+02   0.227E+02 0.216E+02 -.422E+02   -.771E-01 -.262E+00 -.607E-01   0.665E-05 0.300E-05 0.517E-07
   -.242E+01 -.189E+02 0.240E+02   0.242E+01 0.190E+02 -.240E+02   0.233E-02 -.103E+00 -.486E-01   0.118E-05 0.472E-05 0.537E-06
   0.206E+01 -.119E+01 0.163E+02   -.206E+01 0.119E+01 -.162E+02   0.327E-02 -.189E-02 -.242E-01   -.743E-06 0.341E-05 0.255E-05
   0.308E+01 0.252E+01 0.126E+02   -.308E+01 -.252E+01 -.126E+02   0.140E-02 -.273E-02 -.130E-01   -.113E-05 0.521E-05 0.489E-05
   -.471E+01 0.883E+00 0.126E+02   0.473E+01 -.892E+00 -.126E+02   -.146E-01 0.735E-02 -.175E-01   0.194E-05 0.231E-05 0.808E-05
   -.112E+02 -.510E+01 0.162E+02   0.112E+02 0.510E+01 -.161E+02   -.202E-01 -.844E-02 -.479E-01   0.433E-05 -.144E-05 0.544E-05
   -.616E+01 -.684E+01 0.194E+02   0.616E+01 0.686E+01 -.193E+02   -.844E-03 -.215E-01 -.272E-01   0.250E-05 0.635E-06 0.259E-05
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.289E-03 0.101E+02   -.400E-13 -.711E-13 -.554E-12   -.460E-15 0.451E-16 -.100E+02   -.229E-10 0.318E-10 0.619E-04
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85211      6.05884     12.26471         0.000000      0.000000      0.019015
      1.07497      6.50752     13.52421         0.001551     -0.000895      0.008859
      2.62924      5.61016     13.52421        -0.001551      0.000895      0.008859
      0.00015     -0.00009      9.91082        -0.002290      0.001322      0.000104
     -1.23474      2.13683      9.90948        -0.000406      0.001549      0.000054
     -2.46994      4.27634      9.92946        -0.002698      0.002253     -0.000361
     -3.70363      6.41501      9.93717        -0.002031      0.001458     -0.000853
     -4.93735      8.55322      9.92774        -0.004139      0.002117     -0.000482
      2.46916     -0.00006      9.92774        -0.003903      0.002526     -0.000482
      1.23392      2.13662      9.91901        -0.003395      0.001396     -0.001212
     -0.00265      4.27071      9.93152        -0.003658      0.003435     -0.002354
     -1.23832      6.41562      9.95362        -0.000257      0.001292     -0.001109
     -2.46890      8.55357      9.93904        -0.001093      0.000631      0.000609
      4.93776      0.00062      9.93717        -0.002278      0.001030     -0.000853
      3.70409      2.13669      9.94047        -0.001510     -0.000558     -0.001267
      2.46985      4.26841      9.96807        -0.003476      0.000963     -0.002326
      1.22909      6.41854      9.97430        -0.004661      0.002691      0.001554
     -0.00209      8.55684      9.95362        -0.001248     -0.000423     -0.001109
      7.40675      0.00155      9.92946        -0.003301      0.001210     -0.000361
      6.17243      2.13877      9.93579        -0.002976      0.001750     -0.000530
      4.93890      4.27668      9.94852         0.000470     -0.000272     -0.000055
      3.71153      6.41908      9.96807        -0.002572      0.002529     -0.002326
      2.47330      8.55917      9.93152        -0.004803      0.001450     -0.002354
      9.87722      0.00159      9.90948        -0.001544     -0.000423      0.000054
      8.64160      2.13893      9.92067        -0.003155      0.001821      0.000302
      7.40715      4.27737      9.93579        -0.003003      0.001703     -0.000530
      6.17478      6.41605      9.94047        -0.000272      0.001587     -0.001267
      4.93975      8.55531      9.91901        -0.002906      0.002242     -0.001212
     -0.00103      1.42455      9.90948         0.001544      0.000423      0.000054
     -1.23554      3.56237      9.91901         0.002906     -0.002242     -0.001212
     -2.47057      5.70163      9.94047         0.000272     -0.001587     -0.001267
     -3.70294      7.84032      9.93579         0.003003     -0.001703     -0.000530
     -4.93739      9.97876      9.92067         0.003155     -0.001821      0.000302
      2.46945      1.42459      9.92946         0.003301     -0.001210     -0.000361
      1.23091      3.55851      9.93152         0.004803     -0.001450     -0.002354
     -0.00732      5.69860      9.96807         0.002572     -0.002529     -0.002326
     -1.23469      7.84100      9.94852        -0.000470      0.000272     -0.000055
     -2.46822      9.97891      9.93579         0.002976     -0.001750     -0.000530
      4.93843      1.42552      9.93717         0.002278     -0.001030     -0.000853
      3.70630      3.56084      9.95362         0.001248      0.000423     -0.001109
      2.47512      5.69914      9.97430         0.004661     -0.002691      0.001554
      1.23437      7.84927      9.96807         0.003476     -0.000963     -0.002326
      0.00012      9.98099      9.94047         0.001510      0.000558     -0.001267
      7.40703      1.42620      9.92774         0.003903     -0.002526     -0.000482
      6.17311      3.56411      9.93904         0.001093     -0.000631      0.000609
      4.94253      5.70206      9.95362         0.000257     -0.001292     -0.001109
      3.70686      7.84698      9.93152         0.003658     -0.003435     -0.002354
      2.47029      9.98106      9.91901         0.003395     -0.001396     -0.001212
      9.87604      1.42622      9.91082         0.002290     -0.001322      0.000104
      8.64156      3.56447      9.92774         0.004139     -0.002117     -0.000482
      7.40784      5.70267      9.93717         0.002031     -0.001458     -0.000853
      6.17415      7.84134      9.92946         0.002698     -0.002253     -0.000361
      4.93895      9.98086      9.90948         0.000406     -0.001549      0.000054
 -----------------------------------------------------------------------------------
    total drift:                               -0.001802      0.000289      0.015451


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.95: CPU time    1.95
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.35
    ORTHCH:  VPU time  183.36: CPU time   91.95
     LOOP+:  VPU time 4550.12: CPU time 2347.91


----------------------------------------- Iteration   39(   1)  ---------------------------------------


    POTLOK:  VPU time    9.24: CPU time    9.21
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1155.81: CPU time  600.23
 BZINTS: Fermi energy: -3.184597;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.00: CPU time   57.61
    MIXING:  VPU time    0.16: CPU time    0.17
    ------------------------------------------
      LOOP:  VPU time 1279.61: CPU time  667.58

 eigenvalue-minimisations  :  3072
 total energy-change (2. order) :-0.4717264E+03  ( 0.3073310E-08)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583396 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.12139E-05    rms(broyden)= 0.12139E-05
  rms(prec ) = 0.15440E-05
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34105.72044448
  -1/2 Hartree   DENC   =    -40996.19794346
  -V(xc)+E(xc)   XCENC  =       726.60482964
  PAW double counting   =      4094.27123119    -4132.61909255
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.94574050
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641759 eV

  energy without entropy =     -471.72641759  energy(sigma->0) =     -471.72641759


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   39(   2)  ---------------------------------------


    POTLOK:  VPU time    9.07: CPU time    9.06
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1163.84: CPU time  602.06
 BZINTS: Fermi energy: -3.184603;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1173.32: CPU time  611.50

 eigenvalue-minimisations  :  3024
 total energy-change (2. order) :-0.1073204E-08  ( 0.3069212E-08)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9583396 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34105.72044448
  -1/2 Hartree   DENC   =    -40996.19779659
  -V(xc)+E(xc)   XCENC  =       726.60482841
  PAW double counting   =      4094.27124522    -4132.61910672
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.94588599
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641759 eV

  energy without entropy =     -471.72641759  energy(sigma->0) =     -471.72641759


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2180       2 -39.5363       3 -39.5363       4 -58.3139       5 -58.3178
       6 -58.3203       7 -58.3149       8 -58.3152       9 -58.3152      10 -58.3217
      11 -58.3878      12 -58.3518      13 -58.3232      14 -58.3149      15 -58.3247
      16 -58.5428      17 -58.7298      18 -58.3518      19 -58.3203      20 -58.3200
      21 -58.3579      22 -58.5428      23 -58.3879      24 -58.3178      25 -58.3231
      26 -58.3200      27 -58.3247      28 -58.3217      29 -58.3177      30 -58.3216
      31 -58.3246      32 -58.3199      33 -58.3230      34 -58.3202      35 -58.3877
      36 -58.5427      37 -58.3578      38 -58.3199      39 -58.3148      40 -58.3517
      41 -58.7297      42 -58.5427      43 -58.3246      44 -58.3151      45 -58.3230
      46 -58.3517      47 -58.3878      48 -58.3216      49 -58.3138      50 -58.3151
      51 -58.3148      52 -58.3202      53 -58.3177
 
 
 
 E-fermi :  -3.1846     XC(G=0):  -2.3409     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4276      1.00000
      2     -21.6044      1.00000
      3     -21.4827      1.00000
      4     -21.4736      1.00000
      5     -21.4420      1.00000
      6     -21.4412      1.00000
      7     -21.4311      1.00000
      8     -19.7085      1.00000
      9     -19.6536      1.00000
     10     -19.6303      1.00000
     11     -19.6193      1.00000
     12     -19.6140      1.00000
     13     -19.6130      1.00000
     14     -18.7907      1.00000
     15     -18.7555      1.00000
     16     -18.7357      1.00000
     17     -18.7262      1.00000
     18     -18.7190      1.00000
     19     -18.7137      1.00000
     20     -16.6354      1.00000
     21     -16.6096      1.00000
     22     -16.5852      1.00000
     23     -16.5818      1.00000
     24     -16.5548      1.00000
     25     -16.5531      1.00000
     26     -15.6154      1.00000
     27     -15.6027      1.00000
     28     -15.5994      1.00000
     29     -15.5653      1.00000
     30     -15.5636      1.00000
     31     -15.5627      1.00000
     32     -14.2604      1.00000
     33     -14.2511      1.00000
     34     -14.2411      1.00000
     35     -14.2361      1.00000
     36     -14.2229      1.00000
     37     -14.2200      1.00000
     38     -11.9061      1.00000
     39     -11.8791      1.00000
     40     -11.8680      1.00000
     41     -11.8658      1.00000
     42     -11.8451      1.00000
     43     -11.8449      1.00000
     44     -11.7716      1.00000
     45     -11.7689      1.00000
     46     -11.7362      1.00000
     47     -11.7295      1.00000
     48     -11.7253      1.00000
     49     -11.7229      1.00000
     50     -10.6767      1.00000
     51     -10.3891      1.00000
     52     -10.3840      1.00000
     53     -10.3771      1.00000
     54     -10.3693      1.00000
     55     -10.3560      1.00000
     56     -10.3539      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4060      1.00000
     60      -9.3630      1.00000
     61      -9.3624      1.00000
     62      -9.3546      1.00000
     63      -9.1426      1.00000
     64      -9.1220      1.00000
     65      -9.1213      1.00000
     66      -9.0849      1.00000
     67      -9.0720      1.00000
     68      -9.0714      1.00000
     69      -9.0712      1.00000
     70      -9.0643      1.00000
     71      -9.0642      1.00000
     72      -9.0385      1.00000
     73      -9.0290      1.00000
     74      -9.0258      1.00000
     75      -8.1302      1.00000
     76      -7.7458      1.00000
     77      -7.4688      1.00000
     78      -7.4667      1.00000
     79      -7.4539      1.00000
     80      -7.4343      1.00000
     81      -7.4247      1.00000
     82      -7.4066      1.00000
     83      -7.3130      1.00000
     84      -7.2713      1.00000
     85      -7.2576      1.00000
     86      -7.2491      1.00000
     87      -7.1508      1.00000
     88      -7.0494      1.00000
     89      -6.4464      1.00000
     90      -6.4161      1.00000
     91      -6.4005      1.00000
     92      -6.3638      1.00000
     93      -6.3531      1.00000
     94      -6.3408      1.00000
     95      -5.9585      1.00000
     96      -5.9582      1.00000
     97      -4.8064      1.00000
     98      -4.5444      1.00000
     99      -4.4815      1.00000
    100      -4.4744      1.00000
    101      -4.3823      1.00000
    102      -4.3817      1.00000
    103      -4.2678      1.00000
    104      -4.1873      1.00000
    105      -3.7393      1.00000
    106      -3.4776      1.00000
    107      -1.8619      0.00000
    108      -1.6706      0.00000
    109      -1.6241      0.00000
    110      -1.5913      0.00000
    111      -1.5759      0.00000
    112      -1.5749      0.00000
    113      -0.4289      0.00000
    114       0.1458      0.00000
    115       0.1920      0.00000
    116       0.2556      0.00000
    117       0.2675      0.00000
    118       0.2714      0.00000
    119       0.4771      0.00000
    120       0.5480      0.00000
    121       1.2481      0.00000
    122       1.2900      0.00000
    123       1.5383      0.00000
    124       1.7714      0.00000
    125       1.7741      0.00000
    126       1.7746      0.00000
    127       1.8012      0.00000
    128       1.8298      0.00000
    129       1.9586      0.00000
    130       1.9691      0.00000
    131       1.9745      0.00000
    132       1.9893      0.00000
    133       1.9964      0.00000
    134       2.0790      0.00000
    135       2.2507      0.00000
    136       2.3473      0.00000
    137       2.6111      0.00000
    138       2.6127      0.00000
    139       2.6399      0.00000
    140       2.7160      0.00000
    141       2.9361      0.00000
    142       3.0494      0.00000
    143       3.0644      0.00000
    144       3.1015      0.00000
    145       3.1022      0.00000
    146       3.1082      0.00000
    147       3.1100      0.00000
    148       3.2795      0.00000
    149       3.4533      0.00000
    150       3.5096      0.00000
    151       3.8273      0.00000
    152       3.9613      0.00000
    153       3.9645      0.00000
    154       3.9674      0.00000
    155       3.9753      0.00000
    156       4.0005      0.00000
    157       4.1892      0.00000
    158       4.2626      0.00000
    159       4.2758      0.00000
    160       4.2840      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8318      1.00000
      3     -21.6395      1.00000
      4     -21.6117      1.00000
      5     -21.2759      1.00000
      6     -21.2365      1.00000
      7     -21.0581      1.00000
      8     -20.1688      1.00000
      9     -20.1306      1.00000
     10     -19.6096      1.00000
     11     -19.5986      1.00000
     12     -19.4182      1.00000
     13     -19.0906      1.00000
     14     -19.0609      1.00000
     15     -19.0498      1.00000
     16     -19.0424      1.00000
     17     -18.3615      1.00000
     18     -18.3531      1.00000
     19     -18.0198      1.00000
     20     -17.0698      1.00000
     21     -17.0311      1.00000
     22     -16.9445      1.00000
     23     -16.9407      1.00000
     24     -16.4685      1.00000
     25     -16.4638      1.00000
     26     -15.6149      1.00000
     27     -15.6081      1.00000
     28     -15.2533      1.00000
     29     -15.2442      1.00000
     30     -15.1854      1.00000
     31     -15.0986      1.00000
     32     -15.0717      1.00000
     33     -14.6992      1.00000
     34     -14.6972      1.00000
     35     -13.7271      1.00000
     36     -13.7245      1.00000
     37     -13.2362      1.00000
     38     -12.6146      1.00000
     39     -12.5844      1.00000
     40     -12.4549      1.00000
     41     -12.4513      1.00000
     42     -12.1097      1.00000
     43     -12.1051      1.00000
     44     -11.7179      1.00000
     45     -11.6870      1.00000
     46     -11.2355      1.00000
     47     -11.2262      1.00000
     48     -11.0182      1.00000
     49     -11.0102      1.00000
     50     -10.9272      1.00000
     51     -10.9058      1.00000
     52     -10.6317      1.00000
     53     -10.1554      1.00000
     54     -10.1513      1.00000
     55     -10.0921      1.00000
     56      -9.9990      1.00000
     57      -9.7033      1.00000
     58      -9.6953      1.00000
     59      -9.6565      1.00000
     60      -9.5922      1.00000
     61      -9.5771      1.00000
     62      -9.5591      1.00000
     63      -9.3074      1.00000
     64      -9.3036      1.00000
     65      -9.2746      1.00000
     66      -9.2370      1.00000
     67      -9.1373      1.00000
     68      -9.1154      1.00000
     69      -9.1117      1.00000
     70      -8.9402      1.00000
     71      -8.8725      1.00000
     72      -8.6046      1.00000
     73      -8.5911      1.00000
     74      -8.2368      1.00000
     75      -8.1006      1.00000
     76      -7.9135      1.00000
     77      -7.8641      1.00000
     78      -7.7719      1.00000
     79      -7.7570      1.00000
     80      -7.6923      1.00000
     81      -7.5607      1.00000
     82      -7.3390      1.00000
     83      -7.3229      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0125      1.00000
     88      -6.7047      1.00000
     89      -6.6784      1.00000
     90      -6.6413      1.00000
     91      -6.5979      1.00000
     92      -6.1159      1.00000
     93      -6.0624      1.00000
     94      -6.0313      1.00000
     95      -6.0116      1.00000
     96      -5.7835      1.00000
     97      -4.9745      1.00000
     98      -4.8322      1.00000
     99      -4.7471      1.00000
    100      -4.6795      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1720      1.00000
    104      -4.1280      1.00000
    105      -3.7296      1.00000
    106      -3.4878      1.00000
    107      -1.8704      0.00000
    108      -1.8089      0.00000
    109      -1.5244      0.00000
    110      -1.3776      0.00000
    111      -1.3214      0.00000
    112      -1.2880      0.00000
    113      -0.7199      0.00000
    114      -0.3760      0.00000
    115      -0.2499      0.00000
    116       0.0369      0.00000
    117       0.5559      0.00000
    118       0.6984      0.00000
    119       0.7464      0.00000
    120       1.0480      0.00000
    121       1.1000      0.00000
    122       1.1498      0.00000
    123       1.2274      0.00000
    124       1.3779      0.00000
    125       1.5241      0.00000
    126       1.5839      0.00000
    127       1.7156      0.00000
    128       1.8159      0.00000
    129       1.8581      0.00000
    130       1.8818      0.00000
    131       2.0969      0.00000
    132       2.1874      0.00000
    133       2.2419      0.00000
    134       2.3075      0.00000
    135       2.5148      0.00000
    136       2.5901      0.00000
    137       2.6442      0.00000
    138       2.7805      0.00000
    139       2.7984      0.00000
    140       2.8274      0.00000
    141       2.8625      0.00000
    142       2.9023      0.00000
    143       2.9448      0.00000
    144       3.0825      0.00000
    145       3.1549      0.00000
    146       3.3202      0.00000
    147       3.3867      0.00000
    148       3.4323      0.00000
    149       3.4707      0.00000
    150       3.6217      0.00000
    151       3.6484      0.00000
    152       3.6724      0.00000
    153       3.7167      0.00000
    154       3.9138      0.00000
    155       3.9628      0.00000
    156       4.0182      0.00000
    157       4.0690      0.00000
    158       4.2419      0.00000
    159       4.2541      0.00000
    160       4.2775      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2849      1.00000
      2     -22.0793      1.00000
      3     -21.7179      1.00000
      4     -21.6861      1.00000
      5     -20.9806      1.00000
      6     -20.9400      1.00000
      7     -20.6130      1.00000
      8     -20.5763      1.00000
      9     -20.5701      1.00000
     10     -20.0337      1.00000
     11     -19.5044      1.00000
     12     -19.4927      1.00000
     13     -19.3078      1.00000
     14     -19.3026      1.00000
     15     -18.4486      1.00000
     16     -18.4119      1.00000
     17     -17.9231      1.00000
     18     -17.9137      1.00000
     19     -17.7624      1.00000
     20     -17.7266      1.00000
     21     -17.4366      1.00000
     22     -17.4293      1.00000
     23     -17.3416      1.00000
     24     -16.4635      1.00000
     25     -16.4624      1.00000
     26     -15.9678      1.00000
     27     -15.4151      1.00000
     28     -15.4096      1.00000
     29     -15.0973      1.00000
     30     -15.0939      1.00000
     31     -14.8556      1.00000
     32     -14.8479      1.00000
     33     -14.2908      1.00000
     34     -14.2580      1.00000
     35     -13.4371      1.00000
     36     -13.4046      1.00000
     37     -13.1780      1.00000
     38     -13.1746      1.00000
     39     -12.9826      1.00000
     40     -12.9777      1.00000
     41     -12.6135      1.00000
     42     -12.6103      1.00000
     43     -12.1981      1.00000
     44     -11.5772      1.00000
     45     -11.5434      1.00000
     46     -11.3112      1.00000
     47     -11.2884      1.00000
     48     -11.1423      1.00000
     49     -10.6768      1.00000
     50     -10.6607      1.00000
     51     -10.5537      1.00000
     52     -10.3238      1.00000
     53     -10.3181      1.00000
     54     -10.1700      1.00000
     55     -10.1157      1.00000
     56     -10.1130      1.00000
     57      -9.7988      1.00000
     58      -9.7652      1.00000
     59      -9.7524      1.00000
     60      -9.7004      1.00000
     61      -9.6973      1.00000
     62      -9.6627      1.00000
     63      -9.3546      1.00000
     64      -9.3518      1.00000
     65      -9.3159      1.00000
     66      -9.0415      1.00000
     67      -8.9624      1.00000
     68      -8.9499      1.00000
     69      -8.8000      1.00000
     70      -8.5952      1.00000
     71      -8.5581      1.00000
     72      -8.3988      1.00000
     73      -8.3653      1.00000
     74      -8.3247      1.00000
     75      -8.3073      1.00000
     76      -8.2590      1.00000
     77      -8.2574      1.00000
     78      -8.2366      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3866      1.00000
     83      -7.3495      1.00000
     84      -7.2310      1.00000
     85      -7.0967      1.00000
     86      -7.0391      1.00000
     87      -6.9342      1.00000
     88      -6.8483      1.00000
     89      -6.6127      1.00000
     90      -6.5588      1.00000
     91      -6.2698      1.00000
     92      -6.0440      1.00000
     93      -5.9518      1.00000
     94      -5.6629      1.00000
     95      -5.6228      1.00000
     96      -5.4633      1.00000
     97      -5.3201      1.00000
     98      -5.2790      1.00000
     99      -5.2140      1.00000
    100      -5.1940      1.00000
    101      -4.5085      1.00000
    102      -4.2077      1.00000
    103      -4.0593      1.00000
    104      -3.9892      1.00000
    105      -3.6944      1.00000
    106      -3.4980      1.00000
    107      -1.9463      0.00000
    108      -1.8963      0.00000
    109      -1.3390      0.00000
    110      -1.0849      0.00000
    111      -1.0582      0.00000
    112      -0.8003      0.00000
    113      -0.6776      0.00000
    114      -0.6468      0.00000
    115      -0.6072      0.00000
    116      -0.1080      0.00000
    117       0.2155      0.00000
    118       0.3291      0.00000
    119       0.6942      0.00000
    120       0.8876      0.00000
    121       1.1273      0.00000
    122       1.1991      0.00000
    123       1.3265      0.00000
    124       1.4211      0.00000
    125       1.5544      0.00000
    126       1.5764      0.00000
    127       1.6802      0.00000
    128       1.8086      0.00000
    129       1.8847      0.00000
    130       2.0565      0.00000
    131       2.1259      0.00000
    132       2.3285      0.00000
    133       2.3601      0.00000
    134       2.3963      0.00000
    135       2.5474      0.00000
    136       2.6316      0.00000
    137       2.7301      0.00000
    138       2.7608      0.00000
    139       2.8304      0.00000
    140       2.8841      0.00000
    141       3.0493      0.00000
    142       3.0597      0.00000
    143       3.1649      0.00000
    144       3.2656      0.00000
    145       3.3616      0.00000
    146       3.4163      0.00000
    147       3.4347      0.00000
    148       3.5683      0.00000
    149       3.5860      0.00000
    150       3.6033      0.00000
    151       3.6607      0.00000
    152       3.6761      0.00000
    153       3.7823      0.00000
    154       3.8033      0.00000
    155       3.8109      0.00000
    156       3.8957      0.00000
    157       3.9229      0.00000
    158       3.9955      0.00000
    159       4.2160      0.00000
    160       4.2272      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.9642      1.00000
      3     -21.8950      1.00000
      4     -21.3822      1.00000
      5     -21.3530      1.00000
      6     -20.8409      1.00000
      7     -20.7756      1.00000
      8     -20.6253      1.00000
      9     -20.0788      1.00000
     10     -20.0731      1.00000
     11     -19.7179      1.00000
     12     -19.6934      1.00000
     13     -18.9975      1.00000
     14     -18.9916      1.00000
     15     -18.6416      1.00000
     16     -18.6257      1.00000
     17     -18.4630      1.00000
     18     -17.6761      1.00000
     19     -17.6257      1.00000
     20     -17.6228      1.00000
     21     -17.5810      1.00000
     22     -17.1273      1.00000
     23     -17.1058      1.00000
     24     -16.9627      1.00000
     25     -16.0023      1.00000
     26     -15.9305      1.00000
     27     -15.5865      1.00000
     28     -15.5862      1.00000
     29     -15.2876      1.00000
     30     -14.8648      1.00000
     31     -14.8375      1.00000
     32     -14.5795      1.00000
     33     -14.5376      1.00000
     34     -14.1694      1.00000
     35     -14.1558      1.00000
     36     -13.1485      1.00000
     37     -13.1013      1.00000
     38     -13.0302      1.00000
     39     -13.0200      1.00000
     40     -12.7095      1.00000
     41     -12.7054      1.00000
     42     -12.3423      1.00000
     43     -12.3110      1.00000
     44     -11.6365      1.00000
     45     -11.6229      1.00000
     46     -11.5727      1.00000
     47     -10.9501      1.00000
     48     -10.9170      1.00000
     49     -10.6329      1.00000
     50     -10.6248      1.00000
     51     -10.5479      1.00000
     52     -10.5002      1.00000
     53     -10.4999      1.00000
     54     -10.4399      1.00000
     55     -10.3607      1.00000
     56     -10.1001      1.00000
     57      -9.9042      1.00000
     58      -9.6088      1.00000
     59      -9.5565      1.00000
     60      -9.4530      1.00000
     61      -9.4126      1.00000
     62      -9.4057      1.00000
     63      -9.3776      1.00000
     64      -9.3772      1.00000
     65      -9.2880      1.00000
     66      -9.1691      1.00000
     67      -9.1435      1.00000
     68      -9.1152      1.00000
     69      -8.8652      1.00000
     70      -8.8576      1.00000
     71      -8.8157      1.00000
     72      -8.5975      1.00000
     73      -8.4805      1.00000
     74      -8.1991      1.00000
     75      -8.1637      1.00000
     76      -8.0093      1.00000
     77      -7.9640      1.00000
     78      -7.8507      1.00000
     79      -7.8406      1.00000
     80      -7.7044      1.00000
     81      -7.6971      1.00000
     82      -7.6224      1.00000
     83      -7.4491      1.00000
     84      -7.3009      1.00000
     85      -7.2533      1.00000
     86      -6.9065      1.00000
     87      -6.8928      1.00000
     88      -6.5890      1.00000
     89      -6.5515      1.00000
     90      -6.4063      1.00000
     91      -6.2537      1.00000
     92      -6.2330      1.00000
     93      -6.2056      1.00000
     94      -6.0232      1.00000
     95      -5.5502      1.00000
     96      -5.4891      1.00000
     97      -5.3505      1.00000
     98      -5.2198      1.00000
     99      -4.9795      1.00000
    100      -4.7327      1.00000
    101      -4.6781      1.00000
    102      -4.3875      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5464      1.00000
    106      -3.5100      1.00000
    107      -2.2563      0.00000
    108      -1.4566      0.00000
    109      -1.3713      0.00000
    110      -1.2418      0.00000
    111      -1.0979      0.00000
    112      -0.9450      0.00000
    113      -0.8637      0.00000
    114      -0.8033      0.00000
    115      -0.1393      0.00000
    116       0.1111      0.00000
    117       0.2407      0.00000
    118       0.3776      0.00000
    119       0.6517      0.00000
    120       0.8359      0.00000
    121       0.9366      0.00000
    122       1.0638      0.00000
    123       1.2335      0.00000
    124       1.4483      0.00000
    125       1.5513      0.00000
    126       1.7664      0.00000
    127       1.7937      0.00000
    128       1.8756      0.00000
    129       1.9702      0.00000
    130       2.0453      0.00000
    131       2.1768      0.00000
    132       2.1950      0.00000
    133       2.4111      0.00000
    134       2.4636      0.00000
    135       2.5319      0.00000
    136       2.6043      0.00000
    137       2.6383      0.00000
    138       2.6959      0.00000
    139       2.7813      0.00000
    140       2.8357      0.00000
    141       2.9501      0.00000
    142       3.0860      0.00000
    143       3.2026      0.00000
    144       3.2123      0.00000
    145       3.2605      0.00000
    146       3.3278      0.00000
    147       3.3356      0.00000
    148       3.4684      0.00000
    149       3.5005      0.00000
    150       3.6986      0.00000
    151       3.7115      0.00000
    152       3.7276      0.00000
    153       3.8582      0.00000
    154       3.9147      0.00000
    155       3.9493      0.00000
    156       3.9813      0.00000
    157       4.0178      0.00000
    158       4.0344      0.00000
    159       4.0518      0.00000
    160       4.0728      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2119      1.00000
      2     -22.1189      1.00000
      3     -21.9582      1.00000
      4     -21.4057      1.00000
      5     -21.0511      1.00000
      6     -21.0151      1.00000
      7     -20.5019      1.00000
      8     -20.4625      1.00000
      9     -20.2961      1.00000
     10     -20.2768      1.00000
     11     -19.9587      1.00000
     12     -19.8930      1.00000
     13     -18.8836      1.00000
     14     -18.8148      1.00000
     15     -18.3538      1.00000
     16     -18.3076      1.00000
     17     -18.1540      1.00000
     18     -18.1368      1.00000
     19     -17.8277      1.00000
     20     -17.7901      1.00000
     21     -17.2525      1.00000
     22     -17.2425      1.00000
     23     -17.1655      1.00000
     24     -17.1337      1.00000
     25     -16.1110      1.00000
     26     -15.8865      1.00000
     27     -15.8712      1.00000
     28     -15.8350      1.00000
     29     -15.2372      1.00000
     30     -14.5559      1.00000
     31     -14.5280      1.00000
     32     -14.2808      1.00000
     33     -13.9645      1.00000
     34     -13.9570      1.00000
     35     -13.8209      1.00000
     36     -13.8051      1.00000
     37     -13.6154      1.00000
     38     -13.5716      1.00000
     39     -13.3710      1.00000
     40     -12.6354      1.00000
     41     -12.1816      1.00000
     42     -12.1336      1.00000
     43     -12.0730      1.00000
     44     -12.0207      1.00000
     45     -11.6701      1.00000
     46     -11.6566      1.00000
     47     -11.1395      1.00000
     48     -11.1189      1.00000
     49     -10.7954      1.00000
     50     -10.7319      1.00000
     51     -10.5295      1.00000
     52     -10.2091      1.00000
     53     -10.2064      1.00000
     54     -10.1654      1.00000
     55     -10.0184      1.00000
     56     -10.0049      1.00000
     57      -9.9913      1.00000
     58      -9.8019      1.00000
     59      -9.7980      1.00000
     60      -9.7627      1.00000
     61      -9.7580      1.00000
     62      -9.4552      1.00000
     63      -9.4180      1.00000
     64      -9.0810      1.00000
     65      -9.0729      1.00000
     66      -9.0413      1.00000
     67      -8.9558      1.00000
     68      -8.8779      1.00000
     69      -8.7126      1.00000
     70      -8.7003      1.00000
     71      -8.5664      1.00000
     72      -8.5436      1.00000
     73      -8.4998      1.00000
     74      -8.4630      1.00000
     75      -8.4538      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0438      1.00000
     79      -7.9160      1.00000
     80      -7.8635      1.00000
     81      -7.6152      1.00000
     82      -7.5489      1.00000
     83      -7.4902      1.00000
     84      -7.2681      1.00000
     85      -6.9955      1.00000
     86      -6.9233      1.00000
     87      -6.8823      1.00000
     88      -6.5327      1.00000
     89      -6.4874      1.00000
     90      -6.4615      1.00000
     91      -6.4105      1.00000
     92      -5.9841      1.00000
     93      -5.8976      1.00000
     94      -5.7847      1.00000
     95      -5.7598      1.00000
     96      -5.4323      1.00000
     97      -5.3294      1.00000
     98      -5.2304      1.00000
     99      -5.2179      1.00000
    100      -5.1885      1.00000
    101      -4.6923      1.00000
    102      -4.4215      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5292      1.00000
    106      -3.2742      1.00000
    107      -2.5312      0.00000
    108      -1.4581      0.00000
    109      -1.2667      0.00000
    110      -1.2029      0.00000
    111      -1.1725      0.00000
    112      -0.7197      0.00000
    113      -0.5035      0.00000
    114      -0.4119      0.00000
    115      -0.3395      0.00000
    116      -0.1459      0.00000
    117      -0.0028      0.00000
    118       0.1939      0.00000
    119       0.5613      0.00000
    120       0.6125      0.00000
    121       0.7963      0.00000
    122       0.9070      0.00000
    123       1.1326      0.00000
    124       1.4940      0.00000
    125       1.6352      0.00000
    126       1.8546      0.00000
    127       1.9279      0.00000
    128       2.1063      0.00000
    129       2.1164      0.00000
    130       2.1549      0.00000
    131       2.1892      0.00000
    132       2.2799      0.00000
    133       2.3419      0.00000
    134       2.4696      0.00000
    135       2.5819      0.00000
    136       2.6589      0.00000
    137       2.8550      0.00000
    138       2.8717      0.00000
    139       2.8940      0.00000
    140       3.0223      0.00000
    141       3.0289      0.00000
    142       3.1408      0.00000
    143       3.1850      0.00000
    144       3.2362      0.00000
    145       3.2762      0.00000
    146       3.2847      0.00000
    147       3.3006      0.00000
    148       3.3470      0.00000
    149       3.4242      0.00000
    150       3.4458      0.00000
    151       3.5543      0.00000
    152       3.6246      0.00000
    153       3.7109      0.00000
    154       3.7344      0.00000
    155       3.7736      0.00000
    156       3.8949      0.00000
    157       3.9440      0.00000
    158       4.0074      0.00000
    159       4.1327      0.00000
    160       4.2255      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3187      1.00000
      2     -21.9657      1.00000
      3     -21.8935      1.00000
      4     -21.3859      1.00000
      5     -21.3495      1.00000
      6     -20.8407      1.00000
      7     -20.7743      1.00000
      8     -20.6262      1.00000
      9     -20.0907      1.00000
     10     -20.0619      1.00000
     11     -19.7195      1.00000
     12     -19.6907      1.00000
     13     -19.0108      1.00000
     14     -18.9797      1.00000
     15     -18.6507      1.00000
     16     -18.6180      1.00000
     17     -18.4616      1.00000
     18     -17.6613      1.00000
     19     -17.6476      1.00000
     20     -17.6114      1.00000
     21     -17.5789      1.00000
     22     -17.1380      1.00000
     23     -17.0981      1.00000
     24     -16.9664      1.00000
     25     -16.0087      1.00000
     26     -15.9239      1.00000
     27     -15.5998      1.00000
     28     -15.5763      1.00000
     29     -15.2804      1.00000
     30     -14.8775      1.00000
     31     -14.8304      1.00000
     32     -14.5753      1.00000
     33     -14.5375      1.00000
     34     -14.1644      1.00000
     35     -14.1604      1.00000
     36     -13.1627      1.00000
     37     -13.0969      1.00000
     38     -13.0238      1.00000
     39     -13.0190      1.00000
     40     -12.7185      1.00000
     41     -12.6952      1.00000
     42     -12.3414      1.00000
     43     -12.3142      1.00000
     44     -11.6319      1.00000
     45     -11.6227      1.00000
     46     -11.5707      1.00000
     47     -10.9412      1.00000
     48     -10.9234      1.00000
     49     -10.6695      1.00000
     50     -10.5902      1.00000
     51     -10.5736      1.00000
     52     -10.5011      1.00000
     53     -10.4897      1.00000
     54     -10.4394      1.00000
     55     -10.3568      1.00000
     56     -10.1045      1.00000
     57      -9.8985      1.00000
     58      -9.6092      1.00000
     59      -9.5520      1.00000
     60      -9.4548      1.00000
     61      -9.4181      1.00000
     62      -9.4099      1.00000
     63      -9.3799      1.00000
     64      -9.3728      1.00000
     65      -9.2681      1.00000
     66      -9.1653      1.00000
     67      -9.1413      1.00000
     68      -9.1159      1.00000
     69      -8.8663      1.00000
     70      -8.8603      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1933      1.00000
     75      -8.1707      1.00000
     76      -8.0762      1.00000
     77      -7.8580      1.00000
     78      -7.8372      1.00000
     79      -7.8242      1.00000
     80      -7.7106      1.00000
     81      -7.6962      1.00000
     82      -7.5978      1.00000
     83      -7.5301      1.00000
     84      -7.3507      1.00000
     85      -7.1680      1.00000
     86      -6.9052      1.00000
     87      -6.8959      1.00000
     88      -6.5928      1.00000
     89      -6.5516      1.00000
     90      -6.4062      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2010      1.00000
     94      -6.0042      1.00000
     95      -5.5320      1.00000
     96      -5.4654      1.00000
     97      -5.3143      1.00000
     98      -5.2097      1.00000
     99      -5.0470      1.00000
    100      -4.7236      1.00000
    101      -4.6717      1.00000
    102      -4.4239      1.00000
    103      -4.1948      1.00000
    104      -3.8428      1.00000
    105      -3.6345      1.00000
    106      -3.4163      1.00000
    107      -2.2925      0.00000
    108      -1.5094      0.00000
    109      -1.2700      0.00000
    110      -1.2623      0.00000
    111      -1.0343      0.00000
    112      -0.9778      0.00000
    113      -0.8681      0.00000
    114      -0.7998      0.00000
    115      -0.2617      0.00000
    116       0.2044      0.00000
    117       0.2395      0.00000
    118       0.3600      0.00000
    119       0.6909      0.00000
    120       0.8942      0.00000
    121       0.9239      0.00000
    122       1.0406      0.00000
    123       1.1670      0.00000
    124       1.5099      0.00000
    125       1.5602      0.00000
    126       1.7115      0.00000
    127       1.7789      0.00000
    128       1.8345      0.00000
    129       1.9645      0.00000
    130       1.9858      0.00000
    131       2.1858      0.00000
    132       2.2628      0.00000
    133       2.4161      0.00000
    134       2.4695      0.00000
    135       2.5300      0.00000
    136       2.6008      0.00000
    137       2.6188      0.00000
    138       2.6994      0.00000
    139       2.7610      0.00000
    140       2.8650      0.00000
    141       3.0365      0.00000
    142       3.0841      0.00000
    143       3.1910      0.00000
    144       3.2487      0.00000
    145       3.2624      0.00000
    146       3.3003      0.00000
    147       3.3602      0.00000
    148       3.4534      0.00000
    149       3.5213      0.00000
    150       3.6922      0.00000
    151       3.7173      0.00000
    152       3.7491      0.00000
    153       3.8316      0.00000
    154       3.8930      0.00000
    155       3.9352      0.00000
    156       3.9804      0.00000
    157       4.0100      0.00000
    158       4.0447      0.00000
    159       4.0498      0.00000
    160       4.0860      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8321      1.00000
      3     -21.6427      1.00000
      4     -21.6077      1.00000
      5     -21.2800      1.00000
      6     -21.2330      1.00000
      7     -21.0577      1.00000
      8     -20.1726      1.00000
      9     -20.1264      1.00000
     10     -19.6179      1.00000
     11     -19.5917      1.00000
     12     -19.4167      1.00000
     13     -19.0956      1.00000
     14     -19.0569      1.00000
     15     -19.0525      1.00000
     16     -19.0398      1.00000
     17     -18.3676      1.00000
     18     -18.3479      1.00000
     19     -18.0176      1.00000
     20     -17.0731      1.00000
     21     -17.0243      1.00000
     22     -16.9503      1.00000
     23     -16.9365      1.00000
     24     -16.4753      1.00000
     25     -16.4634      1.00000
     26     -15.6101      1.00000
     27     -15.6096      1.00000
     28     -15.2505      1.00000
     29     -15.2384      1.00000
     30     -15.1923      1.00000
     31     -15.1022      1.00000
     32     -15.0692      1.00000
     33     -14.6989      1.00000
     34     -14.6979      1.00000
     35     -13.7254      1.00000
     36     -13.7253      1.00000
     37     -13.2359      1.00000
     38     -12.6247      1.00000
     39     -12.5806      1.00000
     40     -12.4555      1.00000
     41     -12.4502      1.00000
     42     -12.1053      1.00000
     43     -12.1004      1.00000
     44     -11.7219      1.00000
     45     -11.6833      1.00000
     46     -11.2456      1.00000
     47     -11.2250      1.00000
     48     -11.0182      1.00000
     49     -11.0065      1.00000
     50     -10.9281      1.00000
     51     -10.8994      1.00000
     52     -10.6377      1.00000
     53     -10.1729      1.00000
     54     -10.1500      1.00000
     55     -10.0852      1.00000
     56      -9.9927      1.00000
     57      -9.6967      1.00000
     58      -9.6901      1.00000
     59      -9.6710      1.00000
     60      -9.5915      1.00000
     61      -9.5675      1.00000
     62      -9.5543      1.00000
     63      -9.3132      1.00000
     64      -9.3006      1.00000
     65      -9.2837      1.00000
     66      -9.2431      1.00000
     67      -9.1227      1.00000
     68      -9.1130      1.00000
     69      -9.1113      1.00000
     70      -8.9401      1.00000
     71      -8.8753      1.00000
     72      -8.6049      1.00000
     73      -8.5862      1.00000
     74      -8.2712      1.00000
     75      -8.1016      1.00000
     76      -7.8676      1.00000
     77      -7.8440      1.00000
     78      -7.7908      1.00000
     79      -7.7650      1.00000
     80      -7.7560      1.00000
     81      -7.4473      1.00000
     82      -7.3350      1.00000
     83      -7.3235      1.00000
     84      -7.2664      1.00000
     85      -7.1628      1.00000
     86      -7.0149      1.00000
     87      -6.9868      1.00000
     88      -6.7179      1.00000
     89      -6.6908      1.00000
     90      -6.6319      1.00000
     91      -6.5908      1.00000
     92      -6.1179      1.00000
     93      -6.0590      1.00000
     94      -6.0448      1.00000
     95      -6.0286      1.00000
     96      -5.7481      1.00000
     97      -4.9748      1.00000
     98      -4.8397      1.00000
     99      -4.7091      1.00000
    100      -4.6735      1.00000
    101      -4.4837      1.00000
    102      -4.3523      1.00000
    103      -4.1119      1.00000
    104      -4.0556      1.00000
    105      -3.7550      1.00000
    106      -3.4654      1.00000
    107      -1.9506      0.00000
    108      -1.7711      0.00000
    109      -1.4798      0.00000
    110      -1.3555      0.00000
    111      -1.3359      0.00000
    112      -1.2926      0.00000
    113      -0.6785      0.00000
    114      -0.4719      0.00000
    115      -0.2355      0.00000
    116       0.0516      0.00000
    117       0.5876      0.00000
    118       0.6924      0.00000
    119       0.7701      0.00000
    120       1.0228      0.00000
    121       1.0970      0.00000
    122       1.1767      0.00000
    123       1.2501      0.00000
    124       1.3349      0.00000
    125       1.4337      0.00000
    126       1.6004      0.00000
    127       1.7650      0.00000
    128       1.8428      0.00000
    129       1.8604      0.00000
    130       1.8876      0.00000
    131       2.0463      0.00000
    132       2.2178      0.00000
    133       2.2330      0.00000
    134       2.2869      0.00000
    135       2.4811      0.00000
    136       2.6205      0.00000
    137       2.6446      0.00000
    138       2.7535      0.00000
    139       2.7985      0.00000
    140       2.8363      0.00000
    141       2.8484      0.00000
    142       2.8742      0.00000
    143       2.9494      0.00000
    144       3.0864      0.00000
    145       3.3169      0.00000
    146       3.3564      0.00000
    147       3.4093      0.00000
    148       3.4219      0.00000
    149       3.4265      0.00000
    150       3.6061      0.00000
    151       3.6535      0.00000
    152       3.6795      0.00000
    153       3.7324      0.00000
    154       3.8970      0.00000
    155       3.9265      0.00000
    156       3.9583      0.00000
    157       4.1085      0.00000
    158       4.2080      0.00000
    159       4.2600      0.00000
    160       4.2852      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2110      1.00000
      2     -22.1203      1.00000
      3     -21.9579      1.00000
      4     -21.4058      1.00000
      5     -21.0472      1.00000
      6     -21.0189      1.00000
      7     -20.4971      1.00000
      8     -20.4672      1.00000
      9     -20.2873      1.00000
     10     -20.2853      1.00000
     11     -19.9576      1.00000
     12     -19.8945      1.00000
     13     -18.8842      1.00000
     14     -18.8166      1.00000
     15     -18.3386      1.00000
     16     -18.3195      1.00000
     17     -18.1499      1.00000
     18     -18.1424      1.00000
     19     -17.8166      1.00000
     20     -17.7986      1.00000
     21     -17.2587      1.00000
     22     -17.2391      1.00000
     23     -17.1608      1.00000
     24     -17.1360      1.00000
     25     -16.1175      1.00000
     26     -15.8812      1.00000
     27     -15.8701      1.00000
     28     -15.8409      1.00000
     29     -15.2314      1.00000
     30     -14.5513      1.00000
     31     -14.5330      1.00000
     32     -14.2761      1.00000
     33     -13.9756      1.00000
     34     -13.9519      1.00000
     35     -13.8253      1.00000
     36     -13.8030      1.00000
     37     -13.6044      1.00000
     38     -13.5792      1.00000
     39     -13.3712      1.00000
     40     -12.6396      1.00000
     41     -12.1691      1.00000
     42     -12.1428      1.00000
     43     -12.0685      1.00000
     44     -12.0217      1.00000
     45     -11.6655      1.00000
     46     -11.6608      1.00000
     47     -11.1369      1.00000
     48     -11.1258      1.00000
     49     -10.7906      1.00000
     50     -10.7344      1.00000
     51     -10.5361      1.00000
     52     -10.2090      1.00000
     53     -10.2028      1.00000
     54     -10.1711      1.00000
     55     -10.0233      1.00000
     56      -9.9948      1.00000
     57      -9.9907      1.00000
     58      -9.8056      1.00000
     59      -9.7965      1.00000
     60      -9.7649      1.00000
     61      -9.7570      1.00000
     62      -9.4545      1.00000
     63      -9.4179      1.00000
     64      -9.0852      1.00000
     65      -9.0463      1.00000
     66      -9.0260      1.00000
     67      -8.9698      1.00000
     68      -8.8982      1.00000
     69      -8.7086      1.00000
     70      -8.6994      1.00000
     71      -8.5600      1.00000
     72      -8.5493      1.00000
     73      -8.4782      1.00000
     74      -8.4599      1.00000
     75      -8.4571      1.00000
     76      -8.3087      1.00000
     77      -8.0955      1.00000
     78      -8.0896      1.00000
     79      -7.9269      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5369      1.00000
     83      -7.4438      1.00000
     84      -7.3142      1.00000
     85      -6.9942      1.00000
     86      -6.9195      1.00000
     87      -6.8825      1.00000
     88      -6.5277      1.00000
     89      -6.5150      1.00000
     90      -6.4809      1.00000
     91      -6.4208      1.00000
     92      -5.9273      1.00000
     93      -5.9054      1.00000
     94      -5.7890      1.00000
     95      -5.7751      1.00000
     96      -5.3695      1.00000
     97      -5.3633      1.00000
     98      -5.2205      1.00000
     99      -5.2155      1.00000
    100      -5.1989      1.00000
    101      -4.7204      1.00000
    102      -4.4424      1.00000
    103      -4.1909      1.00000
    104      -3.8204      1.00000
    105      -3.5655      1.00000
    106      -3.2215      1.00000
    107      -2.5626      0.00000
    108      -1.4632      0.00000
    109      -1.2673      0.00000
    110      -1.1852      0.00000
    111      -1.1837      0.00000
    112      -0.6447      0.00000
    113      -0.5514      0.00000
    114      -0.4147      0.00000
    115      -0.3474      0.00000
    116      -0.0776      0.00000
    117      -0.0633      0.00000
    118       0.1259      0.00000
    119       0.5931      0.00000
    120       0.6265      0.00000
    121       0.8552      0.00000
    122       0.9858      0.00000
    123       1.0034      0.00000
    124       1.4943      0.00000
    125       1.6841      0.00000
    126       1.7666      0.00000
    127       1.8621      0.00000
    128       2.1149      0.00000
    129       2.1498      0.00000
    130       2.1904      0.00000
    131       2.2103      0.00000
    132       2.2571      0.00000
    133       2.3560      0.00000
    134       2.4943      0.00000
    135       2.5131      0.00000
    136       2.6665      0.00000
    137       2.8526      0.00000
    138       2.8595      0.00000
    139       2.9547      0.00000
    140       3.0103      0.00000
    141       3.0430      0.00000
    142       3.1357      0.00000
    143       3.1975      0.00000
    144       3.2456      0.00000
    145       3.2552      0.00000
    146       3.2812      0.00000
    147       3.3035      0.00000
    148       3.3548      0.00000
    149       3.4209      0.00000
    150       3.5507      0.00000
    151       3.5663      0.00000
    152       3.6477      0.00000
    153       3.6648      0.00000
    154       3.7066      0.00000
    155       3.7317      0.00000
    156       3.8972      0.00000
    157       3.9640      0.00000
    158       4.0392      0.00000
    159       4.0772      0.00000
    160       4.1864      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2845      1.00000
      2     -22.0799      1.00000
      3     -21.7215      1.00000
      4     -21.6823      1.00000
      5     -20.9840      1.00000
      6     -20.9362      1.00000
      7     -20.6125      1.00000
      8     -20.5803      1.00000
      9     -20.5667      1.00000
     10     -20.0333      1.00000
     11     -19.5143      1.00000
     12     -19.4842      1.00000
     13     -19.3123      1.00000
     14     -19.2993      1.00000
     15     -18.4506      1.00000
     16     -18.4074      1.00000
     17     -17.9283      1.00000
     18     -17.9079      1.00000
     19     -17.7668      1.00000
     20     -17.7219      1.00000
     21     -17.4423      1.00000
     22     -17.4238      1.00000
     23     -17.3389      1.00000
     24     -16.4714      1.00000
     25     -16.4612      1.00000
     26     -15.9714      1.00000
     27     -15.4115      1.00000
     28     -15.4106      1.00000
     29     -15.0964      1.00000
     30     -15.0934      1.00000
     31     -14.8536      1.00000
     32     -14.8412      1.00000
     33     -14.2985      1.00000
     34     -14.2547      1.00000
     35     -13.4448      1.00000
     36     -13.4010      1.00000
     37     -13.1755      1.00000
     38     -13.1741      1.00000
     39     -12.9865      1.00000
     40     -12.9775      1.00000
     41     -12.6110      1.00000
     42     -12.6089      1.00000
     43     -12.1974      1.00000
     44     -11.5798      1.00000
     45     -11.5387      1.00000
     46     -11.3137      1.00000
     47     -11.2834      1.00000
     48     -11.1425      1.00000
     49     -10.6926      1.00000
     50     -10.6633      1.00000
     51     -10.5475      1.00000
     52     -10.3228      1.00000
     53     -10.3151      1.00000
     54     -10.1762      1.00000
     55     -10.1215      1.00000
     56     -10.1082      1.00000
     57      -9.8120      1.00000
     58      -9.7530      1.00000
     59      -9.7525      1.00000
     60      -9.7027      1.00000
     61      -9.6988      1.00000
     62      -9.6473      1.00000
     63      -9.3531      1.00000
     64      -9.3516      1.00000
     65      -9.3180      1.00000
     66      -9.0283      1.00000
     67      -8.9619      1.00000
     68      -8.9581      1.00000
     69      -8.7759      1.00000
     70      -8.5917      1.00000
     71      -8.5886      1.00000
     72      -8.4241      1.00000
     73      -8.3500      1.00000
     74      -8.3226      1.00000
     75      -8.3024      1.00000
     76      -8.2658      1.00000
     77      -8.2542      1.00000
     78      -8.2394      1.00000
     79      -7.9217      1.00000
     80      -7.7341      1.00000
     81      -7.3799      1.00000
     82      -7.3503      1.00000
     83      -7.3237      1.00000
     84      -7.2176      1.00000
     85      -7.1605      1.00000
     86      -7.0654      1.00000
     87      -6.9610      1.00000
     88      -6.9054      1.00000
     89      -6.6134      1.00000
     90      -6.5569      1.00000
     91      -6.2710      1.00000
     92      -5.9968      1.00000
     93      -5.9596      1.00000
     94      -5.6754      1.00000
     95      -5.6488      1.00000
     96      -5.3875      1.00000
     97      -5.3152      1.00000
     98      -5.2941      1.00000
     99      -5.2121      1.00000
    100      -5.2005      1.00000
    101      -4.5115      1.00000
    102      -4.3388      1.00000
    103      -3.9965      1.00000
    104      -3.8860      1.00000
    105      -3.7929      1.00000
    106      -3.4433      1.00000
    107      -2.0345      0.00000
    108      -1.8634      0.00000
    109      -1.2176      0.00000
    110      -1.1842      0.00000
    111      -1.0358      0.00000
    112      -0.7722      0.00000
    113      -0.6773      0.00000
    114      -0.6599      0.00000
    115      -0.6097      0.00000
    116      -0.1017      0.00000
    117       0.2226      0.00000
    118       0.2397      0.00000
    119       0.7697      0.00000
    120       0.9840      0.00000
    121       1.0739      0.00000
    122       1.2415      0.00000
    123       1.2511      0.00000
    124       1.3409      0.00000
    125       1.5786      0.00000
    126       1.5851      0.00000
    127       1.7027      0.00000
    128       1.7991      0.00000
    129       1.9467      0.00000
    130       1.9623      0.00000
    131       2.0876      0.00000
    132       2.2966      0.00000
    133       2.3427      0.00000
    134       2.4165      0.00000
    135       2.5445      0.00000
    136       2.6296      0.00000
    137       2.7695      0.00000
    138       2.8333      0.00000
    139       2.8437      0.00000
    140       2.8693      0.00000
    141       3.0501      0.00000
    142       3.1008      0.00000
    143       3.1531      0.00000
    144       3.2229      0.00000
    145       3.3752      0.00000
    146       3.4148      0.00000
    147       3.5059      0.00000
    148       3.5532      0.00000
    149       3.5908      0.00000
    150       3.6126      0.00000
    151       3.6497      0.00000
    152       3.7360      0.00000
    153       3.7455      0.00000
    154       3.7802      0.00000
    155       3.8202      0.00000
    156       3.8783      0.00000
    157       4.0225      0.00000
    158       4.0871      0.00000
    159       4.1700      0.00000
    160       4.2129      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4276      1.00000
      2     -21.6044      1.00000
      3     -21.4827      1.00000
      4     -21.4736      1.00000
      5     -21.4420      1.00000
      6     -21.4412      1.00000
      7     -21.4311      1.00000
      8     -19.7085      1.00000
      9     -19.6536      1.00000
     10     -19.6303      1.00000
     11     -19.6193      1.00000
     12     -19.6140      1.00000
     13     -19.6130      1.00000
     14     -18.7907      1.00000
     15     -18.7555      1.00000
     16     -18.7357      1.00000
     17     -18.7262      1.00000
     18     -18.7190      1.00000
     19     -18.7137      1.00000
     20     -16.6354      1.00000
     21     -16.6096      1.00000
     22     -16.5852      1.00000
     23     -16.5818      1.00000
     24     -16.5548      1.00000
     25     -16.5531      1.00000
     26     -15.6154      1.00000
     27     -15.6027      1.00000
     28     -15.5994      1.00000
     29     -15.5653      1.00000
     30     -15.5636      1.00000
     31     -15.5627      1.00000
     32     -14.2604      1.00000
     33     -14.2511      1.00000
     34     -14.2411      1.00000
     35     -14.2361      1.00000
     36     -14.2229      1.00000
     37     -14.2200      1.00000
     38     -11.9061      1.00000
     39     -11.8791      1.00000
     40     -11.8680      1.00000
     41     -11.8658      1.00000
     42     -11.8451      1.00000
     43     -11.8449      1.00000
     44     -11.7716      1.00000
     45     -11.7689      1.00000
     46     -11.7362      1.00000
     47     -11.7295      1.00000
     48     -11.7253      1.00000
     49     -11.7229      1.00000
     50     -10.6767      1.00000
     51     -10.3891      1.00000
     52     -10.3840      1.00000
     53     -10.3771      1.00000
     54     -10.3693      1.00000
     55     -10.3560      1.00000
     56     -10.3539      1.00000
     57      -9.9044      1.00000
     58      -9.4510      1.00000
     59      -9.4060      1.00000
     60      -9.3630      1.00000
     61      -9.3624      1.00000
     62      -9.3546      1.00000
     63      -9.1426      1.00000
     64      -9.1220      1.00000
     65      -9.1213      1.00000
     66      -9.0849      1.00000
     67      -9.0720      1.00000
     68      -9.0714      1.00000
     69      -9.0712      1.00000
     70      -9.0643      1.00000
     71      -9.0642      1.00000
     72      -9.0385      1.00000
     73      -9.0290      1.00000
     74      -9.0258      1.00000
     75      -8.1302      1.00000
     76      -7.7458      1.00000
     77      -7.4688      1.00000
     78      -7.4667      1.00000
     79      -7.4539      1.00000
     80      -7.4343      1.00000
     81      -7.4247      1.00000
     82      -7.4066      1.00000
     83      -7.3130      1.00000
     84      -7.2713      1.00000
     85      -7.2576      1.00000
     86      -7.2491      1.00000
     87      -7.1508      1.00000
     88      -7.0494      1.00000
     89      -6.4464      1.00000
     90      -6.4161      1.00000
     91      -6.4005      1.00000
     92      -6.3638      1.00000
     93      -6.3531      1.00000
     94      -6.3408      1.00000
     95      -5.9585      1.00000
     96      -5.9582      1.00000
     97      -4.8064      1.00000
     98      -4.5444      1.00000
     99      -4.4815      1.00000
    100      -4.4744      1.00000
    101      -4.3823      1.00000
    102      -4.3817      1.00000
    103      -4.2678      1.00000
    104      -4.1873      1.00000
    105      -3.7393      1.00000
    106      -3.4776      1.00000
    107      -1.8619      0.00000
    108      -1.6706      0.00000
    109      -1.6241      0.00000
    110      -1.5913      0.00000
    111      -1.5759      0.00000
    112      -1.5749      0.00000
    113      -0.4289      0.00000
    114       0.1458      0.00000
    115       0.1920      0.00000
    116       0.2556      0.00000
    117       0.2675      0.00000
    118       0.2714      0.00000
    119       0.4771      0.00000
    120       0.5480      0.00000
    121       1.2481      0.00000
    122       1.2900      0.00000
    123       1.5383      0.00000
    124       1.7714      0.00000
    125       1.7741      0.00000
    126       1.7746      0.00000
    127       1.8012      0.00000
    128       1.8298      0.00000
    129       1.9586      0.00000
    130       1.9691      0.00000
    131       1.9745      0.00000
    132       1.9893      0.00000
    133       1.9964      0.00000
    134       2.0790      0.00000
    135       2.2507      0.00000
    136       2.3473      0.00000
    137       2.6111      0.00000
    138       2.6127      0.00000
    139       2.6399      0.00000
    140       2.7160      0.00000
    141       2.9361      0.00000
    142       3.0494      0.00000
    143       3.0644      0.00000
    144       3.1015      0.00000
    145       3.1022      0.00000
    146       3.1082      0.00000
    147       3.1100      0.00000
    148       3.2795      0.00000
    149       3.4533      0.00000
    150       3.5096      0.00000
    151       3.8273      0.00000
    152       3.9613      0.00000
    153       3.9645      0.00000
    154       3.9674      0.00000
    155       3.9753      0.00000
    156       4.0005      0.00000
    157       4.1892      0.00000
    158       4.2626      0.00000
    159       4.2758      0.00000
    160       4.2840      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8318      1.00000
      3     -21.6395      1.00000
      4     -21.6117      1.00000
      5     -21.2759      1.00000
      6     -21.2365      1.00000
      7     -21.0581      1.00000
      8     -20.1688      1.00000
      9     -20.1306      1.00000
     10     -19.6096      1.00000
     11     -19.5986      1.00000
     12     -19.4182      1.00000
     13     -19.0906      1.00000
     14     -19.0609      1.00000
     15     -19.0498      1.00000
     16     -19.0424      1.00000
     17     -18.3615      1.00000
     18     -18.3531      1.00000
     19     -18.0198      1.00000
     20     -17.0698      1.00000
     21     -17.0311      1.00000
     22     -16.9445      1.00000
     23     -16.9407      1.00000
     24     -16.4685      1.00000
     25     -16.4638      1.00000
     26     -15.6149      1.00000
     27     -15.6081      1.00000
     28     -15.2533      1.00000
     29     -15.2442      1.00000
     30     -15.1854      1.00000
     31     -15.0986      1.00000
     32     -15.0717      1.00000
     33     -14.6992      1.00000
     34     -14.6972      1.00000
     35     -13.7271      1.00000
     36     -13.7245      1.00000
     37     -13.2362      1.00000
     38     -12.6146      1.00000
     39     -12.5844      1.00000
     40     -12.4549      1.00000
     41     -12.4513      1.00000
     42     -12.1097      1.00000
     43     -12.1051      1.00000
     44     -11.7179      1.00000
     45     -11.6870      1.00000
     46     -11.2355      1.00000
     47     -11.2262      1.00000
     48     -11.0182      1.00000
     49     -11.0102      1.00000
     50     -10.9272      1.00000
     51     -10.9058      1.00000
     52     -10.6317      1.00000
     53     -10.1554      1.00000
     54     -10.1513      1.00000
     55     -10.0921      1.00000
     56      -9.9990      1.00000
     57      -9.7033      1.00000
     58      -9.6953      1.00000
     59      -9.6565      1.00000
     60      -9.5922      1.00000
     61      -9.5771      1.00000
     62      -9.5591      1.00000
     63      -9.3074      1.00000
     64      -9.3036      1.00000
     65      -9.2746      1.00000
     66      -9.2370      1.00000
     67      -9.1373      1.00000
     68      -9.1154      1.00000
     69      -9.1117      1.00000
     70      -8.9402      1.00000
     71      -8.8725      1.00000
     72      -8.6046      1.00000
     73      -8.5911      1.00000
     74      -8.2368      1.00000
     75      -8.1006      1.00000
     76      -7.9135      1.00000
     77      -7.8641      1.00000
     78      -7.7719      1.00000
     79      -7.7570      1.00000
     80      -7.6923      1.00000
     81      -7.5607      1.00000
     82      -7.3390      1.00000
     83      -7.3229      1.00000
     84      -7.2047      1.00000
     85      -7.1236      1.00000
     86      -7.0323      1.00000
     87      -7.0125      1.00000
     88      -6.7047      1.00000
     89      -6.6784      1.00000
     90      -6.6413      1.00000
     91      -6.5979      1.00000
     92      -6.1159      1.00000
     93      -6.0624      1.00000
     94      -6.0313      1.00000
     95      -6.0116      1.00000
     96      -5.7835      1.00000
     97      -4.9745      1.00000
     98      -4.8322      1.00000
     99      -4.7471      1.00000
    100      -4.6795      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1720      1.00000
    104      -4.1280      1.00000
    105      -3.7296      1.00000
    106      -3.4878      1.00000
    107      -1.8704      0.00000
    108      -1.8089      0.00000
    109      -1.5244      0.00000
    110      -1.3776      0.00000
    111      -1.3214      0.00000
    112      -1.2880      0.00000
    113      -0.7199      0.00000
    114      -0.3760      0.00000
    115      -0.2499      0.00000
    116       0.0369      0.00000
    117       0.5559      0.00000
    118       0.6984      0.00000
    119       0.7464      0.00000
    120       1.0480      0.00000
    121       1.1000      0.00000
    122       1.1498      0.00000
    123       1.2274      0.00000
    124       1.3779      0.00000
    125       1.5241      0.00000
    126       1.5839      0.00000
    127       1.7156      0.00000
    128       1.8159      0.00000
    129       1.8581      0.00000
    130       1.8818      0.00000
    131       2.0969      0.00000
    132       2.1874      0.00000
    133       2.2419      0.00000
    134       2.3075      0.00000
    135       2.5148      0.00000
    136       2.5901      0.00000
    137       2.6442      0.00000
    138       2.7805      0.00000
    139       2.7984      0.00000
    140       2.8274      0.00000
    141       2.8625      0.00000
    142       2.9023      0.00000
    143       2.9448      0.00000
    144       3.0825      0.00000
    145       3.1549      0.00000
    146       3.3202      0.00000
    147       3.3867      0.00000
    148       3.4323      0.00000
    149       3.4707      0.00000
    150       3.6217      0.00000
    151       3.6484      0.00000
    152       3.6724      0.00000
    153       3.7167      0.00000
    154       3.9138      0.00000
    155       3.9628      0.00000
    156       4.0182      0.00000
    157       4.0690      0.00000
    158       4.2419      0.00000
    159       4.2541      0.00000
    160       4.2775      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2849      1.00000
      2     -22.0793      1.00000
      3     -21.7179      1.00000
      4     -21.6861      1.00000
      5     -20.9806      1.00000
      6     -20.9400      1.00000
      7     -20.6130      1.00000
      8     -20.5763      1.00000
      9     -20.5701      1.00000
     10     -20.0337      1.00000
     11     -19.5044      1.00000
     12     -19.4927      1.00000
     13     -19.3078      1.00000
     14     -19.3026      1.00000
     15     -18.4486      1.00000
     16     -18.4119      1.00000
     17     -17.9231      1.00000
     18     -17.9137      1.00000
     19     -17.7624      1.00000
     20     -17.7266      1.00000
     21     -17.4366      1.00000
     22     -17.4293      1.00000
     23     -17.3416      1.00000
     24     -16.4635      1.00000
     25     -16.4624      1.00000
     26     -15.9678      1.00000
     27     -15.4151      1.00000
     28     -15.4096      1.00000
     29     -15.0973      1.00000
     30     -15.0939      1.00000
     31     -14.8556      1.00000
     32     -14.8479      1.00000
     33     -14.2908      1.00000
     34     -14.2580      1.00000
     35     -13.4371      1.00000
     36     -13.4046      1.00000
     37     -13.1780      1.00000
     38     -13.1746      1.00000
     39     -12.9826      1.00000
     40     -12.9777      1.00000
     41     -12.6135      1.00000
     42     -12.6103      1.00000
     43     -12.1981      1.00000
     44     -11.5772      1.00000
     45     -11.5434      1.00000
     46     -11.3112      1.00000
     47     -11.2884      1.00000
     48     -11.1423      1.00000
     49     -10.6768      1.00000
     50     -10.6607      1.00000
     51     -10.5537      1.00000
     52     -10.3238      1.00000
     53     -10.3181      1.00000
     54     -10.1700      1.00000
     55     -10.1157      1.00000
     56     -10.1130      1.00000
     57      -9.7988      1.00000
     58      -9.7652      1.00000
     59      -9.7524      1.00000
     60      -9.7004      1.00000
     61      -9.6973      1.00000
     62      -9.6627      1.00000
     63      -9.3546      1.00000
     64      -9.3518      1.00000
     65      -9.3159      1.00000
     66      -9.0415      1.00000
     67      -8.9624      1.00000
     68      -8.9499      1.00000
     69      -8.8000      1.00000
     70      -8.5952      1.00000
     71      -8.5581      1.00000
     72      -8.3988      1.00000
     73      -8.3653      1.00000
     74      -8.3247      1.00000
     75      -8.3073      1.00000
     76      -8.2590      1.00000
     77      -8.2574      1.00000
     78      -8.2366      1.00000
     79      -7.9051      1.00000
     80      -7.6512      1.00000
     81      -7.5494      1.00000
     82      -7.3866      1.00000
     83      -7.3495      1.00000
     84      -7.2310      1.00000
     85      -7.0967      1.00000
     86      -7.0391      1.00000
     87      -6.9342      1.00000
     88      -6.8483      1.00000
     89      -6.6127      1.00000
     90      -6.5588      1.00000
     91      -6.2698      1.00000
     92      -6.0440      1.00000
     93      -5.9518      1.00000
     94      -5.6629      1.00000
     95      -5.6228      1.00000
     96      -5.4633      1.00000
     97      -5.3201      1.00000
     98      -5.2790      1.00000
     99      -5.2140      1.00000
    100      -5.1940      1.00000
    101      -4.5085      1.00000
    102      -4.2077      1.00000
    103      -4.0593      1.00000
    104      -3.9892      1.00000
    105      -3.6944      1.00000
    106      -3.4980      1.00000
    107      -1.9463      0.00000
    108      -1.8963      0.00000
    109      -1.3390      0.00000
    110      -1.0849      0.00000
    111      -1.0582      0.00000
    112      -0.8003      0.00000
    113      -0.6776      0.00000
    114      -0.6468      0.00000
    115      -0.6072      0.00000
    116      -0.1080      0.00000
    117       0.2155      0.00000
    118       0.3291      0.00000
    119       0.6942      0.00000
    120       0.8876      0.00000
    121       1.1273      0.00000
    122       1.1991      0.00000
    123       1.3265      0.00000
    124       1.4211      0.00000
    125       1.5544      0.00000
    126       1.5764      0.00000
    127       1.6802      0.00000
    128       1.8086      0.00000
    129       1.8847      0.00000
    130       2.0565      0.00000
    131       2.1259      0.00000
    132       2.3285      0.00000
    133       2.3601      0.00000
    134       2.3963      0.00000
    135       2.5474      0.00000
    136       2.6316      0.00000
    137       2.7301      0.00000
    138       2.7608      0.00000
    139       2.8304      0.00000
    140       2.8841      0.00000
    141       3.0493      0.00000
    142       3.0597      0.00000
    143       3.1649      0.00000
    144       3.2656      0.00000
    145       3.3616      0.00000
    146       3.4163      0.00000
    147       3.4347      0.00000
    148       3.5683      0.00000
    149       3.5860      0.00000
    150       3.6033      0.00000
    151       3.6607      0.00000
    152       3.6761      0.00000
    153       3.7823      0.00000
    154       3.8033      0.00000
    155       3.8109      0.00000
    156       3.8957      0.00000
    157       3.9229      0.00000
    158       3.9955      0.00000
    159       4.2160      0.00000
    160       4.2272      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3189      1.00000
      2     -21.9642      1.00000
      3     -21.8950      1.00000
      4     -21.3822      1.00000
      5     -21.3530      1.00000
      6     -20.8409      1.00000
      7     -20.7756      1.00000
      8     -20.6253      1.00000
      9     -20.0788      1.00000
     10     -20.0731      1.00000
     11     -19.7179      1.00000
     12     -19.6934      1.00000
     13     -18.9975      1.00000
     14     -18.9916      1.00000
     15     -18.6416      1.00000
     16     -18.6257      1.00000
     17     -18.4630      1.00000
     18     -17.6761      1.00000
     19     -17.6257      1.00000
     20     -17.6228      1.00000
     21     -17.5810      1.00000
     22     -17.1273      1.00000
     23     -17.1058      1.00000
     24     -16.9627      1.00000
     25     -16.0023      1.00000
     26     -15.9305      1.00000
     27     -15.5865      1.00000
     28     -15.5862      1.00000
     29     -15.2876      1.00000
     30     -14.8648      1.00000
     31     -14.8375      1.00000
     32     -14.5795      1.00000
     33     -14.5376      1.00000
     34     -14.1694      1.00000
     35     -14.1558      1.00000
     36     -13.1485      1.00000
     37     -13.1013      1.00000
     38     -13.0302      1.00000
     39     -13.0200      1.00000
     40     -12.7095      1.00000
     41     -12.7054      1.00000
     42     -12.3423      1.00000
     43     -12.3110      1.00000
     44     -11.6365      1.00000
     45     -11.6229      1.00000
     46     -11.5727      1.00000
     47     -10.9501      1.00000
     48     -10.9170      1.00000
     49     -10.6329      1.00000
     50     -10.6248      1.00000
     51     -10.5479      1.00000
     52     -10.5002      1.00000
     53     -10.4999      1.00000
     54     -10.4399      1.00000
     55     -10.3607      1.00000
     56     -10.1001      1.00000
     57      -9.9042      1.00000
     58      -9.6088      1.00000
     59      -9.5565      1.00000
     60      -9.4530      1.00000
     61      -9.4126      1.00000
     62      -9.4057      1.00000
     63      -9.3776      1.00000
     64      -9.3772      1.00000
     65      -9.2880      1.00000
     66      -9.1691      1.00000
     67      -9.1435      1.00000
     68      -9.1152      1.00000
     69      -8.8652      1.00000
     70      -8.8576      1.00000
     71      -8.8157      1.00000
     72      -8.5975      1.00000
     73      -8.4805      1.00000
     74      -8.1991      1.00000
     75      -8.1637      1.00000
     76      -8.0093      1.00000
     77      -7.9640      1.00000
     78      -7.8507      1.00000
     79      -7.8406      1.00000
     80      -7.7044      1.00000
     81      -7.6971      1.00000
     82      -7.6224      1.00000
     83      -7.4491      1.00000
     84      -7.3009      1.00000
     85      -7.2533      1.00000
     86      -6.9065      1.00000
     87      -6.8928      1.00000
     88      -6.5890      1.00000
     89      -6.5515      1.00000
     90      -6.4063      1.00000
     91      -6.2537      1.00000
     92      -6.2330      1.00000
     93      -6.2056      1.00000
     94      -6.0232      1.00000
     95      -5.5502      1.00000
     96      -5.4891      1.00000
     97      -5.3505      1.00000
     98      -5.2198      1.00000
     99      -4.9795      1.00000
    100      -4.7327      1.00000
    101      -4.6781      1.00000
    102      -4.3875      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5464      1.00000
    106      -3.5100      1.00000
    107      -2.2563      0.00000
    108      -1.4566      0.00000
    109      -1.3713      0.00000
    110      -1.2418      0.00000
    111      -1.0979      0.00000
    112      -0.9450      0.00000
    113      -0.8637      0.00000
    114      -0.8033      0.00000
    115      -0.1393      0.00000
    116       0.1111      0.00000
    117       0.2407      0.00000
    118       0.3776      0.00000
    119       0.6517      0.00000
    120       0.8359      0.00000
    121       0.9366      0.00000
    122       1.0638      0.00000
    123       1.2335      0.00000
    124       1.4483      0.00000
    125       1.5513      0.00000
    126       1.7664      0.00000
    127       1.7937      0.00000
    128       1.8756      0.00000
    129       1.9702      0.00000
    130       2.0453      0.00000
    131       2.1768      0.00000
    132       2.1950      0.00000
    133       2.4111      0.00000
    134       2.4636      0.00000
    135       2.5319      0.00000
    136       2.6043      0.00000
    137       2.6383      0.00000
    138       2.6959      0.00000
    139       2.7813      0.00000
    140       2.8357      0.00000
    141       2.9501      0.00000
    142       3.0860      0.00000
    143       3.2026      0.00000
    144       3.2123      0.00000
    145       3.2605      0.00000
    146       3.3278      0.00000
    147       3.3356      0.00000
    148       3.4684      0.00000
    149       3.5005      0.00000
    150       3.6986      0.00000
    151       3.7115      0.00000
    152       3.7276      0.00000
    153       3.8582      0.00000
    154       3.9147      0.00000
    155       3.9493      0.00000
    156       3.9813      0.00000
    157       4.0178      0.00000
    158       4.0344      0.00000
    159       4.0518      0.00000
    160       4.0728      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2119      1.00000
      2     -22.1189      1.00000
      3     -21.9582      1.00000
      4     -21.4057      1.00000
      5     -21.0511      1.00000
      6     -21.0151      1.00000
      7     -20.5019      1.00000
      8     -20.4625      1.00000
      9     -20.2961      1.00000
     10     -20.2768      1.00000
     11     -19.9587      1.00000
     12     -19.8930      1.00000
     13     -18.8836      1.00000
     14     -18.8148      1.00000
     15     -18.3538      1.00000
     16     -18.3076      1.00000
     17     -18.1540      1.00000
     18     -18.1368      1.00000
     19     -17.8277      1.00000
     20     -17.7901      1.00000
     21     -17.2525      1.00000
     22     -17.2425      1.00000
     23     -17.1655      1.00000
     24     -17.1337      1.00000
     25     -16.1110      1.00000
     26     -15.8865      1.00000
     27     -15.8712      1.00000
     28     -15.8350      1.00000
     29     -15.2372      1.00000
     30     -14.5559      1.00000
     31     -14.5280      1.00000
     32     -14.2808      1.00000
     33     -13.9645      1.00000
     34     -13.9570      1.00000
     35     -13.8209      1.00000
     36     -13.8051      1.00000
     37     -13.6154      1.00000
     38     -13.5716      1.00000
     39     -13.3710      1.00000
     40     -12.6354      1.00000
     41     -12.1816      1.00000
     42     -12.1336      1.00000
     43     -12.0730      1.00000
     44     -12.0207      1.00000
     45     -11.6701      1.00000
     46     -11.6566      1.00000
     47     -11.1395      1.00000
     48     -11.1189      1.00000
     49     -10.7954      1.00000
     50     -10.7319      1.00000
     51     -10.5295      1.00000
     52     -10.2091      1.00000
     53     -10.2064      1.00000
     54     -10.1654      1.00000
     55     -10.0184      1.00000
     56     -10.0049      1.00000
     57      -9.9913      1.00000
     58      -9.8019      1.00000
     59      -9.7980      1.00000
     60      -9.7627      1.00000
     61      -9.7580      1.00000
     62      -9.4552      1.00000
     63      -9.4180      1.00000
     64      -9.0810      1.00000
     65      -9.0729      1.00000
     66      -9.0413      1.00000
     67      -8.9558      1.00000
     68      -8.8779      1.00000
     69      -8.7126      1.00000
     70      -8.7003      1.00000
     71      -8.5664      1.00000
     72      -8.5436      1.00000
     73      -8.4998      1.00000
     74      -8.4630      1.00000
     75      -8.4538      1.00000
     76      -8.2608      1.00000
     77      -8.1259      1.00000
     78      -8.0438      1.00000
     79      -7.9160      1.00000
     80      -7.8635      1.00000
     81      -7.6152      1.00000
     82      -7.5489      1.00000
     83      -7.4902      1.00000
     84      -7.2681      1.00000
     85      -6.9955      1.00000
     86      -6.9233      1.00000
     87      -6.8823      1.00000
     88      -6.5327      1.00000
     89      -6.4874      1.00000
     90      -6.4615      1.00000
     91      -6.4105      1.00000
     92      -5.9841      1.00000
     93      -5.8976      1.00000
     94      -5.7847      1.00000
     95      -5.7598      1.00000
     96      -5.4323      1.00000
     97      -5.3294      1.00000
     98      -5.2304      1.00000
     99      -5.2179      1.00000
    100      -5.1885      1.00000
    101      -4.6923      1.00000
    102      -4.4215      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5292      1.00000
    106      -3.2742      1.00000
    107      -2.5312      0.00000
    108      -1.4581      0.00000
    109      -1.2667      0.00000
    110      -1.2029      0.00000
    111      -1.1725      0.00000
    112      -0.7197      0.00000
    113      -0.5035      0.00000
    114      -0.4119      0.00000
    115      -0.3395      0.00000
    116      -0.1459      0.00000
    117      -0.0028      0.00000
    118       0.1939      0.00000
    119       0.5613      0.00000
    120       0.6125      0.00000
    121       0.7963      0.00000
    122       0.9070      0.00000
    123       1.1326      0.00000
    124       1.4940      0.00000
    125       1.6352      0.00000
    126       1.8546      0.00000
    127       1.9279      0.00000
    128       2.1063      0.00000
    129       2.1164      0.00000
    130       2.1549      0.00000
    131       2.1892      0.00000
    132       2.2799      0.00000
    133       2.3419      0.00000
    134       2.4696      0.00000
    135       2.5819      0.00000
    136       2.6589      0.00000
    137       2.8550      0.00000
    138       2.8717      0.00000
    139       2.8940      0.00000
    140       3.0223      0.00000
    141       3.0289      0.00000
    142       3.1408      0.00000
    143       3.1850      0.00000
    144       3.2362      0.00000
    145       3.2762      0.00000
    146       3.2847      0.00000
    147       3.3006      0.00000
    148       3.3470      0.00000
    149       3.4242      0.00000
    150       3.4458      0.00000
    151       3.5543      0.00000
    152       3.6246      0.00000
    153       3.7109      0.00000
    154       3.7344      0.00000
    155       3.7736      0.00000
    156       3.8949      0.00000
    157       3.9440      0.00000
    158       4.0074      0.00000
    159       4.1327      0.00000
    160       4.2255      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3187      1.00000
      2     -21.9657      1.00000
      3     -21.8935      1.00000
      4     -21.3859      1.00000
      5     -21.3495      1.00000
      6     -20.8407      1.00000
      7     -20.7743      1.00000
      8     -20.6262      1.00000
      9     -20.0907      1.00000
     10     -20.0619      1.00000
     11     -19.7195      1.00000
     12     -19.6907      1.00000
     13     -19.0108      1.00000
     14     -18.9797      1.00000
     15     -18.6507      1.00000
     16     -18.6180      1.00000
     17     -18.4616      1.00000
     18     -17.6613      1.00000
     19     -17.6476      1.00000
     20     -17.6114      1.00000
     21     -17.5789      1.00000
     22     -17.1380      1.00000
     23     -17.0981      1.00000
     24     -16.9664      1.00000
     25     -16.0087      1.00000
     26     -15.9239      1.00000
     27     -15.5998      1.00000
     28     -15.5763      1.00000
     29     -15.2804      1.00000
     30     -14.8775      1.00000
     31     -14.8304      1.00000
     32     -14.5753      1.00000
     33     -14.5375      1.00000
     34     -14.1644      1.00000
     35     -14.1604      1.00000
     36     -13.1627      1.00000
     37     -13.0969      1.00000
     38     -13.0238      1.00000
     39     -13.0190      1.00000
     40     -12.7185      1.00000
     41     -12.6952      1.00000
     42     -12.3414      1.00000
     43     -12.3142      1.00000
     44     -11.6319      1.00000
     45     -11.6227      1.00000
     46     -11.5707      1.00000
     47     -10.9412      1.00000
     48     -10.9234      1.00000
     49     -10.6695      1.00000
     50     -10.5902      1.00000
     51     -10.5736      1.00000
     52     -10.5011      1.00000
     53     -10.4897      1.00000
     54     -10.4394      1.00000
     55     -10.3568      1.00000
     56     -10.1045      1.00000
     57      -9.8985      1.00000
     58      -9.6092      1.00000
     59      -9.5520      1.00000
     60      -9.4548      1.00000
     61      -9.4181      1.00000
     62      -9.4099      1.00000
     63      -9.3799      1.00000
     64      -9.3728      1.00000
     65      -9.2681      1.00000
     66      -9.1653      1.00000
     67      -9.1413      1.00000
     68      -9.1159      1.00000
     69      -8.8663      1.00000
     70      -8.8603      1.00000
     71      -8.8029      1.00000
     72      -8.5969      1.00000
     73      -8.5271      1.00000
     74      -8.1933      1.00000
     75      -8.1707      1.00000
     76      -8.0762      1.00000
     77      -7.8580      1.00000
     78      -7.8372      1.00000
     79      -7.8242      1.00000
     80      -7.7106      1.00000
     81      -7.6962      1.00000
     82      -7.5978      1.00000
     83      -7.5301      1.00000
     84      -7.3507      1.00000
     85      -7.1680      1.00000
     86      -6.9052      1.00000
     87      -6.8959      1.00000
     88      -6.5928      1.00000
     89      -6.5516      1.00000
     90      -6.4062      1.00000
     91      -6.3024      1.00000
     92      -6.2477      1.00000
     93      -6.2010      1.00000
     94      -6.0042      1.00000
     95      -5.5320      1.00000
     96      -5.4654      1.00000
     97      -5.3143      1.00000
     98      -5.2097      1.00000
     99      -5.0470      1.00000
    100      -4.7236      1.00000
    101      -4.6717      1.00000
    102      -4.4239      1.00000
    103      -4.1948      1.00000
    104      -3.8428      1.00000
    105      -3.6345      1.00000
    106      -3.4163      1.00000
    107      -2.2925      0.00000
    108      -1.5094      0.00000
    109      -1.2700      0.00000
    110      -1.2623      0.00000
    111      -1.0343      0.00000
    112      -0.9778      0.00000
    113      -0.8681      0.00000
    114      -0.7998      0.00000
    115      -0.2617      0.00000
    116       0.2044      0.00000
    117       0.2395      0.00000
    118       0.3600      0.00000
    119       0.6909      0.00000
    120       0.8942      0.00000
    121       0.9239      0.00000
    122       1.0406      0.00000
    123       1.1670      0.00000
    124       1.5099      0.00000
    125       1.5602      0.00000
    126       1.7115      0.00000
    127       1.7789      0.00000
    128       1.8345      0.00000
    129       1.9645      0.00000
    130       1.9858      0.00000
    131       2.1858      0.00000
    132       2.2628      0.00000
    133       2.4161      0.00000
    134       2.4695      0.00000
    135       2.5300      0.00000
    136       2.6008      0.00000
    137       2.6188      0.00000
    138       2.6994      0.00000
    139       2.7610      0.00000
    140       2.8650      0.00000
    141       3.0365      0.00000
    142       3.0841      0.00000
    143       3.1910      0.00000
    144       3.2487      0.00000
    145       3.2624      0.00000
    146       3.3003      0.00000
    147       3.3602      0.00000
    148       3.4534      0.00000
    149       3.5213      0.00000
    150       3.6922      0.00000
    151       3.7173      0.00000
    152       3.7491      0.00000
    153       3.8316      0.00000
    154       3.8930      0.00000
    155       3.9352      0.00000
    156       3.9804      0.00000
    157       4.0100      0.00000
    158       4.0447      0.00000
    159       4.0498      0.00000
    160       4.0860      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3909      1.00000
      2     -21.8321      1.00000
      3     -21.6427      1.00000
      4     -21.6077      1.00000
      5     -21.2800      1.00000
      6     -21.2330      1.00000
      7     -21.0577      1.00000
      8     -20.1726      1.00000
      9     -20.1264      1.00000
     10     -19.6179      1.00000
     11     -19.5917      1.00000
     12     -19.4167      1.00000
     13     -19.0956      1.00000
     14     -19.0569      1.00000
     15     -19.0525      1.00000
     16     -19.0398      1.00000
     17     -18.3676      1.00000
     18     -18.3479      1.00000
     19     -18.0176      1.00000
     20     -17.0731      1.00000
     21     -17.0243      1.00000
     22     -16.9503      1.00000
     23     -16.9365      1.00000
     24     -16.4753      1.00000
     25     -16.4634      1.00000
     26     -15.6101      1.00000
     27     -15.6096      1.00000
     28     -15.2505      1.00000
     29     -15.2384      1.00000
     30     -15.1923      1.00000
     31     -15.1022      1.00000
     32     -15.0692      1.00000
     33     -14.6989      1.00000
     34     -14.6979      1.00000
     35     -13.7254      1.00000
     36     -13.7253      1.00000
     37     -13.2359      1.00000
     38     -12.6247      1.00000
     39     -12.5806      1.00000
     40     -12.4555      1.00000
     41     -12.4502      1.00000
     42     -12.1053      1.00000
     43     -12.1004      1.00000
     44     -11.7219      1.00000
     45     -11.6833      1.00000
     46     -11.2456      1.00000
     47     -11.2250      1.00000
     48     -11.0182      1.00000
     49     -11.0065      1.00000
     50     -10.9281      1.00000
     51     -10.8994      1.00000
     52     -10.6377      1.00000
     53     -10.1729      1.00000
     54     -10.1500      1.00000
     55     -10.0852      1.00000
     56      -9.9927      1.00000
     57      -9.6967      1.00000
     58      -9.6901      1.00000
     59      -9.6710      1.00000
     60      -9.5915      1.00000
     61      -9.5675      1.00000
     62      -9.5543      1.00000
     63      -9.3132      1.00000
     64      -9.3006      1.00000
     65      -9.2837      1.00000
     66      -9.2431      1.00000
     67      -9.1227      1.00000
     68      -9.1130      1.00000
     69      -9.1113      1.00000
     70      -8.9401      1.00000
     71      -8.8753      1.00000
     72      -8.6049      1.00000
     73      -8.5862      1.00000
     74      -8.2712      1.00000
     75      -8.1016      1.00000
     76      -7.8676      1.00000
     77      -7.8440      1.00000
     78      -7.7908      1.00000
     79      -7.7650      1.00000
     80      -7.7560      1.00000
     81      -7.4473      1.00000
     82      -7.3350      1.00000
     83      -7.3235      1.00000
     84      -7.2664      1.00000
     85      -7.1628      1.00000
     86      -7.0149      1.00000
     87      -6.9868      1.00000
     88      -6.7179      1.00000
     89      -6.6908      1.00000
     90      -6.6319      1.00000
     91      -6.5908      1.00000
     92      -6.1179      1.00000
     93      -6.0590      1.00000
     94      -6.0448      1.00000
     95      -6.0286      1.00000
     96      -5.7481      1.00000
     97      -4.9748      1.00000
     98      -4.8397      1.00000
     99      -4.7091      1.00000
    100      -4.6735      1.00000
    101      -4.4837      1.00000
    102      -4.3523      1.00000
    103      -4.1119      1.00000
    104      -4.0556      1.00000
    105      -3.7550      1.00000
    106      -3.4654      1.00000
    107      -1.9506      0.00000
    108      -1.7711      0.00000
    109      -1.4798      0.00000
    110      -1.3555      0.00000
    111      -1.3359      0.00000
    112      -1.2926      0.00000
    113      -0.6785      0.00000
    114      -0.4719      0.00000
    115      -0.2355      0.00000
    116       0.0516      0.00000
    117       0.5876      0.00000
    118       0.6924      0.00000
    119       0.7701      0.00000
    120       1.0228      0.00000
    121       1.0970      0.00000
    122       1.1767      0.00000
    123       1.2501      0.00000
    124       1.3349      0.00000
    125       1.4337      0.00000
    126       1.6004      0.00000
    127       1.7650      0.00000
    128       1.8428      0.00000
    129       1.8604      0.00000
    130       1.8876      0.00000
    131       2.0463      0.00000
    132       2.2178      0.00000
    133       2.2330      0.00000
    134       2.2869      0.00000
    135       2.4811      0.00000
    136       2.6205      0.00000
    137       2.6446      0.00000
    138       2.7535      0.00000
    139       2.7985      0.00000
    140       2.8363      0.00000
    141       2.8484      0.00000
    142       2.8742      0.00000
    143       2.9494      0.00000
    144       3.0864      0.00000
    145       3.3169      0.00000
    146       3.3564      0.00000
    147       3.4093      0.00000
    148       3.4219      0.00000
    149       3.4265      0.00000
    150       3.6061      0.00000
    151       3.6535      0.00000
    152       3.6795      0.00000
    153       3.7324      0.00000
    154       3.8970      0.00000
    155       3.9265      0.00000
    156       3.9583      0.00000
    157       4.1085      0.00000
    158       4.2080      0.00000
    159       4.2600      0.00000
    160       4.2852      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2110      1.00000
      2     -22.1203      1.00000
      3     -21.9579      1.00000
      4     -21.4058      1.00000
      5     -21.0472      1.00000
      6     -21.0189      1.00000
      7     -20.4971      1.00000
      8     -20.4672      1.00000
      9     -20.2873      1.00000
     10     -20.2853      1.00000
     11     -19.9576      1.00000
     12     -19.8945      1.00000
     13     -18.8842      1.00000
     14     -18.8166      1.00000
     15     -18.3386      1.00000
     16     -18.3195      1.00000
     17     -18.1499      1.00000
     18     -18.1424      1.00000
     19     -17.8166      1.00000
     20     -17.7986      1.00000
     21     -17.2587      1.00000
     22     -17.2391      1.00000
     23     -17.1608      1.00000
     24     -17.1360      1.00000
     25     -16.1175      1.00000
     26     -15.8812      1.00000
     27     -15.8701      1.00000
     28     -15.8409      1.00000
     29     -15.2314      1.00000
     30     -14.5513      1.00000
     31     -14.5330      1.00000
     32     -14.2761      1.00000
     33     -13.9756      1.00000
     34     -13.9519      1.00000
     35     -13.8253      1.00000
     36     -13.8030      1.00000
     37     -13.6044      1.00000
     38     -13.5792      1.00000
     39     -13.3712      1.00000
     40     -12.6396      1.00000
     41     -12.1691      1.00000
     42     -12.1428      1.00000
     43     -12.0685      1.00000
     44     -12.0217      1.00000
     45     -11.6655      1.00000
     46     -11.6608      1.00000
     47     -11.1369      1.00000
     48     -11.1258      1.00000
     49     -10.7906      1.00000
     50     -10.7344      1.00000
     51     -10.5361      1.00000
     52     -10.2090      1.00000
     53     -10.2028      1.00000
     54     -10.1711      1.00000
     55     -10.0233      1.00000
     56      -9.9948      1.00000
     57      -9.9907      1.00000
     58      -9.8056      1.00000
     59      -9.7965      1.00000
     60      -9.7649      1.00000
     61      -9.7570      1.00000
     62      -9.4545      1.00000
     63      -9.4179      1.00000
     64      -9.0852      1.00000
     65      -9.0463      1.00000
     66      -9.0260      1.00000
     67      -8.9698      1.00000
     68      -8.8982      1.00000
     69      -8.7086      1.00000
     70      -8.6994      1.00000
     71      -8.5600      1.00000
     72      -8.5493      1.00000
     73      -8.4782      1.00000
     74      -8.4599      1.00000
     75      -8.4571      1.00000
     76      -8.3087      1.00000
     77      -8.0955      1.00000
     78      -8.0896      1.00000
     79      -7.9269      1.00000
     80      -7.8322      1.00000
     81      -7.6012      1.00000
     82      -7.5369      1.00000
     83      -7.4438      1.00000
     84      -7.3142      1.00000
     85      -6.9942      1.00000
     86      -6.9195      1.00000
     87      -6.8825      1.00000
     88      -6.5277      1.00000
     89      -6.5150      1.00000
     90      -6.4809      1.00000
     91      -6.4208      1.00000
     92      -5.9273      1.00000
     93      -5.9054      1.00000
     94      -5.7890      1.00000
     95      -5.7751      1.00000
     96      -5.3695      1.00000
     97      -5.3633      1.00000
     98      -5.2205      1.00000
     99      -5.2155      1.00000
    100      -5.1989      1.00000
    101      -4.7204      1.00000
    102      -4.4424      1.00000
    103      -4.1909      1.00000
    104      -3.8204      1.00000
    105      -3.5655      1.00000
    106      -3.2215      1.00000
    107      -2.5626      0.00000
    108      -1.4632      0.00000
    109      -1.2673      0.00000
    110      -1.1852      0.00000
    111      -1.1837      0.00000
    112      -0.6447      0.00000
    113      -0.5514      0.00000
    114      -0.4147      0.00000
    115      -0.3474      0.00000
    116      -0.0776      0.00000
    117      -0.0633      0.00000
    118       0.1259      0.00000
    119       0.5931      0.00000
    120       0.6265      0.00000
    121       0.8552      0.00000
    122       0.9858      0.00000
    123       1.0034      0.00000
    124       1.4943      0.00000
    125       1.6841      0.00000
    126       1.7666      0.00000
    127       1.8621      0.00000
    128       2.1149      0.00000
    129       2.1498      0.00000
    130       2.1904      0.00000
    131       2.2103      0.00000
    132       2.2571      0.00000
    133       2.3560      0.00000
    134       2.4943      0.00000
    135       2.5131      0.00000
    136       2.6665      0.00000
    137       2.8526      0.00000
    138       2.8595      0.00000
    139       2.9547      0.00000
    140       3.0103      0.00000
    141       3.0430      0.00000
    142       3.1357      0.00000
    143       3.1975      0.00000
    144       3.2456      0.00000
    145       3.2552      0.00000
    146       3.2812      0.00000
    147       3.3035      0.00000
    148       3.3548      0.00000
    149       3.4209      0.00000
    150       3.5507      0.00000
    151       3.5663      0.00000
    152       3.6477      0.00000
    153       3.6648      0.00000
    154       3.7066      0.00000
    155       3.7317      0.00000
    156       3.8972      0.00000
    157       3.9640      0.00000
    158       4.0392      0.00000
    159       4.0772      0.00000
    160       4.1864      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2845      1.00000
      2     -22.0799      1.00000
      3     -21.7215      1.00000
      4     -21.6823      1.00000
      5     -20.9840      1.00000
      6     -20.9362      1.00000
      7     -20.6125      1.00000
      8     -20.5803      1.00000
      9     -20.5667      1.00000
     10     -20.0333      1.00000
     11     -19.5143      1.00000
     12     -19.4842      1.00000
     13     -19.3123      1.00000
     14     -19.2993      1.00000
     15     -18.4506      1.00000
     16     -18.4074      1.00000
     17     -17.9283      1.00000
     18     -17.9079      1.00000
     19     -17.7668      1.00000
     20     -17.7219      1.00000
     21     -17.4423      1.00000
     22     -17.4238      1.00000
     23     -17.3389      1.00000
     24     -16.4714      1.00000
     25     -16.4612      1.00000
     26     -15.9714      1.00000
     27     -15.4115      1.00000
     28     -15.4106      1.00000
     29     -15.0964      1.00000
     30     -15.0934      1.00000
     31     -14.8536      1.00000
     32     -14.8412      1.00000
     33     -14.2985      1.00000
     34     -14.2547      1.00000
     35     -13.4448      1.00000
     36     -13.4010      1.00000
     37     -13.1755      1.00000
     38     -13.1741      1.00000
     39     -12.9865      1.00000
     40     -12.9775      1.00000
     41     -12.6110      1.00000
     42     -12.6089      1.00000
     43     -12.1974      1.00000
     44     -11.5798      1.00000
     45     -11.5387      1.00000
     46     -11.3137      1.00000
     47     -11.2834      1.00000
     48     -11.1425      1.00000
     49     -10.6926      1.00000
     50     -10.6633      1.00000
     51     -10.5475      1.00000
     52     -10.3228      1.00000
     53     -10.3151      1.00000
     54     -10.1762      1.00000
     55     -10.1215      1.00000
     56     -10.1082      1.00000
     57      -9.8120      1.00000
     58      -9.7530      1.00000
     59      -9.7525      1.00000
     60      -9.7027      1.00000
     61      -9.6988      1.00000
     62      -9.6473      1.00000
     63      -9.3531      1.00000
     64      -9.3516      1.00000
     65      -9.3180      1.00000
     66      -9.0283      1.00000
     67      -8.9619      1.00000
     68      -8.9581      1.00000
     69      -8.7759      1.00000
     70      -8.5917      1.00000
     71      -8.5886      1.00000
     72      -8.4241      1.00000
     73      -8.3500      1.00000
     74      -8.3226      1.00000
     75      -8.3024      1.00000
     76      -8.2658      1.00000
     77      -8.2542      1.00000
     78      -8.2394      1.00000
     79      -7.9217      1.00000
     80      -7.7341      1.00000
     81      -7.3799      1.00000
     82      -7.3503      1.00000
     83      -7.3237      1.00000
     84      -7.2176      1.00000
     85      -7.1605      1.00000
     86      -7.0654      1.00000
     87      -6.9610      1.00000
     88      -6.9054      1.00000
     89      -6.6134      1.00000
     90      -6.5569      1.00000
     91      -6.2710      1.00000
     92      -5.9968      1.00000
     93      -5.9596      1.00000
     94      -5.6754      1.00000
     95      -5.6488      1.00000
     96      -5.3875      1.00000
     97      -5.3152      1.00000
     98      -5.2941      1.00000
     99      -5.2121      1.00000
    100      -5.2005      1.00000
    101      -4.5115      1.00000
    102      -4.3388      1.00000
    103      -3.9965      1.00000
    104      -3.8860      1.00000
    105      -3.7929      1.00000
    106      -3.4433      1.00000
    107      -2.0345      0.00000
    108      -1.8634      0.00000
    109      -1.2176      0.00000
    110      -1.1842      0.00000
    111      -1.0358      0.00000
    112      -0.7722      0.00000
    113      -0.6773      0.00000
    114      -0.6599      0.00000
    115      -0.6097      0.00000
    116      -0.1017      0.00000
    117       0.2226      0.00000
    118       0.2397      0.00000
    119       0.7697      0.00000
    120       0.9840      0.00000
    121       1.0739      0.00000
    122       1.2415      0.00000
    123       1.2511      0.00000
    124       1.3409      0.00000
    125       1.5786      0.00000
    126       1.5851      0.00000
    127       1.7027      0.00000
    128       1.7991      0.00000
    129       1.9467      0.00000
    130       1.9623      0.00000
    131       2.0876      0.00000
    132       2.2966      0.00000
    133       2.3427      0.00000
    134       2.4165      0.00000
    135       2.5445      0.00000
    136       2.6296      0.00000
    137       2.7695      0.00000
    138       2.8333      0.00000
    139       2.8437      0.00000
    140       2.8693      0.00000
    141       3.0501      0.00000
    142       3.1008      0.00000
    143       3.1531      0.00000
    144       3.2229      0.00000
    145       3.3752      0.00000
    146       3.4148      0.00000
    147       3.5059      0.00000
    148       3.5532      0.00000
    149       3.5908      0.00000
    150       3.6126      0.00000
    151       3.6497      0.00000
    152       3.7360      0.00000
    153       3.7455      0.00000
    154       3.7802      0.00000
    155       3.8202      0.00000
    156       3.8783      0.00000
    157       4.0225      0.00000
    158       4.0871      0.00000
    159       4.1700      0.00000
    160       4.2129      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0417   -7.3901    4.1982   -1.2758   -0.2386   17.5938    0.1473   -0.5324    0.6338   -0.4648
x    -3.0926   -0.0374   -0.0631    0.0616   -0.0091   -2.9773   -0.0109   -0.0070    0.0049    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0417    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0940   -0.0087    0.0374    0.0377
y    -0.0458   -3.2478   -0.5380   -0.1636   -1.1810   -0.6054
z   204.0417    1.1260   -0.2804    0.0408    0.0090    0.0616    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0777    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1654
z    -0.2831    0.1873   -0.0390    0.0470   -0.1050    0.0013
 total charge-density along one line
x   212.0000  -10.2204    6.1463   -2.0858   -0.4744   19.5111   -0.9959    0.4742   -0.0449   -0.1261
x    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2204    6.1463   -2.0858   -0.4744   19.5112   -0.9959    0.4742   -0.0449   -0.1261
y    -2.6457   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0055    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4925  189.2922 -170.3678  153.6507 -139.4373  125.4334 -110.1198   93.9731  -78.3592
z    64.1499  -51.4976   40.4325  -31.2272   24.1310  -18.9484   15.0349  -11.7219    8.7173   -6.1226
z     4.1323   -2.7605    1.8231   -1.1123    0.5408   -0.1279   -0.1105    0.2273   -0.3090    0.4000
z    -0.4767    0.4932   -0.4398    0.3547   -0.2860    0.2512   -0.2335    0.2088   -0.1709    0.1317
z    -0.1037    0.0880   -0.0768    0.0637   -0.0490    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0074    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.030   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.585  -0.238   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.368  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.263   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.261   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.784   0.000   2.648
  5        0.864   1.784   0.000   2.648
  6        0.864   1.783   0.000   2.646
  7        0.864   1.784   0.000   2.648
  8        0.864   1.783   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.649
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.648
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.781   0.000   2.640
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.782   0.000   2.646
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.646
 27        0.864   1.783   0.000   2.647
 28        0.864   1.785   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.785   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.646
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.646
 36        0.864   1.771   0.000   2.635
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.648
 40        0.863   1.786   0.000   2.649
 41        0.860   1.781   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.649
 49        0.864   1.784   0.000   2.648
 50        0.864   1.783   0.000   2.646
 51        0.864   1.784   0.000   2.648
 52        0.864   1.783   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.870  89.435   8.029 142.334
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  111.29: CPU time   56.10
    FORLOC:  VPU time    1.10: CPU time    1.10
    FORNL :  VPU time  440.39: CPU time  220.56
    STRESS:  VPU time 1322.23: CPU time  666.37
    FORCOR:  VPU time    8.68: CPU time    8.68
    FORHAR:  VPU time    2.29: CPU time    2.29
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force =-0.1302153E-09[-0.130E-09,-0.130E-09]  d Energy = 0.1564331E-08-0.169E-08
 d Force =-0.7795814E-05[-0.780E-05,-0.780E-05]  d Ewald  = 0.6923420E-04-0.770E-04


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726418 eV

  energy  without entropy=     -471.726418  energy(sigma->0) =     -471.726418
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40850.02  40804.52 -47548.84    -39.40      0.00      0.00
  Hartree  40274.04  40254.95 -39532.79    -16.53      0.00      0.00
  E(xc)     -779.46   -779.75   -807.39     -0.25      0.00      0.00
  Local   -83408.04 -83352.48  84396.36     48.11      0.00      0.00
  n-local   -216.85   -215.73   -203.41      0.70      0.00      0.00
  augment     20.05     22.04     17.81      1.73      0.00      0.00
  Kinetic   3162.58   3176.29   3584.10      3.52      0.00      0.00
  -------------------------------------------------------------------------------------
  Total        0.00      0.05     -0.22      0.04      0.00      0.00
  in kB        0.00      0.03     -0.13      0.02      0.00      0.00
  external pressure =       -0.03 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345139604  0.000690039  0.000000000     0.081000926  0.046759937  0.000000000
    -6.171978852 10.691545608  0.000000000    -0.000005228  0.093528828  0.000000000
     0.000000000  0.000000000 19.986394514     0.000000000  0.000000000  0.050034037

  length of vectors
    12.345139623 12.345139547 19.986394514     0.093528828  0.093528828  0.050034037


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.477E-05 -.490E-04 -.951E+03   0.448E-05 -.278E-04 0.960E+03   -.842E-21 0.339E-20 -.869E+01   -.369E-10 0.267E-10 -.198E-04
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   -.306E-05 0.102E-05 0.127E-05
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   0.306E-05 -.102E-05 0.127E-05
   -.206E+01 0.119E+01 0.163E+02   0.206E+01 -.119E+01 -.162E+02   -.327E-02 0.189E-02 -.242E-01   0.791E-06 -.343E-05 0.217E-05
   0.616E+01 0.684E+01 0.194E+02   -.616E+01 -.686E+01 -.193E+02   0.844E-03 0.215E-01 -.272E-01   -.257E-05 -.750E-06 0.216E-05
   0.112E+02 0.510E+01 0.162E+02   -.112E+02 -.510E+01 -.161E+02   0.202E-01 0.844E-02 -.479E-01   -.453E-05 0.145E-05 0.507E-05
   0.471E+01 -.883E+00 0.126E+02   -.473E+01 0.892E+00 -.126E+02   0.146E-01 -.735E-02 -.175E-01   -.199E-05 -.228E-05 0.783E-05
   -.308E+01 -.252E+01 0.126E+02   0.308E+01 0.252E+01 -.126E+02   -.140E-02 0.273E-02 -.130E-01   0.121E-05 -.520E-05 0.461E-05
   0.645E+00 0.393E+01 0.126E+02   -.646E+00 -.393E+01 -.126E+02   -.307E-02 -.155E-03 -.130E-01   -.428E-06 -.464E-05 0.133E-05
   0.242E+01 0.189E+02 0.240E+02   -.242E+01 -.190E+02 -.240E+02   -.233E-02 0.103E+00 -.486E-01   -.113E-05 -.484E-05 0.427E-07
   0.226E+02 0.214E+02 0.423E+02   -.227E+02 -.216E+02 -.422E+02   0.771E-01 0.262E+00 -.607E-01   -.689E-05 -.308E-05 -.602E-06
   0.268E+02 -.343E+01 0.256E+02   -.271E+02 0.355E+01 -.256E+02   0.269E+00 -.109E+00 -.338E-01   -.883E-05 -.166E-05 0.319E-05
   0.914E+01 -.527E+01 0.136E+02   -.918E+01 0.530E+01 -.136E+02   0.422E-01 -.244E-01 -.121E-01   -.389E-05 -.417E-05 0.312E-05
   0.312E+01 -.364E+01 0.126E+02   -.314E+01 0.365E+01 -.126E+02   0.137E-01 -.899E-02 -.175E-01   -.126E-05 -.142E-05 0.261E-06
   -.593E+01 0.136E+02 0.161E+02   0.593E+01 -.137E+02 -.161E+02   -.114E-02 0.715E-01 -.520E-01   0.226E-05 -.310E-05 -.365E-06
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.315E-01 0.613E+00 0.294E+00   0.309E-05 -.561E-05 -.492E-05
   0.236E+02 -.136E+02 0.940E+02   -.243E+02 0.140E+02 -.961E+02   0.636E+00 -.367E+00 0.205E+01   -.491E-05 0.164E-06 -.857E-05
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.229E+00 -.178E+00 -.338E-01   -.525E-05 0.731E-06 -.118E-05
   0.119E+01 -.122E+02 0.162E+02   -.119E+01 0.123E+02 -.161E+02   0.280E-02 -.217E-01 -.479E-01   -.307E-06 0.207E-05 0.118E-06
   -.414E+01 0.192E+01 0.116E+02   0.414E+01 -.193E+01 -.116E+02   -.268E-03 0.997E-02 -.439E-01   0.195E-05 0.129E-05 0.132E-05
   -.193E+02 0.111E+02 0.217E+02   0.193E+02 -.112E+02 -.217E+02   -.506E-01 0.292E-01 -.433E-01   0.686E-05 -.202E-06 0.188E-05
   -.373E+02 -.785E+01 0.478E+02   0.378E+02 0.813E+01 -.481E+02   -.546E+00 -.279E+00 0.294E+00   0.972E-05 -.594E-06 -.211E-05
   -.718E+01 -.303E+02 0.423E+02   0.736E+01 0.305E+02 -.422E+02   -.188E+00 -.198E+00 -.607E-01   0.248E-05 0.297E-05 -.230E-05
   -.285E+01 -.876E+01 0.194E+02   0.286E+01 0.877E+01 -.193E+02   -.182E-01 -.115E-01 -.272E-01   0.120E-05 0.686E-06 0.149E-05
   0.139E+01 -.801E+00 0.134E+02   -.139E+01 0.803E+00 -.134E+02   0.124E-03 -.715E-04 -.179E-01   -.469E-06 0.241E-05 0.257E-05
   -.374E+01 0.263E+01 0.116E+02   0.374E+01 -.262E+01 -.116E+02   -.877E-02 -.475E-02 -.439E-01   0.172E-05 0.247E-05 0.561E-05
   -.148E+02 -.169E+01 0.161E+02   0.148E+02 0.172E+01 -.161E+02   -.625E-01 -.347E-01 -.520E-01   0.568E-05 -.193E-05 0.655E-05
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.905E-01 -.495E-01 -.486E-01   0.547E-05 -.191E-05 0.265E-05
   0.285E+01 0.876E+01 0.194E+02   -.286E+01 -.877E+01 -.193E+02   0.182E-01 0.115E-01 -.272E-01   -.120E-05 -.686E-06 0.149E-05
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.905E-01 0.495E-01 -.486E-01   -.547E-05 0.191E-05 0.265E-05
   0.148E+02 0.169E+01 0.161E+02   -.148E+02 -.172E+01 -.161E+02   0.625E-01 0.347E-01 -.520E-01   -.568E-05 0.193E-05 0.655E-05
   0.374E+01 -.262E+01 0.116E+02   -.374E+01 0.262E+01 -.116E+02   0.877E-02 0.475E-02 -.439E-01   -.172E-05 -.247E-05 0.561E-05
   -.139E+01 0.801E+00 0.134E+02   0.139E+01 -.803E+00 -.134E+02   -.124E-03 0.715E-04 -.179E-01   0.469E-06 -.241E-05 0.257E-05
   -.119E+01 0.122E+02 0.162E+02   0.119E+01 -.123E+02 -.161E+02   -.280E-02 0.217E-01 -.479E-01   0.307E-06 -.207E-05 0.118E-06
   0.718E+01 0.303E+02 0.423E+02   -.736E+01 -.305E+02 -.422E+02   0.188E+00 0.198E+00 -.607E-01   -.248E-05 -.297E-05 -.230E-05
   0.373E+02 0.785E+01 0.478E+02   -.378E+02 -.813E+01 -.481E+02   0.546E+00 0.279E+00 0.294E+00   -.972E-05 0.594E-06 -.211E-05
   0.193E+02 -.111E+02 0.217E+02   -.193E+02 0.112E+02 -.217E+02   0.506E-01 -.292E-01 -.433E-01   -.686E-05 0.202E-06 0.188E-05
   0.414E+01 -.192E+01 0.116E+02   -.414E+01 0.193E+01 -.116E+02   0.268E-03 -.997E-02 -.439E-01   -.195E-05 -.129E-05 0.132E-05
   -.312E+01 0.364E+01 0.126E+02   0.314E+01 -.365E+01 -.126E+02   -.137E-01 0.899E-02 -.175E-01   0.126E-05 0.142E-05 0.261E-06
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.229E+00 0.178E+00 -.338E-01   0.525E-05 -.731E-06 -.118E-05
   -.236E+02 0.136E+02 0.940E+02   0.243E+02 -.140E+02 -.961E+02   -.636E+00 0.367E+00 0.205E+01   0.491E-05 -.164E-06 -.857E-05
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.315E-01 -.613E+00 0.294E+00   -.309E-05 0.561E-05 -.492E-05
   0.593E+01 -.136E+02 0.161E+02   -.593E+01 0.137E+02 -.161E+02   0.114E-02 -.715E-01 -.520E-01   -.226E-05 0.310E-05 -.365E-06
   -.645E+00 -.393E+01 0.126E+02   0.646E+00 0.393E+01 -.126E+02   0.307E-02 0.155E-03 -.130E-01   0.428E-06 0.464E-05 0.133E-05
   -.914E+01 0.527E+01 0.136E+02   0.918E+01 -.530E+01 -.136E+02   -.422E-01 0.244E-01 -.121E-01   0.389E-05 0.417E-05 0.312E-05
   -.268E+02 0.343E+01 0.256E+02   0.271E+02 -.355E+01 -.256E+02   -.269E+00 0.109E+00 -.338E-01   0.883E-05 0.166E-05 0.319E-05
   -.226E+02 -.214E+02 0.423E+02   0.227E+02 0.216E+02 -.422E+02   -.771E-01 -.262E+00 -.607E-01   0.689E-05 0.308E-05 -.602E-06
   -.242E+01 -.189E+02 0.240E+02   0.242E+01 0.190E+02 -.240E+02   0.233E-02 -.103E+00 -.486E-01   0.113E-05 0.484E-05 0.427E-07
   0.206E+01 -.119E+01 0.163E+02   -.206E+01 0.119E+01 -.162E+02   0.327E-02 -.189E-02 -.242E-01   -.791E-06 0.343E-05 0.217E-05
   0.308E+01 0.252E+01 0.126E+02   -.308E+01 -.252E+01 -.126E+02   0.140E-02 -.273E-02 -.130E-01   -.121E-05 0.520E-05 0.461E-05
   -.471E+01 0.883E+00 0.126E+02   0.473E+01 -.892E+00 -.126E+02   -.146E-01 0.735E-02 -.175E-01   0.199E-05 0.228E-05 0.783E-05
   -.112E+02 -.510E+01 0.162E+02   0.112E+02 0.510E+01 -.161E+02   -.202E-01 -.844E-02 -.479E-01   0.453E-05 -.145E-05 0.507E-05
   -.616E+01 -.684E+01 0.194E+02   0.616E+01 0.686E+01 -.193E+02   -.844E-03 -.215E-01 -.272E-01   0.257E-05 0.750E-06 0.216E-05
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.289E-03 0.101E+02   0.256E-12 -.639E-13 0.600E-12   -.178E-15 0.347E-17 -.100E+02   -.145E-10 0.260E-10 0.465E-04
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85211      6.05884     12.26471         0.000000      0.000000      0.019011
      1.07497      6.50752     13.52421         0.001551     -0.000895      0.008859
      2.62924      5.61016     13.52421        -0.001551      0.000895      0.008859
      0.00015     -0.00009      9.91082        -0.002290      0.001322      0.000104
     -1.23474      2.13683      9.90948        -0.000406      0.001549      0.000054
     -2.46994      4.27634      9.92946        -0.002699      0.002253     -0.000361
     -3.70363      6.41501      9.93717        -0.002031      0.001458     -0.000853
     -4.93735      8.55322      9.92774        -0.004139      0.002117     -0.000482
      2.46916     -0.00006      9.92774        -0.003903      0.002526     -0.000482
      1.23392      2.13662      9.91901        -0.003395      0.001396     -0.001212
     -0.00265      4.27071      9.93152        -0.003658      0.003435     -0.002354
     -1.23832      6.41562      9.95362        -0.000257      0.001292     -0.001109
     -2.46890      8.55357      9.93904        -0.001093      0.000631      0.000609
      4.93776      0.00062      9.93717        -0.002278      0.001030     -0.000853
      3.70409      2.13669      9.94047        -0.001510     -0.000558     -0.001267
      2.46985      4.26841      9.96807        -0.003476      0.000963     -0.002325
      1.22909      6.41854      9.97430        -0.004661      0.002691      0.001554
     -0.00209      8.55684      9.95362        -0.001248     -0.000423     -0.001109
      7.40675      0.00155      9.92946        -0.003301      0.001210     -0.000361
      6.17243      2.13877      9.93579        -0.002976      0.001750     -0.000530
      4.93890      4.27668      9.94852         0.000470     -0.000272     -0.000055
      3.71153      6.41908      9.96807        -0.002572      0.002529     -0.002325
      2.47330      8.55917      9.93152        -0.004803      0.001450     -0.002354
      9.87722      0.00159      9.90948        -0.001544     -0.000423      0.000054
      8.64160      2.13893      9.92067        -0.003155      0.001821      0.000302
      7.40715      4.27737      9.93579        -0.003003      0.001703     -0.000530
      6.17478      6.41605      9.94047        -0.000272      0.001587     -0.001267
      4.93975      8.55531      9.91901        -0.002906      0.002242     -0.001212
     -0.00103      1.42455      9.90948         0.001544      0.000423      0.000054
     -1.23554      3.56237      9.91901         0.002906     -0.002242     -0.001212
     -2.47057      5.70163      9.94047         0.000272     -0.001587     -0.001267
     -3.70294      7.84032      9.93579         0.003003     -0.001703     -0.000530
     -4.93739      9.97876      9.92067         0.003155     -0.001821      0.000302
      2.46945      1.42459      9.92946         0.003301     -0.001210     -0.000361
      1.23091      3.55851      9.93152         0.004803     -0.001450     -0.002354
     -0.00732      5.69860      9.96807         0.002572     -0.002529     -0.002325
     -1.23469      7.84100      9.94852        -0.000470      0.000272     -0.000055
     -2.46822      9.97891      9.93579         0.002976     -0.001750     -0.000530
      4.93843      1.42552      9.93717         0.002278     -0.001030     -0.000853
      3.70630      3.56084      9.95362         0.001248      0.000423     -0.001109
      2.47512      5.69914      9.97430         0.004661     -0.002691      0.001554
      1.23437      7.84927      9.96807         0.003476     -0.000963     -0.002325
      0.00012      9.98099      9.94047         0.001510      0.000558     -0.001267
      7.40703      1.42620      9.92774         0.003903     -0.002526     -0.000482
      6.17311      3.56411      9.93904         0.001093     -0.000631      0.000609
      4.94253      5.70206      9.95362         0.000257     -0.001292     -0.001109
      3.70686      7.84698      9.93152         0.003658     -0.003435     -0.002354
      2.47029      9.98106      9.91901         0.003395     -0.001396     -0.001212
      9.87604      1.42622      9.91082         0.002290     -0.001322      0.000104
      8.64156      3.56447      9.92774         0.004139     -0.002117     -0.000482
      7.40784      5.70267      9.93717         0.002031     -0.001458     -0.000853
      6.17415      7.84134      9.92946         0.002699     -0.002253     -0.000361
      4.93895      9.98086      9.90948         0.000406     -0.001549      0.000054
 -----------------------------------------------------------------------------------
    total drift:                               -0.001802      0.000289      0.015448


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.95: CPU time    1.95
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.33: CPU time    1.34
    ORTHCH:  VPU time  181.97: CPU time   91.30
     LOOP+:  VPU time 4524.92: CPU time 2329.39


----------------------------------------- Iteration   40(   1)  ---------------------------------------


    POTLOK:  VPU time    9.29: CPU time    9.11
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1766.90: CPU time  916.45
 BZINTS: Fermi energy: -3.182528;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.86: CPU time   58.06
    MIXING:  VPU time    0.17: CPU time    0.17
    ------------------------------------------
      LOOP:  VPU time 1891.64: CPU time  984.15

 eigenvalue-minimisations  :  5824
 total energy-change (2. order) :-0.4717264E+03  (-0.8771336E-03)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9577018 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.27829E-02    rms(broyden)= 0.27822E-02
  rms(prec ) = 0.31317E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34095.93100588
  -1/2 Hartree   DENC   =    -40987.44506037
  -V(xc)+E(xc)   XCENC  =       726.60552287
  PAW double counting   =      4094.27125792    -4132.61911956
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2473.90988287
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72642252 eV

  energy without entropy =     -471.72642252  energy(sigma->0) =     -471.72642252


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   40(   2)  ---------------------------------------


    POTLOK:  VPU time    9.16: CPU time    9.16
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1500.99: CPU time  773.94
 BZINTS: Fermi energy: -3.182276;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1510.57: CPU time  783.47

 eigenvalue-minimisations  :  4576
 total energy-change (2. order) : 0.2106128E-04  (-0.1771913E-04)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9577018 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34095.93100588
  -1/2 Hartree   DENC   =    -40987.14805272
  -V(xc)+E(xc)   XCENC  =       726.59466476
  PAW double counting   =      4093.96387425    -4132.31018117
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.19756606
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72640146 eV

  energy without entropy =     -471.72640146  energy(sigma->0) =     -471.72640146


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2173       2 -39.5360       3 -39.5360       4 -58.3103       5 -58.3145
       6 -58.3169       7 -58.3115       8 -58.3118       9 -58.3118      10 -58.3181
      11 -58.3843      12 -58.3481      13 -58.3200      14 -58.3115      15 -58.3211
      16 -58.5400      17 -58.7268      18 -58.3481      19 -58.3169      20 -58.3165
      21 -58.3546      22 -58.5400      23 -58.3844      24 -58.3145      25 -58.3198
      26 -58.3165      27 -58.3211      28 -58.3182      29 -58.3143      30 -58.3180
      31 -58.3210      32 -58.3164      33 -58.3197      34 -58.3168      35 -58.3843
      36 -58.5399      37 -58.3545      38 -58.3164      39 -58.3113      40 -58.3480
      41 -58.7267      42 -58.5399      43 -58.3210      44 -58.3117      45 -58.3199
      46 -58.3480      47 -58.3843      48 -58.3181      49 -58.3102      50 -58.3117
      51 -58.3113      52 -58.3169      53 -58.3144
 
 
 
 E-fermi :  -3.1823     XC(G=0):  -2.3439     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4231      1.00000
      2     -21.6000      1.00000
      3     -21.4782      1.00000
      4     -21.4691      1.00000
      5     -21.4375      1.00000
      6     -21.4368      1.00000
      7     -21.4264      1.00000
      8     -19.7044      1.00000
      9     -19.6492      1.00000
     10     -19.6259      1.00000
     11     -19.6152      1.00000
     12     -19.6101      1.00000
     13     -19.6083      1.00000
     14     -18.7870      1.00000
     15     -18.7510      1.00000
     16     -18.7313      1.00000
     17     -18.7219      1.00000
     18     -18.7144      1.00000
     19     -18.7100      1.00000
     20     -16.6314      1.00000
     21     -16.6056      1.00000
     22     -16.5816      1.00000
     23     -16.5784      1.00000
     24     -16.5509      1.00000
     25     -16.5495      1.00000
     26     -15.6108      1.00000
     27     -15.5996      1.00000
     28     -15.5957      1.00000
     29     -15.5609      1.00000
     30     -15.5594      1.00000
     31     -15.5572      1.00000
     32     -14.2560      1.00000
     33     -14.2467      1.00000
     34     -14.2378      1.00000
     35     -14.2329      1.00000
     36     -14.2184      1.00000
     37     -14.2159      1.00000
     38     -11.9027      1.00000
     39     -11.8760      1.00000
     40     -11.8654      1.00000
     41     -11.8615      1.00000
     42     -11.8410      1.00000
     43     -11.8408      1.00000
     44     -11.7672      1.00000
     45     -11.7653      1.00000
     46     -11.7313      1.00000
     47     -11.7251      1.00000
     48     -11.7221      1.00000
     49     -11.7184      1.00000
     50     -10.6738      1.00000
     51     -10.3845      1.00000
     52     -10.3805      1.00000
     53     -10.3732      1.00000
     54     -10.3645      1.00000
     55     -10.3525      1.00000
     56     -10.3498      1.00000
     57      -9.9019      1.00000
     58      -9.4480      1.00000
     59      -9.4028      1.00000
     60      -9.3597      1.00000
     61      -9.3591      1.00000
     62      -9.3512      1.00000
     63      -9.1384      1.00000
     64      -9.1199      1.00000
     65      -9.1172      1.00000
     66      -9.0821      1.00000
     67      -9.0678      1.00000
     68      -9.0667      1.00000
     69      -9.0658      1.00000
     70      -9.0612      1.00000
     71      -9.0609      1.00000
     72      -9.0348      1.00000
     73      -9.0245      1.00000
     74      -9.0228      1.00000
     75      -8.1285      1.00000
     76      -7.7451      1.00000
     77      -7.4665      1.00000
     78      -7.4625      1.00000
     79      -7.4501      1.00000
     80      -7.4309      1.00000
     81      -7.4207      1.00000
     82      -7.4021      1.00000
     83      -7.3100      1.00000
     84      -7.2686      1.00000
     85      -7.2549      1.00000
     86      -7.2459      1.00000
     87      -7.1482      1.00000
     88      -7.0470      1.00000
     89      -6.4439      1.00000
     90      -6.4131      1.00000
     91      -6.3976      1.00000
     92      -6.3608      1.00000
     93      -6.3505      1.00000
     94      -6.3381      1.00000
     95      -5.9567      1.00000
     96      -5.9532      1.00000
     97      -4.8052      1.00000
     98      -4.5425      1.00000
     99      -4.4791      1.00000
    100      -4.4726      1.00000
    101      -4.3799      1.00000
    102      -4.3793      1.00000
    103      -4.2660      1.00000
    104      -4.1861      1.00000
    105      -3.7378      1.00000
    106      -3.4764      1.00000
    107      -1.8617      0.00000
    108      -1.6680      0.00000
    109      -1.6213      0.00000
    110      -1.5889      0.00000
    111      -1.5735      0.00000
    112      -1.5726      0.00000
    113      -0.4278      0.00000
    114       0.1490      0.00000
    115       0.1931      0.00000
    116       0.2569      0.00000
    117       0.2700      0.00000
    118       0.2735      0.00000
    119       0.4795      0.00000
    120       0.5532      0.00000
    121       1.2519      0.00000
    122       1.2920      0.00000
    123       1.5463      0.00000
    124       1.7757      0.00000
    125       1.7780      0.00000
    126       1.7793      0.00000
    127       1.7840      0.00000
    128       1.8321      0.00000
    129       1.9595      0.00000
    130       1.9717      0.00000
    131       1.9769      0.00000
    132       1.9912      0.00000
    133       1.9983      0.00000
    134       2.0847      0.00000
    135       2.2587      0.00000
    136       2.3461      0.00000
    137       2.6201      0.00000
    138       2.6208      0.00000
    139       2.6502      0.00000
    140       2.7141      0.00000
    141       2.9367      0.00000
    142       3.0376      0.00000
    143       3.0458      0.00000
    144       3.0791      0.00000
    145       3.0805      0.00000
    146       3.0852      0.00000
    147       3.0961      0.00000
    148       3.2819      0.00000
    149       3.4469      0.00000
    150       3.5123      0.00000
    151       3.8230      0.00000
    152       3.9586      0.00000
    153       3.9586      0.00000
    154       3.9610      0.00000
    155       3.9674      0.00000
    156       4.0004      0.00000
    157       4.1893      0.00000
    158       4.2647      0.00000
    159       4.2755      0.00000
    160       4.2865      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3864      1.00000
      2     -21.8273      1.00000
      3     -21.6349      1.00000
      4     -21.6072      1.00000
      5     -21.2714      1.00000
      6     -21.2320      1.00000
      7     -21.0536      1.00000
      8     -20.1645      1.00000
      9     -20.1263      1.00000
     10     -19.6054      1.00000
     11     -19.5940      1.00000
     12     -19.4140      1.00000
     13     -19.0864      1.00000
     14     -19.0570      1.00000
     15     -19.0457      1.00000
     16     -19.0378      1.00000
     17     -18.3575      1.00000
     18     -18.3487      1.00000
     19     -18.0159      1.00000
     20     -17.0660      1.00000
     21     -17.0273      1.00000
     22     -16.9409      1.00000
     23     -16.9365      1.00000
     24     -16.4646      1.00000
     25     -16.4599      1.00000
     26     -15.6100      1.00000
     27     -15.6042      1.00000
     28     -15.2491      1.00000
     29     -15.2400      1.00000
     30     -15.1817      1.00000
     31     -15.0952      1.00000
     32     -15.0677      1.00000
     33     -14.6951      1.00000
     34     -14.6927      1.00000
     35     -13.7233      1.00000
     36     -13.7200      1.00000
     37     -13.2328      1.00000
     38     -12.6115      1.00000
     39     -12.5808      1.00000
     40     -12.4512      1.00000
     41     -12.4469      1.00000
     42     -12.1061      1.00000
     43     -12.1007      1.00000
     44     -11.7132      1.00000
     45     -11.6823      1.00000
     46     -11.2317      1.00000
     47     -11.2229      1.00000
     48     -11.0146      1.00000
     49     -11.0063      1.00000
     50     -10.9226      1.00000
     51     -10.9014      1.00000
     52     -10.6288      1.00000
     53     -10.1522      1.00000
     54     -10.1473      1.00000
     55     -10.0891      1.00000
     56      -9.9962      1.00000
     57      -9.6988      1.00000
     58      -9.6923      1.00000
     59      -9.6529      1.00000
     60      -9.5893      1.00000
     61      -9.5723      1.00000
     62      -9.5560      1.00000
     63      -9.3043      1.00000
     64      -9.2997      1.00000
     65      -9.2713      1.00000
     66      -9.2324      1.00000
     67      -9.1341      1.00000
     68      -9.1128      1.00000
     69      -9.1071      1.00000
     70      -8.9370      1.00000
     71      -8.8679      1.00000
     72      -8.6003      1.00000
     73      -8.5875      1.00000
     74      -8.2347      1.00000
     75      -8.0980      1.00000
     76      -7.9112      1.00000
     77      -7.8596      1.00000
     78      -7.7691      1.00000
     79      -7.7531      1.00000
     80      -7.6900      1.00000
     81      -7.5591      1.00000
     82      -7.3365      1.00000
     83      -7.3190      1.00000
     84      -7.2020      1.00000
     85      -7.1208      1.00000
     86      -7.0296      1.00000
     87      -7.0080      1.00000
     88      -6.7020      1.00000
     89      -6.6754      1.00000
     90      -6.6383      1.00000
     91      -6.5954      1.00000
     92      -6.1135      1.00000
     93      -6.0592      1.00000
     94      -6.0274      1.00000
     95      -6.0088      1.00000
     96      -5.7807      1.00000
     97      -4.9726      1.00000
     98      -4.8299      1.00000
     99      -4.7445      1.00000
    100      -4.6771      1.00000
    101      -4.4678      1.00000
    102      -4.2025      1.00000
    103      -4.1700      1.00000
    104      -4.1257      1.00000
    105      -3.7281      1.00000
    106      -3.4866      1.00000
    107      -1.8690      0.00000
    108      -1.8062      0.00000
    109      -1.5229      0.00000
    110      -1.3745      0.00000
    111      -1.3197      0.00000
    112      -1.2857      0.00000
    113      -0.7186      0.00000
    114      -0.3745      0.00000
    115      -0.2471      0.00000
    116       0.0389      0.00000
    117       0.5605      0.00000
    118       0.7016      0.00000
    119       0.7483      0.00000
    120       1.0502      0.00000
    121       1.1014      0.00000
    122       1.1528      0.00000
    123       1.2294      0.00000
    124       1.3812      0.00000
    125       1.5290      0.00000
    126       1.5917      0.00000
    127       1.7177      0.00000
    128       1.8056      0.00000
    129       1.8589      0.00000
    130       1.8842      0.00000
    131       2.0988      0.00000
    132       2.1939      0.00000
    133       2.2452      0.00000
    134       2.3117      0.00000
    135       2.5190      0.00000
    136       2.5966      0.00000
    137       2.6251      0.00000
    138       2.7817      0.00000
    139       2.7947      0.00000
    140       2.8263      0.00000
    141       2.8435      0.00000
    142       2.9038      0.00000
    143       2.9347      0.00000
    144       3.0899      0.00000
    145       3.1587      0.00000
    146       3.3172      0.00000
    147       3.3684      0.00000
    148       3.4151      0.00000
    149       3.4694      0.00000
    150       3.6120      0.00000
    151       3.6447      0.00000
    152       3.6644      0.00000
    153       3.7124      0.00000
    154       3.9143      0.00000
    155       3.9617      0.00000
    156       4.0207      0.00000
    157       4.0690      0.00000
    158       4.2394      0.00000
    159       4.2534      0.00000
    160       4.2777      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2804      1.00000
      2     -22.0748      1.00000
      3     -21.7134      1.00000
      4     -21.6816      1.00000
      5     -20.9762      1.00000
      6     -20.9356      1.00000
      7     -20.6087      1.00000
      8     -20.5719      1.00000
      9     -20.5658      1.00000
     10     -20.0295      1.00000
     11     -19.5002      1.00000
     12     -19.4882      1.00000
     13     -19.3037      1.00000
     14     -19.2980      1.00000
     15     -18.4445      1.00000
     16     -18.4078      1.00000
     17     -17.9193      1.00000
     18     -17.9094      1.00000
     19     -17.7584      1.00000
     20     -17.7227      1.00000
     21     -17.4328      1.00000
     22     -17.4250      1.00000
     23     -17.3378      1.00000
     24     -16.4594      1.00000
     25     -16.4584      1.00000
     26     -15.9639      1.00000
     27     -15.4103      1.00000
     28     -15.4056      1.00000
     29     -15.0928      1.00000
     30     -15.0898      1.00000
     31     -14.8519      1.00000
     32     -14.8437      1.00000
     33     -14.2876      1.00000
     34     -14.2542      1.00000
     35     -13.4340      1.00000
     36     -13.4009      1.00000
     37     -13.1743      1.00000
     38     -13.1702      1.00000
     39     -12.9785      1.00000
     40     -12.9734      1.00000
     41     -12.6100      1.00000
     42     -12.6058      1.00000
     43     -12.1949      1.00000
     44     -11.5724      1.00000
     45     -11.5387      1.00000
     46     -11.3065      1.00000
     47     -11.2839      1.00000
     48     -11.1392      1.00000
     49     -10.6725      1.00000
     50     -10.6578      1.00000
     51     -10.5508      1.00000
     52     -10.3209      1.00000
     53     -10.3138      1.00000
     54     -10.1666      1.00000
     55     -10.1123      1.00000
     56     -10.1088      1.00000
     57      -9.7954      1.00000
     58      -9.7626      1.00000
     59      -9.7480      1.00000
     60      -9.6959      1.00000
     61      -9.6944      1.00000
     62      -9.6594      1.00000
     63      -9.3521      1.00000
     64      -9.3472      1.00000
     65      -9.3112      1.00000
     66      -9.0386      1.00000
     67      -8.9596      1.00000
     68      -8.9455      1.00000
     69      -8.7970      1.00000
     70      -8.5910      1.00000
     71      -8.5550      1.00000
     72      -8.3958      1.00000
     73      -8.3624      1.00000
     74      -8.3207      1.00000
     75      -8.3038      1.00000
     76      -8.2550      1.00000
     77      -8.2536      1.00000
     78      -8.2321      1.00000
     79      -7.9026      1.00000
     80      -7.6495      1.00000
     81      -7.5479      1.00000
     82      -7.3842      1.00000
     83      -7.3460      1.00000
     84      -7.2283      1.00000
     85      -7.0940      1.00000
     86      -7.0360      1.00000
     87      -6.9314      1.00000
     88      -6.8458      1.00000
     89      -6.6083      1.00000
     90      -6.5562      1.00000
     91      -6.2655      1.00000
     92      -6.0414      1.00000
     93      -5.9491      1.00000
     94      -5.6602      1.00000
     95      -5.6202      1.00000
     96      -5.4609      1.00000
     97      -5.3176      1.00000
     98      -5.2762      1.00000
     99      -5.2113      1.00000
    100      -5.1914      1.00000
    101      -4.5079      1.00000
    102      -4.2069      1.00000
    103      -4.0577      1.00000
    104      -3.9867      1.00000
    105      -3.6928      1.00000
    106      -3.4969      1.00000
    107      -1.9440      0.00000
    108      -1.8940      0.00000
    109      -1.3380      0.00000
    110      -1.0831      0.00000
    111      -1.0552      0.00000
    112      -0.7988      0.00000
    113      -0.6747      0.00000
    114      -0.6453      0.00000
    115      -0.6050      0.00000
    116      -0.1064      0.00000
    117       0.2176      0.00000
    118       0.3311      0.00000
    119       0.6987      0.00000
    120       0.8921      0.00000
    121       1.1302      0.00000
    122       1.2013      0.00000
    123       1.3305      0.00000
    124       1.4264      0.00000
    125       1.5577      0.00000
    126       1.5785      0.00000
    127       1.6868      0.00000
    128       1.8079      0.00000
    129       1.8879      0.00000
    130       2.0600      0.00000
    131       2.1115      0.00000
    132       2.3167      0.00000
    133       2.3574      0.00000
    134       2.4018      0.00000
    135       2.5544      0.00000
    136       2.6337      0.00000
    137       2.7318      0.00000
    138       2.7431      0.00000
    139       2.8098      0.00000
    140       2.8835      0.00000
    141       3.0499      0.00000
    142       3.0606      0.00000
    143       3.1694      0.00000
    144       3.2684      0.00000
    145       3.3651      0.00000
    146       3.4191      0.00000
    147       3.4373      0.00000
    148       3.5670      0.00000
    149       3.5856      0.00000
    150       3.6022      0.00000
    151       3.6619      0.00000
    152       3.6790      0.00000
    153       3.7761      0.00000
    154       3.7916      0.00000
    155       3.8026      0.00000
    156       3.8938      0.00000
    157       3.9271      0.00000
    158       3.9953      0.00000
    159       4.2165      0.00000
    160       4.2281      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3144      1.00000
      2     -21.9597      1.00000
      3     -21.8904      1.00000
      4     -21.3777      1.00000
      5     -21.3484      1.00000
      6     -20.8366      1.00000
      7     -20.7712      1.00000
      8     -20.6210      1.00000
      9     -20.0742      1.00000
     10     -20.0687      1.00000
     11     -19.7137      1.00000
     12     -19.6891      1.00000
     13     -18.9930      1.00000
     14     -18.9875      1.00000
     15     -18.6372      1.00000
     16     -18.6213      1.00000
     17     -18.4591      1.00000
     18     -17.6723      1.00000
     19     -17.6219      1.00000
     20     -17.6191      1.00000
     21     -17.5772      1.00000
     22     -17.1233      1.00000
     23     -17.1016      1.00000
     24     -16.9587      1.00000
     25     -15.9986      1.00000
     26     -15.9253      1.00000
     27     -15.5826      1.00000
     28     -15.5824      1.00000
     29     -15.2831      1.00000
     30     -14.8611      1.00000
     31     -14.8336      1.00000
     32     -14.5761      1.00000
     33     -14.5341      1.00000
     34     -14.1644      1.00000
     35     -14.1511      1.00000
     36     -13.1454      1.00000
     37     -13.0977      1.00000
     38     -13.0268      1.00000
     39     -13.0165      1.00000
     40     -12.7061      1.00000
     41     -12.7022      1.00000
     42     -12.3377      1.00000
     43     -12.3064      1.00000
     44     -11.6320      1.00000
     45     -11.6182      1.00000
     46     -11.5676      1.00000
     47     -10.9454      1.00000
     48     -10.9124      1.00000
     49     -10.6301      1.00000
     50     -10.6220      1.00000
     51     -10.5448      1.00000
     52     -10.4956      1.00000
     53     -10.4955      1.00000
     54     -10.4373      1.00000
     55     -10.3580      1.00000
     56     -10.0970      1.00000
     57      -9.9009      1.00000
     58      -9.6065      1.00000
     59      -9.5538      1.00000
     60      -9.4494      1.00000
     61      -9.4080      1.00000
     62      -9.4018      1.00000
     63      -9.3747      1.00000
     64      -9.3745      1.00000
     65      -9.2848      1.00000
     66      -9.1644      1.00000
     67      -9.1390      1.00000
     68      -9.1100      1.00000
     69      -8.8606      1.00000
     70      -8.8530      1.00000
     71      -8.8128      1.00000
     72      -8.5944      1.00000
     73      -8.4776      1.00000
     74      -8.1946      1.00000
     75      -8.1592      1.00000
     76      -8.0066      1.00000
     77      -7.9623      1.00000
     78      -7.8487      1.00000
     79      -7.8379      1.00000
     80      -7.7012      1.00000
     81      -7.6940      1.00000
     82      -7.6197      1.00000
     83      -7.4466      1.00000
     84      -7.2982      1.00000
     85      -7.2515      1.00000
     86      -6.9026      1.00000
     87      -6.8888      1.00000
     88      -6.5860      1.00000
     89      -6.5487      1.00000
     90      -6.4046      1.00000
     91      -6.2510      1.00000
     92      -6.2303      1.00000
     93      -6.2003      1.00000
     94      -6.0205      1.00000
     95      -5.5475      1.00000
     96      -5.4865      1.00000
     97      -5.3481      1.00000
     98      -5.2171      1.00000
     99      -4.9772      1.00000
    100      -4.7308      1.00000
    101      -4.6757      1.00000
    102      -4.3862      1.00000
    103      -4.2022      1.00000
    104      -3.8697      1.00000
    105      -3.5445      1.00000
    106      -3.5091      1.00000
    107      -2.2534      0.00000
    108      -1.4560      0.00000
    109      -1.3681      0.00000
    110      -1.2394      0.00000
    111      -1.0961      0.00000
    112      -0.9435      0.00000
    113      -0.8620      0.00000
    114      -0.8016      0.00000
    115      -0.1378      0.00000
    116       0.1144      0.00000
    117       0.2433      0.00000
    118       0.3798      0.00000
    119       0.6564      0.00000
    120       0.8379      0.00000
    121       0.9385      0.00000
    122       1.0679      0.00000
    123       1.2384      0.00000
    124       1.4521      0.00000
    125       1.5578      0.00000
    126       1.7678      0.00000
    127       1.7949      0.00000
    128       1.8704      0.00000
    129       1.9778      0.00000
    130       2.0434      0.00000
    131       2.1839      0.00000
    132       2.1905      0.00000
    133       2.4147      0.00000
    134       2.4415      0.00000
    135       2.5184      0.00000
    136       2.6066      0.00000
    137       2.6373      0.00000
    138       2.7007      0.00000
    139       2.7800      0.00000
    140       2.8411      0.00000
    141       2.9554      0.00000
    142       3.0862      0.00000
    143       3.1960      0.00000
    144       3.2057      0.00000
    145       3.2461      0.00000
    146       3.3247      0.00000
    147       3.3278      0.00000
    148       3.4704      0.00000
    149       3.5071      0.00000
    150       3.6998      0.00000
    151       3.7155      0.00000
    152       3.7284      0.00000
    153       3.8627      0.00000
    154       3.9091      0.00000
    155       3.9499      0.00000
    156       3.9833      0.00000
    157       4.0034      0.00000
    158       4.0362      0.00000
    159       4.0538      0.00000
    160       4.0617      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2074      1.00000
      2     -22.1143      1.00000
      3     -21.9536      1.00000
      4     -21.4012      1.00000
      5     -21.0467      1.00000
      6     -21.0107      1.00000
      7     -20.4976      1.00000
      8     -20.4580      1.00000
      9     -20.2918      1.00000
     10     -20.2725      1.00000
     11     -19.9544      1.00000
     12     -19.8885      1.00000
     13     -18.8793      1.00000
     14     -18.8105      1.00000
     15     -18.3499      1.00000
     16     -18.3035      1.00000
     17     -18.1498      1.00000
     18     -18.1327      1.00000
     19     -17.8236      1.00000
     20     -17.7861      1.00000
     21     -17.2488      1.00000
     22     -17.2385      1.00000
     23     -17.1617      1.00000
     24     -17.1297      1.00000
     25     -16.1071      1.00000
     26     -15.8819      1.00000
     27     -15.8671      1.00000
     28     -15.8308      1.00000
     29     -15.2334      1.00000
     30     -14.5517      1.00000
     31     -14.5238      1.00000
     32     -14.2770      1.00000
     33     -13.9611      1.00000
     34     -13.9534      1.00000
     35     -13.8174      1.00000
     36     -13.8015      1.00000
     37     -13.6113      1.00000
     38     -13.5675      1.00000
     39     -13.3665      1.00000
     40     -12.6313      1.00000
     41     -12.1776      1.00000
     42     -12.1296      1.00000
     43     -12.0683      1.00000
     44     -12.0160      1.00000
     45     -11.6670      1.00000
     46     -11.6535      1.00000
     47     -11.1355      1.00000
     48     -11.1150      1.00000
     49     -10.7908      1.00000
     50     -10.7272      1.00000
     51     -10.5269      1.00000
     52     -10.2065      1.00000
     53     -10.2018      1.00000
     54     -10.1620      1.00000
     55     -10.0149      1.00000
     56     -10.0016      1.00000
     57      -9.9874      1.00000
     58      -9.7982      1.00000
     59      -9.7945      1.00000
     60      -9.7593      1.00000
     61      -9.7543      1.00000
     62      -9.4506      1.00000
     63      -9.4149      1.00000
     64      -9.0778      1.00000
     65      -9.0698      1.00000
     66      -9.0376      1.00000
     67      -8.9518      1.00000
     68      -8.8747      1.00000
     69      -8.7092      1.00000
     70      -8.6968      1.00000
     71      -8.5621      1.00000
     72      -8.5390      1.00000
     73      -8.4966      1.00000
     74      -8.4601      1.00000
     75      -8.4494      1.00000
     76      -8.2580      1.00000
     77      -8.1231      1.00000
     78      -8.0409      1.00000
     79      -7.9130      1.00000
     80      -7.8611      1.00000
     81      -7.6125      1.00000
     82      -7.5454      1.00000
     83      -7.4874      1.00000
     84      -7.2666      1.00000
     85      -6.9929      1.00000
     86      -6.9203      1.00000
     87      -6.8795      1.00000
     88      -6.5285      1.00000
     89      -6.4833      1.00000
     90      -6.4586      1.00000
     91      -6.4076      1.00000
     92      -5.9816      1.00000
     93      -5.8950      1.00000
     94      -5.7820      1.00000
     95      -5.7571      1.00000
     96      -5.4297      1.00000
     97      -5.3271      1.00000
     98      -5.2275      1.00000
     99      -5.2152      1.00000
    100      -5.1861      1.00000
    101      -4.6903      1.00000
    102      -4.4205      1.00000
    103      -4.2088      1.00000
    104      -3.8330      1.00000
    105      -3.5282      1.00000
    106      -3.2721      1.00000
    107      -2.5287      0.00000
    108      -1.4573      0.00000
    109      -1.2639      0.00000
    110      -1.2008      0.00000
    111      -1.1700      0.00000
    112      -0.7184      0.00000
    113      -0.5015      0.00000
    114      -0.4100      0.00000
    115      -0.3369      0.00000
    116      -0.1442      0.00000
    117      -0.0010      0.00000
    118       0.1960      0.00000
    119       0.5641      0.00000
    120       0.6145      0.00000
    121       0.8002      0.00000
    122       0.9122      0.00000
    123       1.1376      0.00000
    124       1.5002      0.00000
    125       1.6387      0.00000
    126       1.8633      0.00000
    127       1.9318      0.00000
    128       2.1101      0.00000
    129       2.1221      0.00000
    130       2.1326      0.00000
    131       2.1798      0.00000
    132       2.2818      0.00000
    133       2.3316      0.00000
    134       2.4614      0.00000
    135       2.5801      0.00000
    136       2.6624      0.00000
    137       2.8588      0.00000
    138       2.8734      0.00000
    139       2.8978      0.00000
    140       3.0169      0.00000
    141       3.0282      0.00000
    142       3.1454      0.00000
    143       3.1668      0.00000
    144       3.2337      0.00000
    145       3.2757      0.00000
    146       3.2888      0.00000
    147       3.3040      0.00000
    148       3.3502      0.00000
    149       3.4282      0.00000
    150       3.4475      0.00000
    151       3.5577      0.00000
    152       3.6219      0.00000
    153       3.6915      0.00000
    154       3.7192      0.00000
    155       3.7797      0.00000
    156       3.8987      0.00000
    157       3.9417      0.00000
    158       4.0098      0.00000
    159       4.1408      0.00000
    160       4.2304      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3142      1.00000
      2     -21.9612      1.00000
      3     -21.8890      1.00000
      4     -21.3815      1.00000
      5     -21.3450      1.00000
      6     -20.8363      1.00000
      7     -20.7698      1.00000
      8     -20.6217      1.00000
      9     -20.0864      1.00000
     10     -20.0577      1.00000
     11     -19.7153      1.00000
     12     -19.6864      1.00000
     13     -19.0066      1.00000
     14     -18.9755      1.00000
     15     -18.6466      1.00000
     16     -18.6140      1.00000
     17     -18.4573      1.00000
     18     -17.6575      1.00000
     19     -17.6432      1.00000
     20     -17.6072      1.00000
     21     -17.5746      1.00000
     22     -17.1341      1.00000
     23     -17.0942      1.00000
     24     -16.9627      1.00000
     25     -16.0051      1.00000
     26     -15.9200      1.00000
     27     -15.5954      1.00000
     28     -15.5719      1.00000
     29     -15.2767      1.00000
     30     -14.8734      1.00000
     31     -14.8263      1.00000
     32     -14.5712      1.00000
     33     -14.5335      1.00000
     34     -14.1609      1.00000
     35     -14.1567      1.00000
     36     -13.1590      1.00000
     37     -13.0921      1.00000
     38     -13.0195      1.00000
     39     -13.0150      1.00000
     40     -12.7144      1.00000
     41     -12.6912      1.00000
     42     -12.3373      1.00000
     43     -12.3101      1.00000
     44     -11.6286      1.00000
     45     -11.6195      1.00000
     46     -11.5669      1.00000
     47     -10.9376      1.00000
     48     -10.9196      1.00000
     49     -10.6661      1.00000
     50     -10.5861      1.00000
     51     -10.5703      1.00000
     52     -10.4980      1.00000
     53     -10.4854      1.00000
     54     -10.4354      1.00000
     55     -10.3522      1.00000
     56     -10.1014      1.00000
     57      -9.8951      1.00000
     58      -9.6046      1.00000
     59      -9.5474      1.00000
     60      -9.4515      1.00000
     61      -9.4155      1.00000
     62      -9.4056      1.00000
     63      -9.3756      1.00000
     64      -9.3682      1.00000
     65      -9.2649      1.00000
     66      -9.1624      1.00000
     67      -9.1382      1.00000
     68      -9.1127      1.00000
     69      -8.8629      1.00000
     70      -8.8567      1.00000
     71      -8.8000      1.00000
     72      -8.5939      1.00000
     73      -8.5244      1.00000
     74      -8.1900      1.00000
     75      -8.1672      1.00000
     76      -8.0737      1.00000
     77      -7.8540      1.00000
     78      -7.8338      1.00000
     79      -7.8205      1.00000
     80      -7.7073      1.00000
     81      -7.6924      1.00000
     82      -7.5950      1.00000
     83      -7.5283      1.00000
     84      -7.3478      1.00000
     85      -7.1659      1.00000
     86      -6.9023      1.00000
     87      -6.8920      1.00000
     88      -6.5901      1.00000
     89      -6.5489      1.00000
     90      -6.4019      1.00000
     91      -6.2997      1.00000
     92      -6.2449      1.00000
     93      -6.1983      1.00000
     94      -6.0016      1.00000
     95      -5.5295      1.00000
     96      -5.4629      1.00000
     97      -5.3117      1.00000
     98      -5.2070      1.00000
     99      -5.0447      1.00000
    100      -4.7214      1.00000
    101      -4.6695      1.00000
    102      -4.4229      1.00000
    103      -4.1938      1.00000
    104      -3.8416      1.00000
    105      -3.6330      1.00000
    106      -3.4144      1.00000
    107      -2.2909      0.00000
    108      -1.5083      0.00000
    109      -1.2679      0.00000
    110      -1.2602      0.00000
    111      -1.0324      0.00000
    112      -0.9746      0.00000
    113      -0.8659      0.00000
    114      -0.7974      0.00000
    115      -0.2602      0.00000
    116       0.2060      0.00000
    117       0.2415      0.00000
    118       0.3623      0.00000
    119       0.6957      0.00000
    120       0.8967      0.00000
    121       0.9259      0.00000
    122       1.0442      0.00000
    123       1.1716      0.00000
    124       1.5142      0.00000
    125       1.5656      0.00000
    126       1.7158      0.00000
    127       1.7810      0.00000
    128       1.8341      0.00000
    129       1.9576      0.00000
    130       1.9923      0.00000
    131       2.1803      0.00000
    132       2.2700      0.00000
    133       2.4226      0.00000
    134       2.4466      0.00000
    135       2.5138      0.00000
    136       2.6026      0.00000
    137       2.6202      0.00000
    138       2.7044      0.00000
    139       2.7594      0.00000
    140       2.8700      0.00000
    141       3.0416      0.00000
    142       3.0847      0.00000
    143       3.1830      0.00000
    144       3.2390      0.00000
    145       3.2463      0.00000
    146       3.2972      0.00000
    147       3.3553      0.00000
    148       3.4563      0.00000
    149       3.5269      0.00000
    150       3.6957      0.00000
    151       3.7197      0.00000
    152       3.7500      0.00000
    153       3.8342      0.00000
    154       3.8874      0.00000
    155       3.9368      0.00000
    156       3.9810      0.00000
    157       4.0098      0.00000
    158       4.0276      0.00000
    159       4.0453      0.00000
    160       4.0803      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3864      1.00000
      2     -21.8276      1.00000
      3     -21.6382      1.00000
      4     -21.6032      1.00000
      5     -21.2756      1.00000
      6     -21.2285      1.00000
      7     -21.0531      1.00000
      8     -20.1682      1.00000
      9     -20.1220      1.00000
     10     -19.6142      1.00000
     11     -19.5873      1.00000
     12     -19.4122      1.00000
     13     -19.0915      1.00000
     14     -19.0529      1.00000
     15     -19.0484      1.00000
     16     -19.0351      1.00000
     17     -18.3639      1.00000
     18     -18.3435      1.00000
     19     -18.0131      1.00000
     20     -17.0690      1.00000
     21     -17.0202      1.00000
     22     -16.9465      1.00000
     23     -16.9324      1.00000
     24     -16.4715      1.00000
     25     -16.4601      1.00000
     26     -15.6064      1.00000
     27     -15.6060      1.00000
     28     -15.2470      1.00000
     29     -15.2342      1.00000
     30     -15.1875      1.00000
     31     -15.0977      1.00000
     32     -15.0641      1.00000
     33     -14.6955      1.00000
     34     -14.6940      1.00000
     35     -13.7222      1.00000
     36     -13.7215      1.00000
     37     -13.2311      1.00000
     38     -12.6208      1.00000
     39     -12.5760      1.00000
     40     -12.4509      1.00000
     41     -12.4452      1.00000
     42     -12.1025      1.00000
     43     -12.0968      1.00000
     44     -11.7189      1.00000
     45     -11.6803      1.00000
     46     -11.2424      1.00000
     47     -11.2211      1.00000
     48     -11.0137      1.00000
     49     -11.0017      1.00000
     50     -10.9247      1.00000
     51     -10.8961      1.00000
     52     -10.6349      1.00000
     53     -10.1683      1.00000
     54     -10.1454      1.00000
     55     -10.0802      1.00000
     56      -9.9896      1.00000
     57      -9.6926      1.00000
     58      -9.6864      1.00000
     59      -9.6676      1.00000
     60      -9.5883      1.00000
     61      -9.5648      1.00000
     62      -9.5510      1.00000
     63      -9.3090      1.00000
     64      -9.2959      1.00000
     65      -9.2803      1.00000
     66      -9.2405      1.00000
     67      -9.1194      1.00000
     68      -9.1082      1.00000
     69      -9.1069      1.00000
     70      -8.9369      1.00000
     71      -8.8730      1.00000
     72      -8.6019      1.00000
     73      -8.5839      1.00000
     74      -8.2693      1.00000
     75      -8.0968      1.00000
     76      -7.8654      1.00000
     77      -7.8409      1.00000
     78      -7.7886      1.00000
     79      -7.7614      1.00000
     80      -7.7513      1.00000
     81      -7.4459      1.00000
     82      -7.3308      1.00000
     83      -7.3184      1.00000
     84      -7.2634      1.00000
     85      -7.1602      1.00000
     86      -7.0129      1.00000
     87      -6.9839      1.00000
     88      -6.7149      1.00000
     89      -6.6882      1.00000
     90      -6.6291      1.00000
     91      -6.5881      1.00000
     92      -6.1128      1.00000
     93      -6.0567      1.00000
     94      -6.0420      1.00000
     95      -6.0265      1.00000
     96      -5.7455      1.00000
     97      -4.9729      1.00000
     98      -4.8373      1.00000
     99      -4.7065      1.00000
    100      -4.6713      1.00000
    101      -4.4824      1.00000
    102      -4.3512      1.00000
    103      -4.1096      1.00000
    104      -4.0538      1.00000
    105      -3.7536      1.00000
    106      -3.4641      1.00000
    107      -1.9501      0.00000
    108      -1.7689      0.00000
    109      -1.4779      0.00000
    110      -1.3535      0.00000
    111      -1.3334      0.00000
    112      -1.2895      0.00000
    113      -0.6758      0.00000
    114      -0.4702      0.00000
    115      -0.2342      0.00000
    116       0.0536      0.00000
    117       0.5928      0.00000
    118       0.6935      0.00000
    119       0.7720      0.00000
    120       1.0259      0.00000
    121       1.0993      0.00000
    122       1.1793      0.00000
    123       1.2524      0.00000
    124       1.3387      0.00000
    125       1.4386      0.00000
    126       1.6088      0.00000
    127       1.7558      0.00000
    128       1.8455      0.00000
    129       1.8598      0.00000
    130       1.8907      0.00000
    131       2.0439      0.00000
    132       2.2217      0.00000
    133       2.2404      0.00000
    134       2.2925      0.00000
    135       2.4831      0.00000
    136       2.6167      0.00000
    137       2.6356      0.00000
    138       2.7618      0.00000
    139       2.7898      0.00000
    140       2.8383      0.00000
    141       2.8507      0.00000
    142       2.8542      0.00000
    143       2.9360      0.00000
    144       3.0950      0.00000
    145       3.3149      0.00000
    146       3.3479      0.00000
    147       3.3927      0.00000
    148       3.4130      0.00000
    149       3.4256      0.00000
    150       3.5964      0.00000
    151       3.6404      0.00000
    152       3.6781      0.00000
    153       3.7336      0.00000
    154       3.8983      0.00000
    155       3.9276      0.00000
    156       3.9555      0.00000
    157       4.1076      0.00000
    158       4.2069      0.00000
    159       4.2571      0.00000
    160       4.2855      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2065      1.00000
      2     -22.1157      1.00000
      3     -21.9534      1.00000
      4     -21.4014      1.00000
      5     -21.0428      1.00000
      6     -21.0145      1.00000
      7     -20.4927      1.00000
      8     -20.4629      1.00000
      9     -20.2828      1.00000
     10     -20.2808      1.00000
     11     -19.9535      1.00000
     12     -19.8903      1.00000
     13     -18.8803      1.00000
     14     -18.8126      1.00000
     15     -18.3345      1.00000
     16     -18.3149      1.00000
     17     -18.1458      1.00000
     18     -18.1382      1.00000
     19     -17.8125      1.00000
     20     -17.7941      1.00000
     21     -17.2548      1.00000
     22     -17.2353      1.00000
     23     -17.1568      1.00000
     24     -17.1324      1.00000
     25     -16.1123      1.00000
     26     -15.8775      1.00000
     27     -15.8663      1.00000
     28     -15.8371      1.00000
     29     -15.2277      1.00000
     30     -14.5479      1.00000
     31     -14.5296      1.00000
     32     -14.2725      1.00000
     33     -13.9711      1.00000
     34     -13.9473      1.00000
     35     -13.8208      1.00000
     36     -13.7989      1.00000
     37     -13.6010      1.00000
     38     -13.5755      1.00000
     39     -13.3663      1.00000
     40     -12.6346      1.00000
     41     -12.1660      1.00000
     42     -12.1393      1.00000
     43     -12.0650      1.00000
     44     -12.0181      1.00000
     45     -11.6606      1.00000
     46     -11.6560      1.00000
     47     -11.1337      1.00000
     48     -11.1228      1.00000
     49     -10.7879      1.00000
     50     -10.7315      1.00000
     51     -10.5337      1.00000
     52     -10.2042      1.00000
     53     -10.1982      1.00000
     54     -10.1677      1.00000
     55     -10.0190      1.00000
     56      -9.9913      1.00000
     57      -9.9861      1.00000
     58      -9.8012      1.00000
     59      -9.7918      1.00000
     60      -9.7608      1.00000
     61      -9.7535      1.00000
     62      -9.4519      1.00000
     63      -9.4149      1.00000
     64      -9.0810      1.00000
     65      -9.0418      1.00000
     66      -9.0227      1.00000
     67      -8.9675      1.00000
     68      -8.8952      1.00000
     69      -8.7040      1.00000
     70      -8.6951      1.00000
     71      -8.5576      1.00000
     72      -8.5469      1.00000
     73      -8.4753      1.00000
     74      -8.4561      1.00000
     75      -8.4535      1.00000
     76      -8.3062      1.00000
     77      -8.0925      1.00000
     78      -8.0867      1.00000
     79      -7.9222      1.00000
     80      -7.8292      1.00000
     81      -7.5984      1.00000
     82      -7.5350      1.00000
     83      -7.4414      1.00000
     84      -7.3134      1.00000
     85      -6.9892      1.00000
     86      -6.9148      1.00000
     87      -6.8773      1.00000
     88      -6.5257      1.00000
     89      -6.5125      1.00000
     90      -6.4785      1.00000
     91      -6.4180      1.00000
     92      -5.9245      1.00000
     93      -5.9032      1.00000
     94      -5.7864      1.00000
     95      -5.7721      1.00000
     96      -5.3673      1.00000
     97      -5.3604      1.00000
     98      -5.2181      1.00000
     99      -5.2129      1.00000
    100      -5.1960      1.00000
    101      -4.7184      1.00000
    102      -4.4416      1.00000
    103      -4.1899      1.00000
    104      -3.8194      1.00000
    105      -3.5645      1.00000
    106      -3.2188      1.00000
    107      -2.5610      0.00000
    108      -1.4624      0.00000
    109      -1.2639      0.00000
    110      -1.1834      0.00000
    111      -1.1820      0.00000
    112      -0.6431      0.00000
    113      -0.5490      0.00000
    114      -0.4130      0.00000
    115      -0.3455      0.00000
    116      -0.0752      0.00000
    117      -0.0605      0.00000
    118       0.1284      0.00000
    119       0.5946      0.00000
    120       0.6283      0.00000
    121       0.8600      0.00000
    122       0.9910      0.00000
    123       1.0075      0.00000
    124       1.4982      0.00000
    125       1.6874      0.00000
    126       1.7756      0.00000
    127       1.8689      0.00000
    128       2.1212      0.00000
    129       2.1276      0.00000
    130       2.1827      0.00000
    131       2.2115      0.00000
    132       2.2548      0.00000
    133       2.3465      0.00000
    134       2.4989      0.00000
    135       2.5006      0.00000
    136       2.6717      0.00000
    137       2.8548      0.00000
    138       2.8620      0.00000
    139       2.9582      0.00000
    140       3.0050      0.00000
    141       3.0432      0.00000
    142       3.1400      0.00000
    143       3.1779      0.00000
    144       3.2493      0.00000
    145       3.2521      0.00000
    146       3.2825      0.00000
    147       3.3065      0.00000
    148       3.3582      0.00000
    149       3.4230      0.00000
    150       3.5542      0.00000
    151       3.5685      0.00000
    152       3.6533      0.00000
    153       3.6615      0.00000
    154       3.6879      0.00000
    155       3.7178      0.00000
    156       3.9012      0.00000
    157       3.9608      0.00000
    158       4.0430      0.00000
    159       4.0847      0.00000
    160       4.1928      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2800      1.00000
      2     -22.0753      1.00000
      3     -21.7170      1.00000
      4     -21.6778      1.00000
      5     -20.9796      1.00000
      6     -20.9318      1.00000
      7     -20.6080      1.00000
      8     -20.5758      1.00000
      9     -20.5623      1.00000
     10     -20.0288      1.00000
     11     -19.5106      1.00000
     12     -19.4798      1.00000
     13     -19.3085      1.00000
     14     -19.2949      1.00000
     15     -18.4462      1.00000
     16     -18.4031      1.00000
     17     -17.9246      1.00000
     18     -17.9037      1.00000
     19     -17.7625      1.00000
     20     -17.7175      1.00000
     21     -17.4386      1.00000
     22     -17.4196      1.00000
     23     -17.3347      1.00000
     24     -16.4676      1.00000
     25     -16.4580      1.00000
     26     -15.9662      1.00000
     27     -15.4081      1.00000
     28     -15.4068      1.00000
     29     -15.0927      1.00000
     30     -15.0900      1.00000
     31     -14.8503      1.00000
     32     -14.8371      1.00000
     33     -14.2942      1.00000
     34     -14.2499      1.00000
     35     -13.4406      1.00000
     36     -13.3962      1.00000
     37     -13.1723      1.00000
     38     -13.1703      1.00000
     39     -12.9816      1.00000
     40     -12.9724      1.00000
     41     -12.6080      1.00000
     42     -12.6052      1.00000
     43     -12.1925      1.00000
     44     -11.5768      1.00000
     45     -11.5357      1.00000
     46     -11.3105      1.00000
     47     -11.2803      1.00000
     48     -11.1377      1.00000
     49     -10.6899      1.00000
     50     -10.6597      1.00000
     51     -10.5447      1.00000
     52     -10.3183      1.00000
     53     -10.3103      1.00000
     54     -10.1730      1.00000
     55     -10.1181      1.00000
     56     -10.1053      1.00000
     57      -9.8085      1.00000
     58      -9.7483      1.00000
     59      -9.7483      1.00000
     60      -9.6977      1.00000
     61      -9.6944      1.00000
     62      -9.6440      1.00000
     63      -9.3484      1.00000
     64      -9.3471      1.00000
     65      -9.3155      1.00000
     66      -9.0255      1.00000
     67      -8.9575      1.00000
     68      -8.9541      1.00000
     69      -8.7727      1.00000
     70      -8.5894      1.00000
     71      -8.5861      1.00000
     72      -8.4212      1.00000
     73      -8.3468      1.00000
     74      -8.3194      1.00000
     75      -8.2988      1.00000
     76      -8.2624      1.00000
     77      -8.2518      1.00000
     78      -8.2366      1.00000
     79      -7.9193      1.00000
     80      -7.7320      1.00000
     81      -7.3754      1.00000
     82      -7.3449      1.00000
     83      -7.3222      1.00000
     84      -7.2128      1.00000
     85      -7.1575      1.00000
     86      -7.0629      1.00000
     87      -6.9579      1.00000
     88      -6.9028      1.00000
     89      -6.6116      1.00000
     90      -6.5516      1.00000
     91      -6.2693      1.00000
     92      -5.9941      1.00000
     93      -5.9570      1.00000
     94      -5.6728      1.00000
     95      -5.6461      1.00000
     96      -5.3851      1.00000
     97      -5.3128      1.00000
     98      -5.2915      1.00000
     99      -5.2093      1.00000
    100      -5.1977      1.00000
    101      -4.5108      1.00000
    102      -4.3380      1.00000
    103      -3.9943      1.00000
    104      -3.8841      1.00000
    105      -3.7915      1.00000
    106      -3.4418      1.00000
    107      -2.0339      0.00000
    108      -1.8610      0.00000
    109      -1.2162      0.00000
    110      -1.1807      0.00000
    111      -1.0342      0.00000
    112      -0.7706      0.00000
    113      -0.6749      0.00000
    114      -0.6582      0.00000
    115      -0.6069      0.00000
    116      -0.0998      0.00000
    117       0.2252      0.00000
    118       0.2423      0.00000
    119       0.7750      0.00000
    120       0.9885      0.00000
    121       1.0755      0.00000
    122       1.2442      0.00000
    123       1.2529      0.00000
    124       1.3448      0.00000
    125       1.5820      0.00000
    126       1.5863      0.00000
    127       1.7093      0.00000
    128       1.7990      0.00000
    129       1.9534      0.00000
    130       1.9702      0.00000
    131       2.0697      0.00000
    132       2.2811      0.00000
    133       2.3430      0.00000
    134       2.4216      0.00000
    135       2.5508      0.00000
    136       2.6317      0.00000
    137       2.7490      0.00000
    138       2.8125      0.00000
    139       2.8484      0.00000
    140       2.8683      0.00000
    141       3.0471      0.00000
    142       3.1055      0.00000
    143       3.1601      0.00000
    144       3.2241      0.00000
    145       3.3770      0.00000
    146       3.4170      0.00000
    147       3.5082      0.00000
    148       3.5526      0.00000
    149       3.5929      0.00000
    150       3.6116      0.00000
    151       3.6515      0.00000
    152       3.7392      0.00000
    153       3.7493      0.00000
    154       3.7688      0.00000
    155       3.8004      0.00000
    156       3.8760      0.00000
    157       4.0220      0.00000
    158       4.0900      0.00000
    159       4.1734      0.00000
    160       4.2179      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4231      1.00000
      2     -21.6000      1.00000
      3     -21.4782      1.00000
      4     -21.4691      1.00000
      5     -21.4375      1.00000
      6     -21.4368      1.00000
      7     -21.4264      1.00000
      8     -19.7044      1.00000
      9     -19.6492      1.00000
     10     -19.6259      1.00000
     11     -19.6152      1.00000
     12     -19.6101      1.00000
     13     -19.6083      1.00000
     14     -18.7870      1.00000
     15     -18.7510      1.00000
     16     -18.7313      1.00000
     17     -18.7219      1.00000
     18     -18.7144      1.00000
     19     -18.7100      1.00000
     20     -16.6314      1.00000
     21     -16.6056      1.00000
     22     -16.5816      1.00000
     23     -16.5784      1.00000
     24     -16.5509      1.00000
     25     -16.5495      1.00000
     26     -15.6108      1.00000
     27     -15.5996      1.00000
     28     -15.5957      1.00000
     29     -15.5609      1.00000
     30     -15.5594      1.00000
     31     -15.5572      1.00000
     32     -14.2560      1.00000
     33     -14.2467      1.00000
     34     -14.2378      1.00000
     35     -14.2329      1.00000
     36     -14.2184      1.00000
     37     -14.2159      1.00000
     38     -11.9027      1.00000
     39     -11.8760      1.00000
     40     -11.8654      1.00000
     41     -11.8615      1.00000
     42     -11.8410      1.00000
     43     -11.8408      1.00000
     44     -11.7672      1.00000
     45     -11.7653      1.00000
     46     -11.7313      1.00000
     47     -11.7251      1.00000
     48     -11.7221      1.00000
     49     -11.7184      1.00000
     50     -10.6738      1.00000
     51     -10.3845      1.00000
     52     -10.3805      1.00000
     53     -10.3732      1.00000
     54     -10.3645      1.00000
     55     -10.3525      1.00000
     56     -10.3498      1.00000
     57      -9.9019      1.00000
     58      -9.4480      1.00000
     59      -9.4028      1.00000
     60      -9.3597      1.00000
     61      -9.3591      1.00000
     62      -9.3512      1.00000
     63      -9.1384      1.00000
     64      -9.1199      1.00000
     65      -9.1172      1.00000
     66      -9.0821      1.00000
     67      -9.0678      1.00000
     68      -9.0667      1.00000
     69      -9.0658      1.00000
     70      -9.0612      1.00000
     71      -9.0609      1.00000
     72      -9.0348      1.00000
     73      -9.0245      1.00000
     74      -9.0228      1.00000
     75      -8.1285      1.00000
     76      -7.7451      1.00000
     77      -7.4665      1.00000
     78      -7.4625      1.00000
     79      -7.4501      1.00000
     80      -7.4309      1.00000
     81      -7.4207      1.00000
     82      -7.4021      1.00000
     83      -7.3100      1.00000
     84      -7.2686      1.00000
     85      -7.2549      1.00000
     86      -7.2459      1.00000
     87      -7.1482      1.00000
     88      -7.0470      1.00000
     89      -6.4439      1.00000
     90      -6.4131      1.00000
     91      -6.3976      1.00000
     92      -6.3608      1.00000
     93      -6.3505      1.00000
     94      -6.3381      1.00000
     95      -5.9567      1.00000
     96      -5.9532      1.00000
     97      -4.8052      1.00000
     98      -4.5425      1.00000
     99      -4.4791      1.00000
    100      -4.4726      1.00000
    101      -4.3799      1.00000
    102      -4.3793      1.00000
    103      -4.2660      1.00000
    104      -4.1861      1.00000
    105      -3.7378      1.00000
    106      -3.4764      1.00000
    107      -1.8617      0.00000
    108      -1.6680      0.00000
    109      -1.6213      0.00000
    110      -1.5889      0.00000
    111      -1.5735      0.00000
    112      -1.5726      0.00000
    113      -0.4278      0.00000
    114       0.1490      0.00000
    115       0.1931      0.00000
    116       0.2569      0.00000
    117       0.2700      0.00000
    118       0.2735      0.00000
    119       0.4795      0.00000
    120       0.5532      0.00000
    121       1.2519      0.00000
    122       1.2920      0.00000
    123       1.5463      0.00000
    124       1.7757      0.00000
    125       1.7780      0.00000
    126       1.7793      0.00000
    127       1.7840      0.00000
    128       1.8321      0.00000
    129       1.9595      0.00000
    130       1.9717      0.00000
    131       1.9769      0.00000
    132       1.9912      0.00000
    133       1.9983      0.00000
    134       2.0847      0.00000
    135       2.2587      0.00000
    136       2.3461      0.00000
    137       2.6201      0.00000
    138       2.6208      0.00000
    139       2.6502      0.00000
    140       2.7141      0.00000
    141       2.9367      0.00000
    142       3.0376      0.00000
    143       3.0458      0.00000
    144       3.0791      0.00000
    145       3.0805      0.00000
    146       3.0852      0.00000
    147       3.0961      0.00000
    148       3.2819      0.00000
    149       3.4469      0.00000
    150       3.5123      0.00000
    151       3.8230      0.00000
    152       3.9586      0.00000
    153       3.9586      0.00000
    154       3.9610      0.00000
    155       3.9674      0.00000
    156       4.0004      0.00000
    157       4.1893      0.00000
    158       4.2647      0.00000
    159       4.2755      0.00000
    160       4.2865      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3864      1.00000
      2     -21.8273      1.00000
      3     -21.6349      1.00000
      4     -21.6072      1.00000
      5     -21.2714      1.00000
      6     -21.2320      1.00000
      7     -21.0536      1.00000
      8     -20.1645      1.00000
      9     -20.1263      1.00000
     10     -19.6054      1.00000
     11     -19.5940      1.00000
     12     -19.4140      1.00000
     13     -19.0864      1.00000
     14     -19.0570      1.00000
     15     -19.0457      1.00000
     16     -19.0378      1.00000
     17     -18.3575      1.00000
     18     -18.3487      1.00000
     19     -18.0159      1.00000
     20     -17.0660      1.00000
     21     -17.0273      1.00000
     22     -16.9409      1.00000
     23     -16.9365      1.00000
     24     -16.4646      1.00000
     25     -16.4599      1.00000
     26     -15.6100      1.00000
     27     -15.6042      1.00000
     28     -15.2491      1.00000
     29     -15.2400      1.00000
     30     -15.1817      1.00000
     31     -15.0952      1.00000
     32     -15.0677      1.00000
     33     -14.6951      1.00000
     34     -14.6927      1.00000
     35     -13.7233      1.00000
     36     -13.7200      1.00000
     37     -13.2328      1.00000
     38     -12.6115      1.00000
     39     -12.5808      1.00000
     40     -12.4512      1.00000
     41     -12.4469      1.00000
     42     -12.1061      1.00000
     43     -12.1007      1.00000
     44     -11.7132      1.00000
     45     -11.6823      1.00000
     46     -11.2317      1.00000
     47     -11.2229      1.00000
     48     -11.0146      1.00000
     49     -11.0063      1.00000
     50     -10.9226      1.00000
     51     -10.9014      1.00000
     52     -10.6288      1.00000
     53     -10.1522      1.00000
     54     -10.1473      1.00000
     55     -10.0891      1.00000
     56      -9.9962      1.00000
     57      -9.6988      1.00000
     58      -9.6923      1.00000
     59      -9.6529      1.00000
     60      -9.5893      1.00000
     61      -9.5723      1.00000
     62      -9.5560      1.00000
     63      -9.3043      1.00000
     64      -9.2997      1.00000
     65      -9.2713      1.00000
     66      -9.2324      1.00000
     67      -9.1341      1.00000
     68      -9.1128      1.00000
     69      -9.1071      1.00000
     70      -8.9370      1.00000
     71      -8.8679      1.00000
     72      -8.6003      1.00000
     73      -8.5875      1.00000
     74      -8.2347      1.00000
     75      -8.0980      1.00000
     76      -7.9112      1.00000
     77      -7.8596      1.00000
     78      -7.7691      1.00000
     79      -7.7531      1.00000
     80      -7.6900      1.00000
     81      -7.5591      1.00000
     82      -7.3365      1.00000
     83      -7.3190      1.00000
     84      -7.2020      1.00000
     85      -7.1208      1.00000
     86      -7.0296      1.00000
     87      -7.0080      1.00000
     88      -6.7020      1.00000
     89      -6.6754      1.00000
     90      -6.6383      1.00000
     91      -6.5954      1.00000
     92      -6.1135      1.00000
     93      -6.0592      1.00000
     94      -6.0274      1.00000
     95      -6.0088      1.00000
     96      -5.7807      1.00000
     97      -4.9726      1.00000
     98      -4.8299      1.00000
     99      -4.7445      1.00000
    100      -4.6771      1.00000
    101      -4.4678      1.00000
    102      -4.2025      1.00000
    103      -4.1700      1.00000
    104      -4.1257      1.00000
    105      -3.7281      1.00000
    106      -3.4866      1.00000
    107      -1.8690      0.00000
    108      -1.8062      0.00000
    109      -1.5229      0.00000
    110      -1.3745      0.00000
    111      -1.3197      0.00000
    112      -1.2857      0.00000
    113      -0.7186      0.00000
    114      -0.3745      0.00000
    115      -0.2471      0.00000
    116       0.0389      0.00000
    117       0.5605      0.00000
    118       0.7016      0.00000
    119       0.7483      0.00000
    120       1.0502      0.00000
    121       1.1014      0.00000
    122       1.1528      0.00000
    123       1.2294      0.00000
    124       1.3812      0.00000
    125       1.5290      0.00000
    126       1.5917      0.00000
    127       1.7177      0.00000
    128       1.8056      0.00000
    129       1.8589      0.00000
    130       1.8842      0.00000
    131       2.0988      0.00000
    132       2.1939      0.00000
    133       2.2452      0.00000
    134       2.3117      0.00000
    135       2.5190      0.00000
    136       2.5966      0.00000
    137       2.6251      0.00000
    138       2.7817      0.00000
    139       2.7947      0.00000
    140       2.8263      0.00000
    141       2.8435      0.00000
    142       2.9038      0.00000
    143       2.9347      0.00000
    144       3.0899      0.00000
    145       3.1587      0.00000
    146       3.3172      0.00000
    147       3.3684      0.00000
    148       3.4151      0.00000
    149       3.4694      0.00000
    150       3.6120      0.00000
    151       3.6447      0.00000
    152       3.6644      0.00000
    153       3.7124      0.00000
    154       3.9143      0.00000
    155       3.9617      0.00000
    156       4.0208      0.00000
    157       4.0690      0.00000
    158       4.2394      0.00000
    159       4.2534      0.00000
    160       4.2777      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2804      1.00000
      2     -22.0748      1.00000
      3     -21.7134      1.00000
      4     -21.6816      1.00000
      5     -20.9762      1.00000
      6     -20.9356      1.00000
      7     -20.6087      1.00000
      8     -20.5719      1.00000
      9     -20.5658      1.00000
     10     -20.0295      1.00000
     11     -19.5002      1.00000
     12     -19.4882      1.00000
     13     -19.3037      1.00000
     14     -19.2980      1.00000
     15     -18.4445      1.00000
     16     -18.4078      1.00000
     17     -17.9193      1.00000
     18     -17.9094      1.00000
     19     -17.7584      1.00000
     20     -17.7227      1.00000
     21     -17.4328      1.00000
     22     -17.4250      1.00000
     23     -17.3378      1.00000
     24     -16.4594      1.00000
     25     -16.4584      1.00000
     26     -15.9639      1.00000
     27     -15.4103      1.00000
     28     -15.4056      1.00000
     29     -15.0928      1.00000
     30     -15.0898      1.00000
     31     -14.8519      1.00000
     32     -14.8437      1.00000
     33     -14.2876      1.00000
     34     -14.2542      1.00000
     35     -13.4340      1.00000
     36     -13.4009      1.00000
     37     -13.1743      1.00000
     38     -13.1702      1.00000
     39     -12.9785      1.00000
     40     -12.9734      1.00000
     41     -12.6100      1.00000
     42     -12.6058      1.00000
     43     -12.1949      1.00000
     44     -11.5724      1.00000
     45     -11.5387      1.00000
     46     -11.3065      1.00000
     47     -11.2839      1.00000
     48     -11.1392      1.00000
     49     -10.6725      1.00000
     50     -10.6578      1.00000
     51     -10.5508      1.00000
     52     -10.3209      1.00000
     53     -10.3138      1.00000
     54     -10.1666      1.00000
     55     -10.1123      1.00000
     56     -10.1088      1.00000
     57      -9.7954      1.00000
     58      -9.7626      1.00000
     59      -9.7480      1.00000
     60      -9.6959      1.00000
     61      -9.6944      1.00000
     62      -9.6594      1.00000
     63      -9.3521      1.00000
     64      -9.3472      1.00000
     65      -9.3112      1.00000
     66      -9.0386      1.00000
     67      -8.9596      1.00000
     68      -8.9455      1.00000
     69      -8.7970      1.00000
     70      -8.5910      1.00000
     71      -8.5550      1.00000
     72      -8.3958      1.00000
     73      -8.3624      1.00000
     74      -8.3207      1.00000
     75      -8.3038      1.00000
     76      -8.2550      1.00000
     77      -8.2536      1.00000
     78      -8.2321      1.00000
     79      -7.9026      1.00000
     80      -7.6495      1.00000
     81      -7.5479      1.00000
     82      -7.3842      1.00000
     83      -7.3460      1.00000
     84      -7.2283      1.00000
     85      -7.0940      1.00000
     86      -7.0360      1.00000
     87      -6.9314      1.00000
     88      -6.8458      1.00000
     89      -6.6083      1.00000
     90      -6.5562      1.00000
     91      -6.2655      1.00000
     92      -6.0414      1.00000
     93      -5.9491      1.00000
     94      -5.6602      1.00000
     95      -5.6202      1.00000
     96      -5.4609      1.00000
     97      -5.3176      1.00000
     98      -5.2762      1.00000
     99      -5.2113      1.00000
    100      -5.1914      1.00000
    101      -4.5079      1.00000
    102      -4.2069      1.00000
    103      -4.0577      1.00000
    104      -3.9867      1.00000
    105      -3.6928      1.00000
    106      -3.4969      1.00000
    107      -1.9440      0.00000
    108      -1.8940      0.00000
    109      -1.3380      0.00000
    110      -1.0831      0.00000
    111      -1.0552      0.00000
    112      -0.7988      0.00000
    113      -0.6747      0.00000
    114      -0.6453      0.00000
    115      -0.6050      0.00000
    116      -0.1064      0.00000
    117       0.2176      0.00000
    118       0.3311      0.00000
    119       0.6988      0.00000
    120       0.8921      0.00000
    121       1.1302      0.00000
    122       1.2013      0.00000
    123       1.3305      0.00000
    124       1.4264      0.00000
    125       1.5577      0.00000
    126       1.5785      0.00000
    127       1.6868      0.00000
    128       1.8079      0.00000
    129       1.8879      0.00000
    130       2.0600      0.00000
    131       2.1115      0.00000
    132       2.3167      0.00000
    133       2.3574      0.00000
    134       2.4018      0.00000
    135       2.5544      0.00000
    136       2.6337      0.00000
    137       2.7318      0.00000
    138       2.7431      0.00000
    139       2.8098      0.00000
    140       2.8835      0.00000
    141       3.0499      0.00000
    142       3.0606      0.00000
    143       3.1694      0.00000
    144       3.2684      0.00000
    145       3.3651      0.00000
    146       3.4191      0.00000
    147       3.4373      0.00000
    148       3.5670      0.00000
    149       3.5856      0.00000
    150       3.6022      0.00000
    151       3.6619      0.00000
    152       3.6790      0.00000
    153       3.7761      0.00000
    154       3.7916      0.00000
    155       3.8026      0.00000
    156       3.8938      0.00000
    157       3.9271      0.00000
    158       3.9953      0.00000
    159       4.2165      0.00000
    160       4.2281      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3144      1.00000
      2     -21.9597      1.00000
      3     -21.8904      1.00000
      4     -21.3777      1.00000
      5     -21.3484      1.00000
      6     -20.8366      1.00000
      7     -20.7712      1.00000
      8     -20.6210      1.00000
      9     -20.0742      1.00000
     10     -20.0687      1.00000
     11     -19.7137      1.00000
     12     -19.6891      1.00000
     13     -18.9930      1.00000
     14     -18.9875      1.00000
     15     -18.6372      1.00000
     16     -18.6213      1.00000
     17     -18.4591      1.00000
     18     -17.6723      1.00000
     19     -17.6219      1.00000
     20     -17.6191      1.00000
     21     -17.5772      1.00000
     22     -17.1233      1.00000
     23     -17.1016      1.00000
     24     -16.9587      1.00000
     25     -15.9986      1.00000
     26     -15.9253      1.00000
     27     -15.5826      1.00000
     28     -15.5824      1.00000
     29     -15.2831      1.00000
     30     -14.8611      1.00000
     31     -14.8336      1.00000
     32     -14.5761      1.00000
     33     -14.5341      1.00000
     34     -14.1644      1.00000
     35     -14.1511      1.00000
     36     -13.1454      1.00000
     37     -13.0977      1.00000
     38     -13.0268      1.00000
     39     -13.0165      1.00000
     40     -12.7061      1.00000
     41     -12.7022      1.00000
     42     -12.3377      1.00000
     43     -12.3064      1.00000
     44     -11.6320      1.00000
     45     -11.6182      1.00000
     46     -11.5676      1.00000
     47     -10.9454      1.00000
     48     -10.9124      1.00000
     49     -10.6301      1.00000
     50     -10.6220      1.00000
     51     -10.5448      1.00000
     52     -10.4956      1.00000
     53     -10.4955      1.00000
     54     -10.4373      1.00000
     55     -10.3580      1.00000
     56     -10.0970      1.00000
     57      -9.9009      1.00000
     58      -9.6065      1.00000
     59      -9.5538      1.00000
     60      -9.4494      1.00000
     61      -9.4080      1.00000
     62      -9.4018      1.00000
     63      -9.3747      1.00000
     64      -9.3745      1.00000
     65      -9.2848      1.00000
     66      -9.1644      1.00000
     67      -9.1390      1.00000
     68      -9.1100      1.00000
     69      -8.8606      1.00000
     70      -8.8530      1.00000
     71      -8.8128      1.00000
     72      -8.5944      1.00000
     73      -8.4776      1.00000
     74      -8.1946      1.00000
     75      -8.1592      1.00000
     76      -8.0066      1.00000
     77      -7.9623      1.00000
     78      -7.8487      1.00000
     79      -7.8379      1.00000
     80      -7.7012      1.00000
     81      -7.6940      1.00000
     82      -7.6197      1.00000
     83      -7.4466      1.00000
     84      -7.2982      1.00000
     85      -7.2515      1.00000
     86      -6.9026      1.00000
     87      -6.8888      1.00000
     88      -6.5860      1.00000
     89      -6.5487      1.00000
     90      -6.4046      1.00000
     91      -6.2510      1.00000
     92      -6.2303      1.00000
     93      -6.2003      1.00000
     94      -6.0205      1.00000
     95      -5.5475      1.00000
     96      -5.4865      1.00000
     97      -5.3481      1.00000
     98      -5.2171      1.00000
     99      -4.9772      1.00000
    100      -4.7308      1.00000
    101      -4.6757      1.00000
    102      -4.3862      1.00000
    103      -4.2022      1.00000
    104      -3.8697      1.00000
    105      -3.5445      1.00000
    106      -3.5091      1.00000
    107      -2.2534      0.00000
    108      -1.4560      0.00000
    109      -1.3681      0.00000
    110      -1.2394      0.00000
    111      -1.0961      0.00000
    112      -0.9435      0.00000
    113      -0.8620      0.00000
    114      -0.8016      0.00000
    115      -0.1378      0.00000
    116       0.1144      0.00000
    117       0.2433      0.00000
    118       0.3798      0.00000
    119       0.6564      0.00000
    120       0.8379      0.00000
    121       0.9385      0.00000
    122       1.0679      0.00000
    123       1.2384      0.00000
    124       1.4521      0.00000
    125       1.5578      0.00000
    126       1.7678      0.00000
    127       1.7949      0.00000
    128       1.8704      0.00000
    129       1.9778      0.00000
    130       2.0434      0.00000
    131       2.1839      0.00000
    132       2.1905      0.00000
    133       2.4147      0.00000
    134       2.4415      0.00000
    135       2.5184      0.00000
    136       2.6066      0.00000
    137       2.6373      0.00000
    138       2.7007      0.00000
    139       2.7800      0.00000
    140       2.8412      0.00000
    141       2.9554      0.00000
    142       3.0862      0.00000
    143       3.1960      0.00000
    144       3.2057      0.00000
    145       3.2461      0.00000
    146       3.3247      0.00000
    147       3.3278      0.00000
    148       3.4704      0.00000
    149       3.5071      0.00000
    150       3.6998      0.00000
    151       3.7155      0.00000
    152       3.7284      0.00000
    153       3.8627      0.00000
    154       3.9091      0.00000
    155       3.9499      0.00000
    156       3.9833      0.00000
    157       4.0034      0.00000
    158       4.0362      0.00000
    159       4.0538      0.00000
    160       4.0617      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2074      1.00000
      2     -22.1143      1.00000
      3     -21.9536      1.00000
      4     -21.4012      1.00000
      5     -21.0467      1.00000
      6     -21.0107      1.00000
      7     -20.4976      1.00000
      8     -20.4580      1.00000
      9     -20.2918      1.00000
     10     -20.2725      1.00000
     11     -19.9544      1.00000
     12     -19.8885      1.00000
     13     -18.8793      1.00000
     14     -18.8105      1.00000
     15     -18.3499      1.00000
     16     -18.3035      1.00000
     17     -18.1498      1.00000
     18     -18.1327      1.00000
     19     -17.8236      1.00000
     20     -17.7861      1.00000
     21     -17.2488      1.00000
     22     -17.2385      1.00000
     23     -17.1617      1.00000
     24     -17.1297      1.00000
     25     -16.1071      1.00000
     26     -15.8819      1.00000
     27     -15.8671      1.00000
     28     -15.8308      1.00000
     29     -15.2334      1.00000
     30     -14.5517      1.00000
     31     -14.5238      1.00000
     32     -14.2770      1.00000
     33     -13.9611      1.00000
     34     -13.9534      1.00000
     35     -13.8174      1.00000
     36     -13.8015      1.00000
     37     -13.6113      1.00000
     38     -13.5675      1.00000
     39     -13.3665      1.00000
     40     -12.6313      1.00000
     41     -12.1776      1.00000
     42     -12.1296      1.00000
     43     -12.0683      1.00000
     44     -12.0160      1.00000
     45     -11.6670      1.00000
     46     -11.6535      1.00000
     47     -11.1355      1.00000
     48     -11.1150      1.00000
     49     -10.7908      1.00000
     50     -10.7272      1.00000
     51     -10.5269      1.00000
     52     -10.2065      1.00000
     53     -10.2018      1.00000
     54     -10.1620      1.00000
     55     -10.0149      1.00000
     56     -10.0016      1.00000
     57      -9.9874      1.00000
     58      -9.7982      1.00000
     59      -9.7945      1.00000
     60      -9.7593      1.00000
     61      -9.7543      1.00000
     62      -9.4506      1.00000
     63      -9.4149      1.00000
     64      -9.0778      1.00000
     65      -9.0698      1.00000
     66      -9.0376      1.00000
     67      -8.9518      1.00000
     68      -8.8747      1.00000
     69      -8.7092      1.00000
     70      -8.6968      1.00000
     71      -8.5621      1.00000
     72      -8.5390      1.00000
     73      -8.4966      1.00000
     74      -8.4601      1.00000
     75      -8.4494      1.00000
     76      -8.2580      1.00000
     77      -8.1231      1.00000
     78      -8.0409      1.00000
     79      -7.9130      1.00000
     80      -7.8611      1.00000
     81      -7.6125      1.00000
     82      -7.5454      1.00000
     83      -7.4874      1.00000
     84      -7.2666      1.00000
     85      -6.9929      1.00000
     86      -6.9203      1.00000
     87      -6.8795      1.00000
     88      -6.5285      1.00000
     89      -6.4833      1.00000
     90      -6.4586      1.00000
     91      -6.4076      1.00000
     92      -5.9816      1.00000
     93      -5.8950      1.00000
     94      -5.7820      1.00000
     95      -5.7571      1.00000
     96      -5.4297      1.00000
     97      -5.3271      1.00000
     98      -5.2275      1.00000
     99      -5.2152      1.00000
    100      -5.1861      1.00000
    101      -4.6903      1.00000
    102      -4.4205      1.00000
    103      -4.2088      1.00000
    104      -3.8330      1.00000
    105      -3.5282      1.00000
    106      -3.2721      1.00000
    107      -2.5287      0.00000
    108      -1.4573      0.00000
    109      -1.2639      0.00000
    110      -1.2008      0.00000
    111      -1.1700      0.00000
    112      -0.7184      0.00000
    113      -0.5015      0.00000
    114      -0.4100      0.00000
    115      -0.3369      0.00000
    116      -0.1442      0.00000
    117      -0.0010      0.00000
    118       0.1960      0.00000
    119       0.5641      0.00000
    120       0.6145      0.00000
    121       0.8002      0.00000
    122       0.9122      0.00000
    123       1.1376      0.00000
    124       1.5002      0.00000
    125       1.6387      0.00000
    126       1.8633      0.00000
    127       1.9318      0.00000
    128       2.1101      0.00000
    129       2.1221      0.00000
    130       2.1326      0.00000
    131       2.1798      0.00000
    132       2.2818      0.00000
    133       2.3316      0.00000
    134       2.4614      0.00000
    135       2.5801      0.00000
    136       2.6624      0.00000
    137       2.8588      0.00000
    138       2.8734      0.00000
    139       2.8978      0.00000
    140       3.0169      0.00000
    141       3.0282      0.00000
    142       3.1454      0.00000
    143       3.1668      0.00000
    144       3.2337      0.00000
    145       3.2757      0.00000
    146       3.2888      0.00000
    147       3.3040      0.00000
    148       3.3502      0.00000
    149       3.4282      0.00000
    150       3.4475      0.00000
    151       3.5577      0.00000
    152       3.6219      0.00000
    153       3.6915      0.00000
    154       3.7192      0.00000
    155       3.7797      0.00000
    156       3.8987      0.00000
    157       3.9417      0.00000
    158       4.0098      0.00000
    159       4.1408      0.00000
    160       4.2304      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3142      1.00000
      2     -21.9612      1.00000
      3     -21.8890      1.00000
      4     -21.3815      1.00000
      5     -21.3450      1.00000
      6     -20.8363      1.00000
      7     -20.7698      1.00000
      8     -20.6217      1.00000
      9     -20.0864      1.00000
     10     -20.0577      1.00000
     11     -19.7153      1.00000
     12     -19.6864      1.00000
     13     -19.0066      1.00000
     14     -18.9755      1.00000
     15     -18.6466      1.00000
     16     -18.6140      1.00000
     17     -18.4573      1.00000
     18     -17.6575      1.00000
     19     -17.6432      1.00000
     20     -17.6072      1.00000
     21     -17.5746      1.00000
     22     -17.1341      1.00000
     23     -17.0942      1.00000
     24     -16.9627      1.00000
     25     -16.0051      1.00000
     26     -15.9200      1.00000
     27     -15.5954      1.00000
     28     -15.5719      1.00000
     29     -15.2767      1.00000
     30     -14.8734      1.00000
     31     -14.8263      1.00000
     32     -14.5712      1.00000
     33     -14.5335      1.00000
     34     -14.1609      1.00000
     35     -14.1567      1.00000
     36     -13.1590      1.00000
     37     -13.0921      1.00000
     38     -13.0195      1.00000
     39     -13.0150      1.00000
     40     -12.7144      1.00000
     41     -12.6912      1.00000
     42     -12.3373      1.00000
     43     -12.3101      1.00000
     44     -11.6286      1.00000
     45     -11.6195      1.00000
     46     -11.5669      1.00000
     47     -10.9376      1.00000
     48     -10.9196      1.00000
     49     -10.6661      1.00000
     50     -10.5861      1.00000
     51     -10.5703      1.00000
     52     -10.4980      1.00000
     53     -10.4854      1.00000
     54     -10.4354      1.00000
     55     -10.3522      1.00000
     56     -10.1014      1.00000
     57      -9.8951      1.00000
     58      -9.6046      1.00000
     59      -9.5474      1.00000
     60      -9.4515      1.00000
     61      -9.4155      1.00000
     62      -9.4056      1.00000
     63      -9.3756      1.00000
     64      -9.3682      1.00000
     65      -9.2649      1.00000
     66      -9.1624      1.00000
     67      -9.1382      1.00000
     68      -9.1127      1.00000
     69      -8.8629      1.00000
     70      -8.8567      1.00000
     71      -8.8000      1.00000
     72      -8.5939      1.00000
     73      -8.5244      1.00000
     74      -8.1900      1.00000
     75      -8.1672      1.00000
     76      -8.0737      1.00000
     77      -7.8540      1.00000
     78      -7.8338      1.00000
     79      -7.8205      1.00000
     80      -7.7073      1.00000
     81      -7.6924      1.00000
     82      -7.5950      1.00000
     83      -7.5283      1.00000
     84      -7.3478      1.00000
     85      -7.1659      1.00000
     86      -6.9023      1.00000
     87      -6.8920      1.00000
     88      -6.5901      1.00000
     89      -6.5489      1.00000
     90      -6.4019      1.00000
     91      -6.2997      1.00000
     92      -6.2449      1.00000
     93      -6.1983      1.00000
     94      -6.0016      1.00000
     95      -5.5295      1.00000
     96      -5.4629      1.00000
     97      -5.3117      1.00000
     98      -5.2070      1.00000
     99      -5.0447      1.00000
    100      -4.7214      1.00000
    101      -4.6695      1.00000
    102      -4.4229      1.00000
    103      -4.1938      1.00000
    104      -3.8416      1.00000
    105      -3.6330      1.00000
    106      -3.4144      1.00000
    107      -2.2909      0.00000
    108      -1.5083      0.00000
    109      -1.2679      0.00000
    110      -1.2602      0.00000
    111      -1.0324      0.00000
    112      -0.9746      0.00000
    113      -0.8659      0.00000
    114      -0.7974      0.00000
    115      -0.2602      0.00000
    116       0.2060      0.00000
    117       0.2415      0.00000
    118       0.3623      0.00000
    119       0.6957      0.00000
    120       0.8967      0.00000
    121       0.9259      0.00000
    122       1.0442      0.00000
    123       1.1716      0.00000
    124       1.5142      0.00000
    125       1.5656      0.00000
    126       1.7158      0.00000
    127       1.7810      0.00000
    128       1.8341      0.00000
    129       1.9576      0.00000
    130       1.9923      0.00000
    131       2.1803      0.00000
    132       2.2700      0.00000
    133       2.4226      0.00000
    134       2.4466      0.00000
    135       2.5138      0.00000
    136       2.6026      0.00000
    137       2.6202      0.00000
    138       2.7044      0.00000
    139       2.7594      0.00000
    140       2.8700      0.00000
    141       3.0416      0.00000
    142       3.0847      0.00000
    143       3.1830      0.00000
    144       3.2390      0.00000
    145       3.2463      0.00000
    146       3.2972      0.00000
    147       3.3553      0.00000
    148       3.4563      0.00000
    149       3.5269      0.00000
    150       3.6957      0.00000
    151       3.7197      0.00000
    152       3.7500      0.00000
    153       3.8342      0.00000
    154       3.8874      0.00000
    155       3.9368      0.00000
    156       3.9810      0.00000
    157       4.0098      0.00000
    158       4.0276      0.00000
    159       4.0453      0.00000
    160       4.0803      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3864      1.00000
      2     -21.8276      1.00000
      3     -21.6382      1.00000
      4     -21.6032      1.00000
      5     -21.2756      1.00000
      6     -21.2285      1.00000
      7     -21.0531      1.00000
      8     -20.1682      1.00000
      9     -20.1220      1.00000
     10     -19.6142      1.00000
     11     -19.5873      1.00000
     12     -19.4122      1.00000
     13     -19.0915      1.00000
     14     -19.0529      1.00000
     15     -19.0484      1.00000
     16     -19.0351      1.00000
     17     -18.3639      1.00000
     18     -18.3435      1.00000
     19     -18.0131      1.00000
     20     -17.0690      1.00000
     21     -17.0202      1.00000
     22     -16.9465      1.00000
     23     -16.9324      1.00000
     24     -16.4715      1.00000
     25     -16.4601      1.00000
     26     -15.6064      1.00000
     27     -15.6060      1.00000
     28     -15.2470      1.00000
     29     -15.2342      1.00000
     30     -15.1875      1.00000
     31     -15.0977      1.00000
     32     -15.0641      1.00000
     33     -14.6955      1.00000
     34     -14.6940      1.00000
     35     -13.7222      1.00000
     36     -13.7215      1.00000
     37     -13.2311      1.00000
     38     -12.6208      1.00000
     39     -12.5760      1.00000
     40     -12.4509      1.00000
     41     -12.4452      1.00000
     42     -12.1025      1.00000
     43     -12.0968      1.00000
     44     -11.7189      1.00000
     45     -11.6803      1.00000
     46     -11.2424      1.00000
     47     -11.2211      1.00000
     48     -11.0137      1.00000
     49     -11.0017      1.00000
     50     -10.9247      1.00000
     51     -10.8961      1.00000
     52     -10.6349      1.00000
     53     -10.1683      1.00000
     54     -10.1454      1.00000
     55     -10.0802      1.00000
     56      -9.9896      1.00000
     57      -9.6926      1.00000
     58      -9.6864      1.00000
     59      -9.6676      1.00000
     60      -9.5883      1.00000
     61      -9.5648      1.00000
     62      -9.5510      1.00000
     63      -9.3090      1.00000
     64      -9.2959      1.00000
     65      -9.2803      1.00000
     66      -9.2405      1.00000
     67      -9.1194      1.00000
     68      -9.1082      1.00000
     69      -9.1069      1.00000
     70      -8.9369      1.00000
     71      -8.8730      1.00000
     72      -8.6019      1.00000
     73      -8.5839      1.00000
     74      -8.2693      1.00000
     75      -8.0968      1.00000
     76      -7.8654      1.00000
     77      -7.8409      1.00000
     78      -7.7886      1.00000
     79      -7.7614      1.00000
     80      -7.7513      1.00000
     81      -7.4459      1.00000
     82      -7.3308      1.00000
     83      -7.3184      1.00000
     84      -7.2634      1.00000
     85      -7.1602      1.00000
     86      -7.0129      1.00000
     87      -6.9839      1.00000
     88      -6.7149      1.00000
     89      -6.6882      1.00000
     90      -6.6291      1.00000
     91      -6.5881      1.00000
     92      -6.1128      1.00000
     93      -6.0567      1.00000
     94      -6.0420      1.00000
     95      -6.0265      1.00000
     96      -5.7455      1.00000
     97      -4.9729      1.00000
     98      -4.8373      1.00000
     99      -4.7065      1.00000
    100      -4.6713      1.00000
    101      -4.4824      1.00000
    102      -4.3512      1.00000
    103      -4.1096      1.00000
    104      -4.0538      1.00000
    105      -3.7536      1.00000
    106      -3.4641      1.00000
    107      -1.9501      0.00000
    108      -1.7689      0.00000
    109      -1.4779      0.00000
    110      -1.3535      0.00000
    111      -1.3334      0.00000
    112      -1.2895      0.00000
    113      -0.6758      0.00000
    114      -0.4702      0.00000
    115      -0.2342      0.00000
    116       0.0536      0.00000
    117       0.5928      0.00000
    118       0.6935      0.00000
    119       0.7720      0.00000
    120       1.0259      0.00000
    121       1.0993      0.00000
    122       1.1793      0.00000
    123       1.2524      0.00000
    124       1.3387      0.00000
    125       1.4386      0.00000
    126       1.6088      0.00000
    127       1.7558      0.00000
    128       1.8455      0.00000
    129       1.8598      0.00000
    130       1.8907      0.00000
    131       2.0439      0.00000
    132       2.2217      0.00000
    133       2.2404      0.00000
    134       2.2925      0.00000
    135       2.4831      0.00000
    136       2.6167      0.00000
    137       2.6356      0.00000
    138       2.7618      0.00000
    139       2.7898      0.00000
    140       2.8383      0.00000
    141       2.8507      0.00000
    142       2.8542      0.00000
    143       2.9360      0.00000
    144       3.0950      0.00000
    145       3.3149      0.00000
    146       3.3479      0.00000
    147       3.3927      0.00000
    148       3.4130      0.00000
    149       3.4256      0.00000
    150       3.5964      0.00000
    151       3.6404      0.00000
    152       3.6781      0.00000
    153       3.7336      0.00000
    154       3.8983      0.00000
    155       3.9276      0.00000
    156       3.9555      0.00000
    157       4.1076      0.00000
    158       4.2069      0.00000
    159       4.2571      0.00000
    160       4.2855      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2065      1.00000
      2     -22.1157      1.00000
      3     -21.9534      1.00000
      4     -21.4014      1.00000
      5     -21.0428      1.00000
      6     -21.0145      1.00000
      7     -20.4927      1.00000
      8     -20.4629      1.00000
      9     -20.2828      1.00000
     10     -20.2808      1.00000
     11     -19.9535      1.00000
     12     -19.8903      1.00000
     13     -18.8803      1.00000
     14     -18.8126      1.00000
     15     -18.3345      1.00000
     16     -18.3149      1.00000
     17     -18.1458      1.00000
     18     -18.1382      1.00000
     19     -17.8125      1.00000
     20     -17.7941      1.00000
     21     -17.2548      1.00000
     22     -17.2353      1.00000
     23     -17.1568      1.00000
     24     -17.1324      1.00000
     25     -16.1123      1.00000
     26     -15.8775      1.00000
     27     -15.8663      1.00000
     28     -15.8371      1.00000
     29     -15.2277      1.00000
     30     -14.5479      1.00000
     31     -14.5296      1.00000
     32     -14.2725      1.00000
     33     -13.9711      1.00000
     34     -13.9473      1.00000
     35     -13.8208      1.00000
     36     -13.7989      1.00000
     37     -13.6010      1.00000
     38     -13.5755      1.00000
     39     -13.3663      1.00000
     40     -12.6346      1.00000
     41     -12.1660      1.00000
     42     -12.1393      1.00000
     43     -12.0650      1.00000
     44     -12.0181      1.00000
     45     -11.6606      1.00000
     46     -11.6560      1.00000
     47     -11.1337      1.00000
     48     -11.1228      1.00000
     49     -10.7879      1.00000
     50     -10.7315      1.00000
     51     -10.5337      1.00000
     52     -10.2042      1.00000
     53     -10.1982      1.00000
     54     -10.1677      1.00000
     55     -10.0190      1.00000
     56      -9.9913      1.00000
     57      -9.9861      1.00000
     58      -9.8012      1.00000
     59      -9.7918      1.00000
     60      -9.7608      1.00000
     61      -9.7535      1.00000
     62      -9.4519      1.00000
     63      -9.4149      1.00000
     64      -9.0810      1.00000
     65      -9.0418      1.00000
     66      -9.0227      1.00000
     67      -8.9675      1.00000
     68      -8.8952      1.00000
     69      -8.7040      1.00000
     70      -8.6951      1.00000
     71      -8.5576      1.00000
     72      -8.5469      1.00000
     73      -8.4753      1.00000
     74      -8.4561      1.00000
     75      -8.4535      1.00000
     76      -8.3062      1.00000
     77      -8.0925      1.00000
     78      -8.0867      1.00000
     79      -7.9222      1.00000
     80      -7.8292      1.00000
     81      -7.5984      1.00000
     82      -7.5350      1.00000
     83      -7.4414      1.00000
     84      -7.3134      1.00000
     85      -6.9892      1.00000
     86      -6.9148      1.00000
     87      -6.8773      1.00000
     88      -6.5257      1.00000
     89      -6.5125      1.00000
     90      -6.4785      1.00000
     91      -6.4180      1.00000
     92      -5.9245      1.00000
     93      -5.9032      1.00000
     94      -5.7864      1.00000
     95      -5.7721      1.00000
     96      -5.3673      1.00000
     97      -5.3604      1.00000
     98      -5.2181      1.00000
     99      -5.2129      1.00000
    100      -5.1960      1.00000
    101      -4.7184      1.00000
    102      -4.4416      1.00000
    103      -4.1899      1.00000
    104      -3.8194      1.00000
    105      -3.5645      1.00000
    106      -3.2188      1.00000
    107      -2.5610      0.00000
    108      -1.4624      0.00000
    109      -1.2639      0.00000
    110      -1.1834      0.00000
    111      -1.1820      0.00000
    112      -0.6431      0.00000
    113      -0.5490      0.00000
    114      -0.4130      0.00000
    115      -0.3455      0.00000
    116      -0.0752      0.00000
    117      -0.0605      0.00000
    118       0.1284      0.00000
    119       0.5946      0.00000
    120       0.6283      0.00000
    121       0.8600      0.00000
    122       0.9910      0.00000
    123       1.0075      0.00000
    124       1.4982      0.00000
    125       1.6874      0.00000
    126       1.7756      0.00000
    127       1.8689      0.00000
    128       2.1212      0.00000
    129       2.1276      0.00000
    130       2.1827      0.00000
    131       2.2115      0.00000
    132       2.2548      0.00000
    133       2.3465      0.00000
    134       2.4989      0.00000
    135       2.5006      0.00000
    136       2.6717      0.00000
    137       2.8548      0.00000
    138       2.8620      0.00000
    139       2.9582      0.00000
    140       3.0050      0.00000
    141       3.0432      0.00000
    142       3.1400      0.00000
    143       3.1779      0.00000
    144       3.2493      0.00000
    145       3.2521      0.00000
    146       3.2825      0.00000
    147       3.3065      0.00000
    148       3.3582      0.00000
    149       3.4230      0.00000
    150       3.5542      0.00000
    151       3.5685      0.00000
    152       3.6533      0.00000
    153       3.6615      0.00000
    154       3.6879      0.00000
    155       3.7178      0.00000
    156       3.9012      0.00000
    157       3.9608      0.00000
    158       4.0430      0.00000
    159       4.0847      0.00000
    160       4.1928      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2800      1.00000
      2     -22.0753      1.00000
      3     -21.7170      1.00000
      4     -21.6778      1.00000
      5     -20.9796      1.00000
      6     -20.9318      1.00000
      7     -20.6080      1.00000
      8     -20.5758      1.00000
      9     -20.5623      1.00000
     10     -20.0288      1.00000
     11     -19.5106      1.00000
     12     -19.4798      1.00000
     13     -19.3085      1.00000
     14     -19.2949      1.00000
     15     -18.4462      1.00000
     16     -18.4031      1.00000
     17     -17.9246      1.00000
     18     -17.9037      1.00000
     19     -17.7625      1.00000
     20     -17.7175      1.00000
     21     -17.4386      1.00000
     22     -17.4196      1.00000
     23     -17.3347      1.00000
     24     -16.4676      1.00000
     25     -16.4580      1.00000
     26     -15.9662      1.00000
     27     -15.4081      1.00000
     28     -15.4068      1.00000
     29     -15.0927      1.00000
     30     -15.0900      1.00000
     31     -14.8503      1.00000
     32     -14.8371      1.00000
     33     -14.2942      1.00000
     34     -14.2499      1.00000
     35     -13.4406      1.00000
     36     -13.3962      1.00000
     37     -13.1723      1.00000
     38     -13.1703      1.00000
     39     -12.9816      1.00000
     40     -12.9724      1.00000
     41     -12.6080      1.00000
     42     -12.6052      1.00000
     43     -12.1925      1.00000
     44     -11.5768      1.00000
     45     -11.5357      1.00000
     46     -11.3105      1.00000
     47     -11.2803      1.00000
     48     -11.1377      1.00000
     49     -10.6899      1.00000
     50     -10.6597      1.00000
     51     -10.5447      1.00000
     52     -10.3183      1.00000
     53     -10.3103      1.00000
     54     -10.1730      1.00000
     55     -10.1181      1.00000
     56     -10.1053      1.00000
     57      -9.8085      1.00000
     58      -9.7483      1.00000
     59      -9.7483      1.00000
     60      -9.6977      1.00000
     61      -9.6944      1.00000
     62      -9.6440      1.00000
     63      -9.3484      1.00000
     64      -9.3471      1.00000
     65      -9.3155      1.00000
     66      -9.0255      1.00000
     67      -8.9575      1.00000
     68      -8.9541      1.00000
     69      -8.7727      1.00000
     70      -8.5894      1.00000
     71      -8.5861      1.00000
     72      -8.4212      1.00000
     73      -8.3468      1.00000
     74      -8.3194      1.00000
     75      -8.2988      1.00000
     76      -8.2624      1.00000
     77      -8.2518      1.00000
     78      -8.2366      1.00000
     79      -7.9193      1.00000
     80      -7.7320      1.00000
     81      -7.3754      1.00000
     82      -7.3449      1.00000
     83      -7.3222      1.00000
     84      -7.2128      1.00000
     85      -7.1575      1.00000
     86      -7.0629      1.00000
     87      -6.9579      1.00000
     88      -6.9028      1.00000
     89      -6.6116      1.00000
     90      -6.5516      1.00000
     91      -6.2693      1.00000
     92      -5.9941      1.00000
     93      -5.9570      1.00000
     94      -5.6728      1.00000
     95      -5.6461      1.00000
     96      -5.3851      1.00000
     97      -5.3128      1.00000
     98      -5.2915      1.00000
     99      -5.2093      1.00000
    100      -5.1977      1.00000
    101      -4.5108      1.00000
    102      -4.3380      1.00000
    103      -3.9943      1.00000
    104      -3.8841      1.00000
    105      -3.7915      1.00000
    106      -3.4418      1.00000
    107      -2.0339      0.00000
    108      -1.8610      0.00000
    109      -1.2162      0.00000
    110      -1.1807      0.00000
    111      -1.0342      0.00000
    112      -0.7706      0.00000
    113      -0.6749      0.00000
    114      -0.6582      0.00000
    115      -0.6069      0.00000
    116      -0.0998      0.00000
    117       0.2252      0.00000
    118       0.2423      0.00000
    119       0.7750      0.00000
    120       0.9885      0.00000
    121       1.0755      0.00000
    122       1.2442      0.00000
    123       1.2529      0.00000
    124       1.3448      0.00000
    125       1.5820      0.00000
    126       1.5863      0.00000
    127       1.7093      0.00000
    128       1.7990      0.00000
    129       1.9534      0.00000
    130       1.9702      0.00000
    131       2.0697      0.00000
    132       2.2811      0.00000
    133       2.3430      0.00000
    134       2.4216      0.00000
    135       2.5508      0.00000
    136       2.6317      0.00000
    137       2.7490      0.00000
    138       2.8125      0.00000
    139       2.8484      0.00000
    140       2.8683      0.00000
    141       3.0471      0.00000
    142       3.1055      0.00000
    143       3.1601      0.00000
    144       3.2241      0.00000
    145       3.3770      0.00000
    146       3.4170      0.00000
    147       3.5082      0.00000
    148       3.5526      0.00000
    149       3.5929      0.00000
    150       3.6116      0.00000
    151       3.6515      0.00000
    152       3.7392      0.00000
    153       3.7493      0.00000
    154       3.7688      0.00000
    155       3.8004      0.00000
    156       3.8760      0.00000
    157       4.0220      0.00000
    158       4.0900      0.00000
    159       4.1734      0.00000
    160       4.2179      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0423   -7.3904    4.1990   -1.2759   -0.2387   17.5931    0.1478   -0.5326    0.6340   -0.4650
x    -3.0920   -0.0374   -0.0631    0.0617   -0.0091   -2.9772   -0.0110   -0.0070    0.0049    0.0016
x    -0.0965    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0423    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0942   -0.0088    0.0374    0.0376
y    -0.0458   -3.2473   -0.5379   -0.1638   -1.1794   -0.6054
z   204.0423    1.1246   -0.2802    0.0407    0.0091    0.0617    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0777    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1534
z    -0.2837    0.1869   -0.0387    0.0472   -0.1052    0.0013
 total charge-density along one line
x   212.0000  -10.2201    6.1465   -2.0856   -0.4744   19.5093   -0.9954    0.4741   -0.0448   -0.1262
x    -2.6453   -0.0277   -0.0610    0.0845   -0.0532   -2.2246   -0.0249   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2201    6.1465   -2.0856   -0.4744   19.5093   -0.9954    0.4741   -0.0448   -0.1262
y    -2.6453   -0.0277   -0.0610    0.0845   -0.0532   -2.2246   -0.0249   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4945  189.2976 -170.3722  153.6489 -139.4279  125.4193 -110.1054   93.9615  -78.3514
z    64.1456  -51.4952   40.4301  -31.2231   24.1247  -18.9412   15.0286  -11.7176    8.7149   -6.1209
z     4.1306   -2.7587    1.8216   -1.1114    0.5402   -0.1272   -0.1113    0.2279   -0.3093    0.3999
z    -0.4766    0.4934   -0.4403    0.3552   -0.2862    0.2512   -0.2334    0.2086   -0.1709    0.1317
z    -0.1037    0.0880   -0.0768    0.0636   -0.0491    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.840   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.027   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.022   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.840   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.027   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.022   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.057   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.030   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.312   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.057   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.312   0.000   0.000   0.158   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.415   0.000   0.077   0.585  -0.239   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.379   0.000   0.000   0.000  -0.051   0.000   0.069   0.007
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.041   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.368  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.239   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.264   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.007   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.007   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.262   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.781   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.781   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.645
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.781   0.000   2.645
 36        0.864   1.771   0.000   2.635
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.647
 40        0.863   1.785   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.867  89.423   8.029 142.319
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  114.65: CPU time   57.79
    FORLOC:  VPU time    1.24: CPU time    1.23
    FORNL :  VPU time  442.13: CPU time  221.51
    STRESS:  VPU time 1337.45: CPU time  671.84
    FORCOR:  VPU time    8.75: CPU time    8.74
    FORHAR:  VPU time    2.31: CPU time    2.31
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force =-0.4960670E-04[-0.808E-04,-0.184E-04]  d Energy =-0.1612573E-04-0.335E-04
 d Force =-0.1102336E+01[-0.110E+01,-0.110E+01]  d Ewald  = 0.9789439E+01-0.109E+02


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726401 eV

  energy  without entropy=     -471.726401  energy(sigma->0) =     -471.726401
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40839.52  40794.57 -47538.19    -38.93      0.00      0.00
  Hartree  40263.76  40244.72 -39522.50    -16.49      0.00      0.00
  E(xc)     -779.45   -779.74   -807.39     -0.25      0.00      0.00
  Local   -83387.35 -83332.26  84375.33     47.71      0.00      0.00
  n-local   -216.79   -215.66   -203.33      0.71      0.00      0.00
  augment     20.06     22.05     17.81      1.73      0.00      0.00
  Kinetic   3162.42   3175.96   3583.73      3.38      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.16     -0.15     -0.61      0.01      0.00      0.00
  in kB       -0.10     -0.09     -0.37      0.01      0.00      0.00
  external pressure =       -0.19 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345702695  0.001033011  0.000000000     0.080995933  0.046754055  0.000000000
    -6.171963376 10.692204745  0.000000000    -0.000007825  0.093521563  0.000000000
     0.000000000  0.000000000 19.983930511     0.000000000  0.000000000  0.050040206

  length of vectors
    12.345702738 12.345702662 19.983930511     0.093521563  0.093521564  0.050040206


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.474E-05 -.490E-04 -.951E+03   0.450E-05 -.278E-04 0.960E+03   -.339E-20 0.339E-20 -.866E+01   0.130E-07 0.151E-08 -.411E-01
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   -.142E-02 0.822E-03 -.222E-04
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   0.142E-02 -.822E-03 -.222E-04
   -.209E+01 0.121E+01 0.163E+02   0.210E+01 -.121E+01 -.163E+02   -.282E-02 0.163E-02 -.239E-01   0.138E-02 -.802E-03 0.579E-03
   0.619E+01 0.679E+01 0.194E+02   -.619E+01 -.681E+01 -.193E+02   0.858E-03 0.237E-01 -.273E-01   -.235E-02 0.360E-02 0.237E-03
   0.112E+02 0.512E+01 0.161E+02   -.112E+02 -.513E+01 -.161E+02   0.226E-01 0.566E-02 -.483E-01   0.382E-03 -.143E-02 -.695E-03
   0.472E+01 -.885E+00 0.126E+02   -.473E+01 0.892E+00 -.125E+02   0.164E-01 -.916E-02 -.184E-01   -.666E-03 0.204E-03 -.167E-02
   -.309E+01 -.252E+01 0.126E+02   0.310E+01 0.251E+01 -.126E+02   0.252E-02 0.575E-03 -.130E-01   0.385E-03 -.499E-03 -.238E-03
   0.631E+00 0.394E+01 0.126E+02   -.626E+00 -.394E+01 -.126E+02   0.763E-03 -.247E-02 -.130E-01   0.619E-03 -.904E-04 -.241E-03
   0.244E+01 0.189E+02 0.240E+02   -.244E+01 -.190E+02 -.240E+02   -.858E-03 0.101E+00 -.484E-01   -.190E-02 -.319E-02 -.726E-03
   0.226E+02 0.214E+02 0.422E+02   -.227E+02 -.217E+02 -.422E+02   0.838E-01 0.261E+00 -.610E-01   0.515E-02 -.986E-03 -.189E-02
   0.268E+02 -.345E+01 0.257E+02   -.271E+02 0.356E+01 -.256E+02   0.267E+00 -.110E+00 -.334E-01   -.204E-02 0.500E-03 -.136E-02
   0.916E+01 -.529E+01 0.136E+02   -.920E+01 0.531E+01 -.136E+02   0.428E-01 -.247E-01 -.118E-01   -.214E-02 0.123E-02 0.166E-03
   0.313E+01 -.364E+01 0.126E+02   -.314E+01 0.365E+01 -.125E+02   0.161E-01 -.966E-02 -.184E-01   -.512E-03 0.470E-03 -.168E-02
   -.594E+01 0.136E+02 0.162E+02   0.594E+01 -.137E+02 -.161E+02   0.177E-03 0.722E-01 -.517E-01   0.198E-03 0.202E-02 -.113E-02
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.275E-01 0.613E+00 0.294E+00   -.158E-02 0.152E-02 -.302E-02
   0.237E+02 -.137E+02 0.941E+02   -.243E+02 0.140E+02 -.962E+02   0.641E+00 -.370E+00 0.205E+01   0.928E-04 -.562E-04 -.308E-02
   0.164E+02 -.215E+02 0.257E+02   -.166E+02 0.217E+02 -.256E+02   0.228E+00 -.176E+00 -.334E-01   -.146E-02 0.151E-02 -.136E-02
   0.116E+01 -.123E+02 0.161E+02   -.116E+01 0.123E+02 -.161E+02   0.641E-02 -.224E-01 -.483E-01   0.144E-02 0.384E-03 -.700E-03
   -.416E+01 0.193E+01 0.116E+02   0.417E+01 -.194E+01 -.116E+02   0.181E-02 0.818E-02 -.439E-01   0.118E-02 -.474E-03 -.616E-03
   -.193E+02 0.111E+02 0.218E+02   0.193E+02 -.112E+02 -.217E+02   -.523E-01 0.302E-01 -.426E-01   -.193E-02 0.112E-02 -.294E-04
   -.373E+02 -.786E+01 0.478E+02   0.379E+02 0.814E+01 -.481E+02   -.545E+00 -.283E+00 0.294E+00   -.210E-02 0.605E-03 -.301E-02
   -.724E+01 -.303E+02 0.422E+02   0.743E+01 0.305E+02 -.422E+02   -.184E+00 -.203E+00 -.610E-01   0.343E-02 -.397E-02 -.189E-02
   -.279E+01 -.876E+01 0.194E+02   0.280E+01 0.877E+01 -.193E+02   -.201E-01 -.126E-01 -.273E-01   -.429E-02 0.234E-03 0.236E-03
   0.137E+01 -.789E+00 0.135E+02   -.136E+01 0.788E+00 -.134E+02   0.477E-02 -.275E-02 -.178E-01   0.136E-02 -.785E-03 0.299E-03
   -.375E+01 0.264E+01 0.116E+02   0.376E+01 -.264E+01 -.116E+02   -.618E-02 -.566E-02 -.439E-01   0.100E-02 -.776E-03 -.611E-03
   -.148E+02 -.166E+01 0.162E+02   0.148E+02 0.170E+01 -.161E+02   -.625E-01 -.363E-01 -.517E-01   -.165E-02 -.118E-02 -.112E-02
   -.152E+02 -.116E+02 0.240E+02   0.153E+02 0.116E+02 -.240E+02   -.881E-01 -.499E-01 -.484E-01   0.181E-02 0.323E-02 -.723E-03
   0.279E+01 0.876E+01 0.194E+02   -.280E+01 -.877E+01 -.193E+02   0.201E-01 0.126E-01 -.273E-01   0.429E-02 -.234E-03 0.236E-03
   0.152E+02 0.116E+02 0.240E+02   -.153E+02 -.116E+02 -.240E+02   0.881E-01 0.499E-01 -.484E-01   -.181E-02 -.323E-02 -.723E-03
   0.148E+02 0.166E+01 0.162E+02   -.148E+02 -.170E+01 -.161E+02   0.625E-01 0.363E-01 -.517E-01   0.165E-02 0.118E-02 -.112E-02
   0.375E+01 -.264E+01 0.116E+02   -.376E+01 0.264E+01 -.116E+02   0.618E-02 0.566E-02 -.439E-01   -.100E-02 0.776E-03 -.611E-03
   -.137E+01 0.789E+00 0.135E+02   0.136E+01 -.788E+00 -.134E+02   -.477E-02 0.275E-02 -.178E-01   -.136E-02 0.785E-03 0.299E-03
   -.116E+01 0.123E+02 0.161E+02   0.116E+01 -.123E+02 -.161E+02   -.641E-02 0.224E-01 -.483E-01   -.144E-02 -.384E-03 -.700E-03
   0.724E+01 0.303E+02 0.422E+02   -.743E+01 -.305E+02 -.422E+02   0.184E+00 0.203E+00 -.610E-01   -.343E-02 0.397E-02 -.189E-02
   0.373E+02 0.786E+01 0.478E+02   -.379E+02 -.814E+01 -.481E+02   0.545E+00 0.283E+00 0.294E+00   0.210E-02 -.605E-03 -.301E-02
   0.193E+02 -.111E+02 0.218E+02   -.193E+02 0.112E+02 -.217E+02   0.523E-01 -.302E-01 -.426E-01   0.193E-02 -.112E-02 -.294E-04
   0.416E+01 -.193E+01 0.116E+02   -.417E+01 0.194E+01 -.116E+02   -.181E-02 -.818E-02 -.439E-01   -.118E-02 0.474E-03 -.616E-03
   -.313E+01 0.364E+01 0.126E+02   0.314E+01 -.365E+01 -.125E+02   -.161E-01 0.966E-02 -.184E-01   0.512E-03 -.470E-03 -.168E-02
   -.164E+02 0.215E+02 0.257E+02   0.166E+02 -.217E+02 -.256E+02   -.228E+00 0.176E+00 -.334E-01   0.146E-02 -.151E-02 -.136E-02
   -.237E+02 0.137E+02 0.941E+02   0.243E+02 -.140E+02 -.962E+02   -.641E+00 0.370E+00 0.205E+01   -.927E-04 0.562E-04 -.308E-02
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.275E-01 -.613E+00 0.294E+00   0.158E-02 -.152E-02 -.302E-02
   0.594E+01 -.136E+02 0.162E+02   -.594E+01 0.137E+02 -.161E+02   -.177E-03 -.722E-01 -.517E-01   -.198E-03 -.202E-02 -.113E-02
   -.631E+00 -.394E+01 0.126E+02   0.626E+00 0.394E+01 -.126E+02   -.763E-03 0.247E-02 -.130E-01   -.619E-03 0.904E-04 -.241E-03
   -.916E+01 0.529E+01 0.136E+02   0.920E+01 -.531E+01 -.136E+02   -.428E-01 0.247E-01 -.118E-01   0.214E-02 -.123E-02 0.166E-03
   -.268E+02 0.345E+01 0.257E+02   0.271E+02 -.356E+01 -.256E+02   -.267E+00 0.110E+00 -.334E-01   0.204E-02 -.500E-03 -.136E-02
   -.226E+02 -.214E+02 0.422E+02   0.227E+02 0.217E+02 -.422E+02   -.838E-01 -.261E+00 -.610E-01   -.515E-02 0.987E-03 -.189E-02
   -.244E+01 -.189E+02 0.240E+02   0.244E+01 0.190E+02 -.240E+02   0.858E-03 -.101E+00 -.484E-01   0.190E-02 0.319E-02 -.726E-03
   0.209E+01 -.121E+01 0.163E+02   -.210E+01 0.121E+01 -.163E+02   0.282E-02 -.163E-02 -.239E-01   -.138E-02 0.802E-03 0.579E-03
   0.309E+01 0.252E+01 0.126E+02   -.310E+01 -.251E+01 -.126E+02   -.252E-02 -.575E-03 -.130E-01   -.385E-03 0.499E-03 -.238E-03
   -.472E+01 0.885E+00 0.126E+02   0.473E+01 -.892E+00 -.125E+02   -.164E-01 0.916E-02 -.184E-01   0.666E-03 -.204E-03 -.167E-02
   -.112E+02 -.512E+01 0.161E+02   0.112E+02 0.513E+01 -.161E+02   -.226E-01 -.566E-02 -.483E-01   -.382E-03 0.143E-02 -.695E-03
   -.619E+01 -.679E+01 0.194E+02   0.619E+01 0.681E+01 -.193E+02   -.858E-03 -.237E-01 -.273E-01   0.235E-02 -.360E-02 0.237E-03
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.293E-03 0.101E+02   -.675E-13 0.977E-13 -.782E-13   -.199E-16 0.104E-15 -.100E+02   0.657E-07 -.415E-07 -.897E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85236      6.05936     12.26230         0.000000      0.000000      0.036419
      1.07516      6.50808     13.52191         0.003032     -0.001750      0.006818
      2.62956      5.61065     13.52191        -0.003032      0.001750      0.006818
      0.00009     -0.00005      9.90957         0.002696     -0.001557     -0.000164
     -1.23472      2.13688      9.90826        -0.001686      0.006753     -0.000383
     -2.47003      4.27667      9.92827         0.004337     -0.004087     -0.000795
     -3.70366      6.41544      9.93603         0.002000     -0.001986     -0.001572
     -4.93741      8.55381      9.92652         0.005405     -0.004455     -0.000689
      2.46918      0.00005      9.92652         0.006561     -0.002454     -0.000689
      1.23402      2.13692      9.91782        -0.000237     -0.007591     -0.001273
     -0.00276      4.27109      9.93042         0.014714     -0.004738     -0.002383
     -1.23816      6.41608      9.95242        -0.003759      0.000129     -0.000893
     -2.46875      8.55415      9.93778        -0.000842      0.000486      0.000311
      4.93794      0.00077      9.93603         0.002720     -0.000739     -0.001572
      3.70426      2.13691      9.93927         0.003824      0.003135     -0.001058
      2.47000      4.26879      9.96703         0.003796      0.001073     -0.003062
      1.22924      6.41912      9.97319         0.003709     -0.002142      0.000686
     -0.00183      8.55747      9.95242        -0.001991      0.003190     -0.000893
      7.40698      0.00180      9.92827         0.005707     -0.001712     -0.000795
      6.17268      2.13917      9.93458         0.004546     -0.003107     -0.000831
      4.93927      4.27714      9.94724        -0.003109      0.001795      0.000141
      3.71186      6.41976      9.96703         0.000969     -0.003824     -0.003062
      2.47349      8.56008      9.93042         0.011461     -0.010374     -0.002383
      9.87775      0.00189      9.90826        -0.006691     -0.001916     -0.000383
      8.64194      2.13940      9.91943         0.007315     -0.004223     -0.000123
      7.40751      4.27795      9.93458         0.004964     -0.002383     -0.000831
      6.17526      6.41680      9.93927        -0.000803     -0.004879     -0.001058
      4.94013      8.55608      9.91782         0.006455      0.004001     -0.001273
     -0.00107      1.42463      9.90826         0.006691      0.001916     -0.000383
     -1.23541      3.56264      9.91782        -0.006455     -0.004001     -0.001273
     -2.47054      5.70193      9.93927         0.000803      0.004879     -0.001058
     -3.70279      7.84078      9.93458        -0.004964      0.002383     -0.000831
     -4.93723      9.97933      9.91943        -0.007315      0.004223     -0.000123
      2.46970      1.42472      9.92827        -0.005707      0.001712     -0.000795
      1.23122      3.55865      9.93042        -0.011461      0.010374     -0.002383
     -0.00714      5.69897      9.96703        -0.000969      0.003824     -0.003062
     -1.23455      7.84159      9.94724         0.003109     -0.001795      0.000141
     -2.46797      9.97955      9.93458        -0.004546      0.003107     -0.000831
      4.93875      1.42575      9.93603        -0.002720      0.000739     -0.001572
      3.70654      3.56126      9.95242         0.001991     -0.003190     -0.000893
      2.47547      5.69961      9.97319        -0.003709      0.002142      0.000686
      1.23472      7.84994      9.96703        -0.003796     -0.001073     -0.003062
      0.00045      9.98182      9.93927        -0.003824     -0.003135     -0.001058
      7.40750      1.42648      9.92652        -0.006561      0.002454     -0.000689
      6.17347      3.56457      9.93778         0.000842     -0.000486      0.000311
      4.94288      5.70265      9.95242         0.003759     -0.000129     -0.000893
      3.70747      7.84764      9.93042        -0.014714      0.004738     -0.002383
      2.47069      9.98181      9.91782         0.000237      0.007591     -0.001273
      9.87659      1.42658      9.90957        -0.002696      0.001557     -0.000164
      8.64213      3.56492      9.92652        -0.005405      0.004455     -0.000689
      7.40838      5.70329      9.93603        -0.002000      0.001986     -0.001572
      6.17475      7.84205      9.92827        -0.004337      0.004087     -0.000795
      4.93943      9.98185      9.90826         0.001686     -0.006753     -0.000383
 -----------------------------------------------------------------------------------
    total drift:                               -0.001807      0.000293      0.036005


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.98: CPU time    1.97
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.35
    ORTHCH:  VPU time  189.31: CPU time   94.74
     LOOP+:  VPU time 5502.00: CPU time 2829.73


----------------------------------------- Iteration   41(   1)  ---------------------------------------


    POTLOK:  VPU time    9.35: CPU time    9.13
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1800.46: CPU time  928.65
 BZINTS: Fermi energy: -3.206606;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.63: CPU time   57.76
    MIXING:  VPU time    0.17: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1925.01: CPU time  996.08

 eigenvalue-minimisations  :  5920
 total energy-change (2. order) :-0.4717264E+03  (-0.4020779E-03)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9571811 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.10959E-02    rms(broyden)= 0.10950E-02
  rms(prec ) = 0.12376E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34093.90395682
  -1/2 Hartree   DENC   =    -40984.90087130
  -V(xc)+E(xc)   XCENC  =       726.58283753
  PAW double counting   =      4093.64895833    -4131.99437117
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.40677323
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72640942 eV

  energy without entropy =     -471.72640942  energy(sigma->0) =     -471.72640942


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   41(   2)  ---------------------------------------


    POTLOK:  VPU time    9.01: CPU time    9.01
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 1538.05: CPU time  791.73
 BZINTS: Fermi energy: -3.206408;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1547.45: CPU time  801.11

 eigenvalue-minimisations  :  4736
 total energy-change (2. order) : 0.2488378E-07  (-0.8137222E-05)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9571811 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34093.90395682
  -1/2 Hartree   DENC   =    -40984.77881711
  -V(xc)+E(xc)   XCENC  =       726.58003054
  PAW double counting   =      4093.61033390    -4131.95582076
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.52594639
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72640940 eV

  energy without entropy =     -471.72640940  energy(sigma->0) =     -471.72640940


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2181       2 -39.5359       3 -39.5359       4 -58.3130       5 -58.3167
       6 -58.3191       7 -58.3138       8 -58.3141       9 -58.3141      10 -58.3207
      11 -58.3870      12 -58.3510      13 -58.3218      14 -58.3138      15 -58.3237
      16 -58.5416      17 -58.7291      18 -58.3510      19 -58.3191      20 -58.3191
      21 -58.3569      22 -58.5416      23 -58.3870      24 -58.3167      25 -58.3218
      26 -58.3191      27 -58.3237      28 -58.3207      29 -58.3166      30 -58.3206
      31 -58.3236      32 -58.3191      33 -58.3217      34 -58.3190      35 -58.3869
      36 -58.5416      37 -58.3568      38 -58.3191      39 -58.3136      40 -58.3509
      41 -58.7290      42 -58.5416      43 -58.3236      44 -58.3140      45 -58.3216
      46 -58.3509      47 -58.3870      48 -58.3206      49 -58.3129      50 -58.3140
      51 -58.3136      52 -58.3191      53 -58.3166
 
 
 
 E-fermi :  -3.2064     XC(G=0):  -2.3436     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4247      1.00000
      2     -21.6017      1.00000
      3     -21.4797      1.00000
      4     -21.4707      1.00000
      5     -21.4391      1.00000
      6     -21.4383      1.00000
      7     -21.4281      1.00000
      8     -19.7060      1.00000
      9     -19.6509      1.00000
     10     -19.6278      1.00000
     11     -19.6165      1.00000
     12     -19.6113      1.00000
     13     -19.6103      1.00000
     14     -18.7882      1.00000
     15     -18.7529      1.00000
     16     -18.7333      1.00000
     17     -18.7238      1.00000
     18     -18.7164      1.00000
     19     -18.7111      1.00000
     20     -16.6338      1.00000
     21     -16.6073      1.00000
     22     -16.5831      1.00000
     23     -16.5799      1.00000
     24     -16.5526      1.00000
     25     -16.5511      1.00000
     26     -15.6130      1.00000
     27     -15.6001      1.00000
     28     -15.5969      1.00000
     29     -15.5629      1.00000
     30     -15.5611      1.00000
     31     -15.5603      1.00000
     32     -14.2581      1.00000
     33     -14.2490      1.00000
     34     -14.2390      1.00000
     35     -14.2339      1.00000
     36     -14.2208      1.00000
     37     -14.2176      1.00000
     38     -11.9043      1.00000
     39     -11.8773      1.00000
     40     -11.8660      1.00000
     41     -11.8644      1.00000
     42     -11.8433      1.00000
     43     -11.8432      1.00000
     44     -11.7692      1.00000
     45     -11.7668      1.00000
     46     -11.7338      1.00000
     47     -11.7272      1.00000
     48     -11.7233      1.00000
     49     -11.7203      1.00000
     50     -10.6746      1.00000
     51     -10.3870      1.00000
     52     -10.3818      1.00000
     53     -10.3749      1.00000
     54     -10.3671      1.00000
     55     -10.3537      1.00000
     56     -10.3517      1.00000
     57      -9.9027      1.00000
     58      -9.4488      1.00000
     59      -9.4038      1.00000
     60      -9.3607      1.00000
     61      -9.3601      1.00000
     62      -9.3522      1.00000
     63      -9.1406      1.00000
     64      -9.1206      1.00000
     65      -9.1193      1.00000
     66      -9.0832      1.00000
     67      -9.0699      1.00000
     68      -9.0694      1.00000
     69      -9.0691      1.00000
     70      -9.0629      1.00000
     71      -9.0623      1.00000
     72      -9.0372      1.00000
     73      -9.0273      1.00000
     74      -9.0240      1.00000
     75      -8.1288      1.00000
     76      -7.7455      1.00000
     77      -7.4673      1.00000
     78      -7.4648      1.00000
     79      -7.4525      1.00000
     80      -7.4326      1.00000
     81      -7.4228      1.00000
     82      -7.4050      1.00000
     83      -7.3113      1.00000
     84      -7.2693      1.00000
     85      -7.2557      1.00000
     86      -7.2472      1.00000
     87      -7.1489      1.00000
     88      -7.0483      1.00000
     89      -6.4447      1.00000
     90      -6.4146      1.00000
     91      -6.3990      1.00000
     92      -6.3619      1.00000
     93      -6.3513      1.00000
     94      -6.3392      1.00000
     95      -5.9572      1.00000
     96      -5.9569      1.00000
     97      -4.8058      1.00000
     98      -4.5434      1.00000
     99      -4.4800      1.00000
    100      -4.4734      1.00000
    101      -4.3808      1.00000
    102      -4.3804      1.00000
    103      -4.2669      1.00000
    104      -4.1866      1.00000
    105      -3.7385      1.00000
    106      -3.4771      1.00000
    107      -1.8612      0.00000
    108      -1.6696      0.00000
    109      -1.6232      0.00000
    110      -1.5904      0.00000
    111      -1.5749      0.00000
    112      -1.5739      0.00000
    113      -0.4277      0.00000
    114       0.1469      0.00000
    115       0.1926      0.00000
    116       0.2563      0.00000
    117       0.2683      0.00000
    118       0.2720      0.00000
    119       0.4786      0.00000
    120       0.5584      0.00000
    121       1.2579      0.00000
    122       1.2931      0.00000
    123       1.5514      0.00000
    124       1.7692      0.00000
    125       1.7808      0.00000
    126       1.7837      0.00000
    127       1.7847      0.00000
    128       1.8333      0.00000
    129       1.9589      0.00000
    130       1.9724      0.00000
    131       1.9749      0.00000
    132       1.9895      0.00000
    133       1.9967      0.00000
    134       2.0890      0.00000
    135       2.2668      0.00000
    136       2.3438      0.00000
    137       2.6326      0.00000
    138       2.6332      0.00000
    139       2.6647      0.00000
    140       2.7160      0.00000
    141       2.9416      0.00000
    142       3.0252      0.00000
    143       3.0285      0.00000
    144       3.0595      0.00000
    145       3.0608      0.00000
    146       3.0649      0.00000
    147       3.0900      0.00000
    148       3.2854      0.00000
    149       3.4485      0.00000
    150       3.5165      0.00000
    151       3.8191      0.00000
    152       3.9558      0.00000
    153       3.9579      0.00000
    154       3.9596      0.00000
    155       3.9659      0.00000
    156       4.0012      0.00000
    157       4.1887      0.00000
    158       4.2677      0.00000
    159       4.2752      0.00000
    160       4.2893      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3880      1.00000
      2     -21.8289      1.00000
      3     -21.6366      1.00000
      4     -21.6087      1.00000
      5     -21.2730      1.00000
      6     -21.2336      1.00000
      7     -21.0552      1.00000
      8     -20.1661      1.00000
      9     -20.1278      1.00000
     10     -19.6069      1.00000
     11     -19.5959      1.00000
     12     -19.4156      1.00000
     13     -19.0882      1.00000
     14     -19.0582      1.00000
     15     -19.0473      1.00000
     16     -19.0399      1.00000
     17     -18.3590      1.00000
     18     -18.3506      1.00000
     19     -18.0176      1.00000
     20     -17.0678      1.00000
     21     -17.0289      1.00000
     22     -16.9426      1.00000
     23     -16.9382      1.00000
     24     -16.4665      1.00000
     25     -16.4614      1.00000
     26     -15.6125      1.00000
     27     -15.6055      1.00000
     28     -15.2511      1.00000
     29     -15.2421      1.00000
     30     -15.1832      1.00000
     31     -15.0962      1.00000
     32     -15.0695      1.00000
     33     -14.6968      1.00000
     34     -14.6949      1.00000
     35     -13.7249      1.00000
     36     -13.7224      1.00000
     37     -13.2343      1.00000
     38     -12.6128      1.00000
     39     -12.5826      1.00000
     40     -12.4525      1.00000
     41     -12.4488      1.00000
     42     -12.1079      1.00000
     43     -12.1033      1.00000
     44     -11.7154      1.00000
     45     -11.6845      1.00000
     46     -11.2337      1.00000
     47     -11.2245      1.00000
     48     -11.0161      1.00000
     49     -11.0082      1.00000
     50     -10.9249      1.00000
     51     -10.9034      1.00000
     52     -10.6296      1.00000
     53     -10.1535      1.00000
     54     -10.1490      1.00000
     55     -10.0905      1.00000
     56      -9.9971      1.00000
     57      -9.7013      1.00000
     58      -9.6934      1.00000
     59      -9.6543      1.00000
     60      -9.5903      1.00000
     61      -9.5752      1.00000
     62      -9.5571      1.00000
     63      -9.3057      1.00000
     64      -9.3017      1.00000
     65      -9.2725      1.00000
     66      -9.2348      1.00000
     67      -9.1351      1.00000
     68      -9.1139      1.00000
     69      -9.1094      1.00000
     70      -8.9381      1.00000
     71      -8.8703      1.00000
     72      -8.6031      1.00000
     73      -8.5894      1.00000
     74      -8.2353      1.00000
     75      -8.0993      1.00000
     76      -7.9120      1.00000
     77      -7.8621      1.00000
     78      -7.7703      1.00000
     79      -7.7554      1.00000
     80      -7.6907      1.00000
     81      -7.5598      1.00000
     82      -7.3374      1.00000
     83      -7.3213      1.00000
     84      -7.2028      1.00000
     85      -7.1221      1.00000
     86      -7.0307      1.00000
     87      -7.0107      1.00000
     88      -6.7030      1.00000
     89      -6.6766      1.00000
     90      -6.6397      1.00000
     91      -6.5962      1.00000
     92      -6.1147      1.00000
     93      -6.0609      1.00000
     94      -6.0298      1.00000
     95      -6.0098      1.00000
     96      -5.7820      1.00000
     97      -4.9736      1.00000
     98      -4.8307      1.00000
     99      -4.7458      1.00000
    100      -4.6782      1.00000
    101      -4.4681      1.00000
    102      -4.2030      1.00000
    103      -4.1707      1.00000
    104      -4.1269      1.00000
    105      -3.7288      1.00000
    106      -3.4873      1.00000
    107      -1.8696      0.00000
    108      -1.8080      0.00000
    109      -1.5236      0.00000
    110      -1.3766      0.00000
    111      -1.3205      0.00000
    112      -1.2871      0.00000
    113      -0.7191      0.00000
    114      -0.3751      0.00000
    115      -0.2490      0.00000
    116       0.0385      0.00000
    117       0.5642      0.00000
    118       0.7008      0.00000
    119       0.7476      0.00000
    120       1.0500      0.00000
    121       1.1006      0.00000
    122       1.1546      0.00000
    123       1.2296      0.00000
    124       1.3859      0.00000
    125       1.5325      0.00000
    126       1.5995      0.00000
    127       1.7195      0.00000
    128       1.7965      0.00000
    129       1.8577      0.00000
    130       1.8838      0.00000
    131       2.1008      0.00000
    132       2.2013      0.00000
    133       2.2484      0.00000
    134       2.3196      0.00000
    135       2.5237      0.00000
    136       2.6055      0.00000
    137       2.6097      0.00000
    138       2.7825      0.00000
    139       2.7934      0.00000
    140       2.8240      0.00000
    141       2.8264      0.00000
    142       2.9013      0.00000
    143       2.9323      0.00000
    144       3.1009      0.00000
    145       3.1656      0.00000
    146       3.3184      0.00000
    147       3.3513      0.00000
    148       3.4023      0.00000
    149       3.4692      0.00000
    150       3.6031      0.00000
    151       3.6428      0.00000
    152       3.6625      0.00000
    153       3.7113      0.00000
    154       3.9180      0.00000
    155       3.9636      0.00000
    156       4.0240      0.00000
    157       4.0702      0.00000
    158       4.2414      0.00000
    159       4.2545      0.00000
    160       4.2811      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2820      1.00000
      2     -22.0763      1.00000
      3     -21.7150      1.00000
      4     -21.6831      1.00000
      5     -20.9779      1.00000
      6     -20.9372      1.00000
      7     -20.6103      1.00000
      8     -20.5736      1.00000
      9     -20.5673      1.00000
     10     -20.0311      1.00000
     11     -19.5017      1.00000
     12     -19.4900      1.00000
     13     -19.3051      1.00000
     14     -19.3000      1.00000
     15     -18.4462      1.00000
     16     -18.4094      1.00000
     17     -17.9207      1.00000
     18     -17.9113      1.00000
     19     -17.7601      1.00000
     20     -17.7243      1.00000
     21     -17.4344      1.00000
     22     -17.4268      1.00000
     23     -17.3396      1.00000
     24     -16.4612      1.00000
     25     -16.4599      1.00000
     26     -15.9652      1.00000
     27     -15.4126      1.00000
     28     -15.4072      1.00000
     29     -15.0948      1.00000
     30     -15.0916      1.00000
     31     -14.8536      1.00000
     32     -14.8461      1.00000
     33     -14.2888      1.00000
     34     -14.2559      1.00000
     35     -13.4352      1.00000
     36     -13.4027      1.00000
     37     -13.1759      1.00000
     38     -13.1726      1.00000
     39     -12.9799      1.00000
     40     -12.9750      1.00000
     41     -12.6116      1.00000
     42     -12.6083      1.00000
     43     -12.1963      1.00000
     44     -11.5747      1.00000
     45     -11.5409      1.00000
     46     -11.3089      1.00000
     47     -11.2860      1.00000
     48     -11.1407      1.00000
     49     -10.6750      1.00000
     50     -10.6589      1.00000
     51     -10.5518      1.00000
     52     -10.3220      1.00000
     53     -10.3160      1.00000
     54     -10.1677      1.00000
     55     -10.1139      1.00000
     56     -10.1111      1.00000
     57      -9.7966      1.00000
     58      -9.7636      1.00000
     59      -9.7501      1.00000
     60      -9.6981      1.00000
     61      -9.6956      1.00000
     62      -9.6604      1.00000
     63      -9.3531      1.00000
     64      -9.3496      1.00000
     65      -9.3136      1.00000
     66      -9.0397      1.00000
     67      -8.9607      1.00000
     68      -8.9480      1.00000
     69      -8.7979      1.00000
     70      -8.5931      1.00000
     71      -8.5562      1.00000
     72      -8.3969      1.00000
     73      -8.3633      1.00000
     74      -8.3231      1.00000
     75      -8.3056      1.00000
     76      -8.2575      1.00000
     77      -8.2557      1.00000
     78      -8.2346      1.00000
     79      -7.9034      1.00000
     80      -7.6501      1.00000
     81      -7.5486      1.00000
     82      -7.3850      1.00000
     83      -7.3479      1.00000
     84      -7.2296      1.00000
     85      -7.0948      1.00000
     86      -7.0374      1.00000
     87      -6.9324      1.00000
     88      -6.8468      1.00000
     89      -6.6111      1.00000
     90      -6.5576      1.00000
     91      -6.2683      1.00000
     92      -6.0425      1.00000
     93      -5.9502      1.00000
     94      -5.6615      1.00000
     95      -5.6210      1.00000
     96      -5.4621      1.00000
     97      -5.3188      1.00000
     98      -5.2775      1.00000
     99      -5.2127      1.00000
    100      -5.1922      1.00000
    101      -4.5079      1.00000
    102      -4.2072      1.00000
    103      -4.0583      1.00000
    104      -3.9879      1.00000
    105      -3.6934      1.00000
    106      -3.4975      1.00000
    107      -1.9455      0.00000
    108      -1.8954      0.00000
    109      -1.3383      0.00000
    110      -1.0840      0.00000
    111      -1.0572      0.00000
    112      -0.7995      0.00000
    113      -0.6766      0.00000
    114      -0.6460      0.00000
    115      -0.6065      0.00000
    116      -0.1066      0.00000
    117       0.2161      0.00000
    118       0.3306      0.00000
    119       0.7031      0.00000
    120       0.8955      0.00000
    121       1.1300      0.00000
    122       1.2003      0.00000
    123       1.3345      0.00000
    124       1.4309      0.00000
    125       1.5580      0.00000
    126       1.5785      0.00000
    127       1.6947      0.00000
    128       1.8082      0.00000
    129       1.8895      0.00000
    130       2.0619      0.00000
    131       2.1049      0.00000
    132       2.3036      0.00000
    133       2.3552      0.00000
    134       2.4106      0.00000
    135       2.5626      0.00000
    136       2.6361      0.00000
    137       2.7223      0.00000
    138       2.7394      0.00000
    139       2.7951      0.00000
    140       2.8837      0.00000
    141       3.0504      0.00000
    142       3.0646      0.00000
    143       3.1761      0.00000
    144       3.2725      0.00000
    145       3.3692      0.00000
    146       3.4235      0.00000
    147       3.4430      0.00000
    148       3.5656      0.00000
    149       3.5849      0.00000
    150       3.6053      0.00000
    151       3.6625      0.00000
    152       3.6828      0.00000
    153       3.7685      0.00000
    154       3.7756      0.00000
    155       3.8098      0.00000
    156       3.8948      0.00000
    157       3.9332      0.00000
    158       3.9977      0.00000
    159       4.2175      0.00000
    160       4.2312      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3160      1.00000
      2     -21.9613      1.00000
      3     -21.8920      1.00000
      4     -21.3793      1.00000
      5     -21.3500      1.00000
      6     -20.8382      1.00000
      7     -20.7728      1.00000
      8     -20.6226      1.00000
      9     -20.0760      1.00000
     10     -20.0702      1.00000
     11     -19.7153      1.00000
     12     -19.6907      1.00000
     13     -18.9949      1.00000
     14     -18.9889      1.00000
     15     -18.6389      1.00000
     16     -18.6230      1.00000
     17     -18.4607      1.00000
     18     -17.6741      1.00000
     19     -17.6235      1.00000
     20     -17.6207      1.00000
     21     -17.5788      1.00000
     22     -17.1250      1.00000
     23     -17.1035      1.00000
     24     -16.9602      1.00000
     25     -15.9999      1.00000
     26     -15.9279      1.00000
     27     -15.5841      1.00000
     28     -15.5837      1.00000
     29     -15.2857      1.00000
     30     -14.8624      1.00000
     31     -14.8352      1.00000
     32     -14.5777      1.00000
     33     -14.5358      1.00000
     34     -14.1670      1.00000
     35     -14.1534      1.00000
     36     -13.1464      1.00000
     37     -13.0989      1.00000
     38     -13.0284      1.00000
     39     -13.0183      1.00000
     40     -12.7077      1.00000
     41     -12.7035      1.00000
     42     -12.3397      1.00000
     43     -12.3084      1.00000
     44     -11.6345      1.00000
     45     -11.6208      1.00000
     46     -11.5704      1.00000
     47     -10.9478      1.00000
     48     -10.9147      1.00000
     49     -10.6312      1.00000
     50     -10.6232      1.00000
     51     -10.5460      1.00000
     52     -10.4978      1.00000
     53     -10.4975      1.00000
     54     -10.4382      1.00000
     55     -10.3591      1.00000
     56     -10.0979      1.00000
     57      -9.9019      1.00000
     58      -9.6073      1.00000
     59      -9.5550      1.00000
     60      -9.4509      1.00000
     61      -9.4103      1.00000
     62      -9.4036      1.00000
     63      -9.3758      1.00000
     64      -9.3755      1.00000
     65      -9.2858      1.00000
     66      -9.1672      1.00000
     67      -9.1417      1.00000
     68      -9.1133      1.00000
     69      -8.8630      1.00000
     70      -8.8554      1.00000
     71      -8.8138      1.00000
     72      -8.5954      1.00000
     73      -8.4786      1.00000
     74      -8.1972      1.00000
     75      -8.1617      1.00000
     76      -8.0075      1.00000
     77      -7.9628      1.00000
     78      -7.8493      1.00000
     79      -7.8392      1.00000
     80      -7.7030      1.00000
     81      -7.6957      1.00000
     82      -7.6205      1.00000
     83      -7.4477      1.00000
     84      -7.2991      1.00000
     85      -7.2524      1.00000
     86      -6.9049      1.00000
     87      -6.8911      1.00000
     88      -6.5873      1.00000
     89      -6.5498      1.00000
     90      -6.4051      1.00000
     91      -6.2518      1.00000
     92      -6.2312      1.00000
     93      -6.2039      1.00000
     94      -6.0218      1.00000
     95      -5.5489      1.00000
     96      -5.4877      1.00000
     97      -5.3493      1.00000
     98      -5.2185      1.00000
     99      -4.9779      1.00000
    100      -4.7315      1.00000
    101      -4.6767      1.00000
    102      -4.3866      1.00000
    103      -4.2026      1.00000
    104      -3.8703      1.00000
    105      -3.5451      1.00000
    106      -3.5096      1.00000
    107      -2.2554      0.00000
    108      -1.4560      0.00000
    109      -1.3703      0.00000
    110      -1.2409      0.00000
    111      -1.0971      0.00000
    112      -0.9442      0.00000
    113      -0.8628      0.00000
    114      -0.8024      0.00000
    115      -0.1378      0.00000
    116       0.1121      0.00000
    117       0.2416      0.00000
    118       0.3788      0.00000
    119       0.6611      0.00000
    120       0.8373      0.00000
    121       0.9374      0.00000
    122       1.0709      0.00000
    123       1.2436      0.00000
    124       1.4541      0.00000
    125       1.5679      0.00000
    126       1.7672      0.00000
    127       1.7933      0.00000
    128       1.8640      0.00000
    129       1.9880      0.00000
    130       2.0436      0.00000
    131       2.1866      0.00000
    132       2.1925      0.00000
    133       2.4216      0.00000
    134       2.4224      0.00000
    135       2.5040      0.00000
    136       2.6052      0.00000
    137       2.6344      0.00000
    138       2.7066      0.00000
    139       2.7808      0.00000
    140       2.8485      0.00000
    141       2.9641      0.00000
    142       3.0886      0.00000
    143       3.1798      0.00000
    144       3.2077      0.00000
    145       3.2371      0.00000
    146       3.3257      0.00000
    147       3.3271      0.00000
    148       3.4732      0.00000
    149       3.5167      0.00000
    150       3.7004      0.00000
    151       3.7219      0.00000
    152       3.7307      0.00000
    153       3.8672      0.00000
    154       3.9036      0.00000
    155       3.9535      0.00000
    156       3.9810      0.00000
    157       3.9922      0.00000
    158       4.0365      0.00000
    159       4.0560      0.00000
    160       4.0581      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2090      1.00000
      2     -22.1159      1.00000
      3     -21.9552      1.00000
      4     -21.4028      1.00000
      5     -21.0483      1.00000
      6     -21.0123      1.00000
      7     -20.4992      1.00000
      8     -20.4597      1.00000
      9     -20.2934      1.00000
     10     -20.2741      1.00000
     11     -19.9560      1.00000
     12     -19.8902      1.00000
     13     -18.8810      1.00000
     14     -18.8122      1.00000
     15     -18.3515      1.00000
     16     -18.3052      1.00000
     17     -18.1516      1.00000
     18     -18.1343      1.00000
     19     -17.8254      1.00000
     20     -17.7877      1.00000
     21     -17.2505      1.00000
     22     -17.2400      1.00000
     23     -17.1637      1.00000
     24     -17.1313      1.00000
     25     -16.1083      1.00000
     26     -15.8839      1.00000
     27     -15.8685      1.00000
     28     -15.8328      1.00000
     29     -15.2354      1.00000
     30     -14.5536      1.00000
     31     -14.5257      1.00000
     32     -14.2791      1.00000
     33     -13.9625      1.00000
     34     -13.9549      1.00000
     35     -13.8190      1.00000
     36     -13.8031      1.00000
     37     -13.6134      1.00000
     38     -13.5695      1.00000
     39     -13.3682      1.00000
     40     -12.6328      1.00000
     41     -12.1797      1.00000
     42     -12.1316      1.00000
     43     -12.0705      1.00000
     44     -12.0181      1.00000
     45     -11.6685      1.00000
     46     -11.6549      1.00000
     47     -11.1376      1.00000
     48     -11.1170      1.00000
     49     -10.7932      1.00000
     50     -10.7295      1.00000
     51     -10.5276      1.00000
     52     -10.2075      1.00000
     53     -10.2041      1.00000
     54     -10.1630      1.00000
     55     -10.0164      1.00000
     56     -10.0027      1.00000
     57      -9.9891      1.00000
     58      -9.7998      1.00000
     59      -9.7963      1.00000
     60      -9.7610      1.00000
     61      -9.7563      1.00000
     62      -9.4530      1.00000
     63      -9.4159      1.00000
     64      -9.0791      1.00000
     65      -9.0712      1.00000
     66      -9.0393      1.00000
     67      -8.9542      1.00000
     68      -8.8757      1.00000
     69      -8.7109      1.00000
     70      -8.6986      1.00000
     71      -8.5644      1.00000
     72      -8.5415      1.00000
     73      -8.4979      1.00000
     74      -8.4613      1.00000
     75      -8.4520      1.00000
     76      -8.2589      1.00000
     77      -8.1241      1.00000
     78      -8.0419      1.00000
     79      -7.9143      1.00000
     80      -7.8619      1.00000
     81      -7.6135      1.00000
     82      -7.5473      1.00000
     83      -7.4886      1.00000
     84      -7.2676      1.00000
     85      -6.9942      1.00000
     86      -6.9220      1.00000
     87      -6.8808      1.00000
     88      -6.5312      1.00000
     89      -6.4858      1.00000
     90      -6.4598      1.00000
     91      -6.4086      1.00000
     92      -5.9827      1.00000
     93      -5.8961      1.00000
     94      -5.7833      1.00000
     95      -5.7580      1.00000
     96      -5.4310      1.00000
     97      -5.3280      1.00000
     98      -5.2290      1.00000
     99      -5.2165      1.00000
    100      -5.1868      1.00000
    101      -4.6910      1.00000
    102      -4.4207      1.00000
    103      -4.2091      1.00000
    104      -3.8336      1.00000
    105      -3.5287      1.00000
    106      -3.2730      1.00000
    107      -2.5302      0.00000
    108      -1.4574      0.00000
    109      -1.2657      0.00000
    110      -1.2020      0.00000
    111      -1.1716      0.00000
    112      -0.7188      0.00000
    113      -0.5027      0.00000
    114      -0.4111      0.00000
    115      -0.3387      0.00000
    116      -0.1450      0.00000
    117      -0.0022      0.00000
    118       0.1955      0.00000
    119       0.5629      0.00000
    120       0.6134      0.00000
    121       0.8041      0.00000
    122       0.9164      0.00000
    123       1.1425      0.00000
    124       1.5062      0.00000
    125       1.6434      0.00000
    126       1.8733      0.00000
    127       1.9379      0.00000
    128       2.1120      0.00000
    129       2.1154      0.00000
    130       2.1303      0.00000
    131       2.1699      0.00000
    132       2.2808      0.00000
    133       2.3204      0.00000
    134       2.4547      0.00000
    135       2.5790      0.00000
    136       2.6665      0.00000
    137       2.8620      0.00000
    138       2.8735      0.00000
    139       2.9028      0.00000
    140       3.0153      0.00000
    141       3.0294      0.00000
    142       3.1504      0.00000
    143       3.1514      0.00000
    144       3.2333      0.00000
    145       3.2765      0.00000
    146       3.2912      0.00000
    147       3.3078      0.00000
    148       3.3539      0.00000
    149       3.4348      0.00000
    150       3.4528      0.00000
    151       3.5623      0.00000
    152       3.6221      0.00000
    153       3.6744      0.00000
    154       3.7091      0.00000
    155       3.7870      0.00000
    156       3.9032      0.00000
    157       3.9440      0.00000
    158       4.0140      0.00000
    159       4.1515      0.00000
    160       4.2375      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3158      1.00000
      2     -21.9628      1.00000
      3     -21.8906      1.00000
      4     -21.3831      1.00000
      5     -21.3466      1.00000
      6     -20.8379      1.00000
      7     -20.7714      1.00000
      8     -20.6234      1.00000
      9     -20.0881      1.00000
     10     -20.0593      1.00000
     11     -19.7169      1.00000
     12     -19.6880      1.00000
     13     -19.0083      1.00000
     14     -18.9772      1.00000
     15     -18.6484      1.00000
     16     -18.6155      1.00000
     17     -18.4590      1.00000
     18     -17.6590      1.00000
     19     -17.6451      1.00000
     20     -17.6090      1.00000
     21     -17.5764      1.00000
     22     -17.1359      1.00000
     23     -17.0958      1.00000
     24     -16.9646      1.00000
     25     -16.0070      1.00000
     26     -15.9212      1.00000
     27     -15.5974      1.00000
     28     -15.5738      1.00000
     29     -15.2781      1.00000
     30     -14.8753      1.00000
     31     -14.8282      1.00000
     32     -14.5732      1.00000
     33     -14.5353      1.00000
     34     -14.1624      1.00000
     35     -14.1582      1.00000
     36     -13.1609      1.00000
     37     -13.0943      1.00000
     38     -13.0216      1.00000
     39     -13.0169      1.00000
     40     -12.7164      1.00000
     41     -12.6931      1.00000
     42     -12.3391      1.00000
     43     -12.3119      1.00000
     44     -11.6302      1.00000
     45     -11.6209      1.00000
     46     -11.5683      1.00000
     47     -10.9391      1.00000
     48     -10.9213      1.00000
     49     -10.6678      1.00000
     50     -10.5883      1.00000
     51     -10.5717      1.00000
     52     -10.4993      1.00000
     53     -10.4876      1.00000
     54     -10.4377      1.00000
     55     -10.3545      1.00000
     56     -10.1023      1.00000
     57      -9.8961      1.00000
     58      -9.6070      1.00000
     59      -9.5497      1.00000
     60      -9.4528      1.00000
     61      -9.4166      1.00000
     62      -9.4077      1.00000
     63      -9.3777      1.00000
     64      -9.3707      1.00000
     65      -9.2659      1.00000
     66      -9.1638      1.00000
     67      -9.1399      1.00000
     68      -9.1140      1.00000
     69      -8.8645      1.00000
     70      -8.8586      1.00000
     71      -8.8010      1.00000
     72      -8.5948      1.00000
     73      -8.5253      1.00000
     74      -8.1916      1.00000
     75      -8.1689      1.00000
     76      -8.0745      1.00000
     77      -7.8563      1.00000
     78      -7.8354      1.00000
     79      -7.8225      1.00000
     80      -7.7091      1.00000
     81      -7.6946      1.00000
     82      -7.5959      1.00000
     83      -7.5291      1.00000
     84      -7.3489      1.00000
     85      -7.1669      1.00000
     86      -6.9038      1.00000
     87      -6.8944      1.00000
     88      -6.5912      1.00000
     89      -6.5498      1.00000
     90      -6.4047      1.00000
     91      -6.3009      1.00000
     92      -6.2461      1.00000
     93      -6.1997      1.00000
     94      -6.0025      1.00000
     95      -5.5306      1.00000
     96      -5.4637      1.00000
     97      -5.3128      1.00000
     98      -5.2080      1.00000
     99      -5.0459      1.00000
    100      -4.7225      1.00000
    101      -4.6703      1.00000
    102      -4.4232      1.00000
    103      -4.1942      1.00000
    104      -3.8422      1.00000
    105      -3.6338      1.00000
    106      -3.4155      1.00000
    107      -2.2915      0.00000
    108      -1.5086      0.00000
    109      -1.2691      0.00000
    110      -1.2615      0.00000
    111      -1.0335      0.00000
    112      -0.9768      0.00000
    113      -0.8673      0.00000
    114      -0.7990      0.00000
    115      -0.2603      0.00000
    116       0.2050      0.00000
    117       0.2402      0.00000
    118       0.3617      0.00000
    119       0.6997      0.00000
    120       0.8955      0.00000
    121       0.9256      0.00000
    122       1.0474      0.00000
    123       1.1757      0.00000
    124       1.5172      0.00000
    125       1.5748      0.00000
    126       1.7177      0.00000
    127       1.7801      0.00000
    128       1.8305      0.00000
    129       1.9531      0.00000
    130       2.0031      0.00000
    131       2.1756      0.00000
    132       2.2789      0.00000
    133       2.4247      0.00000
    134       2.4329      0.00000
    135       2.4986      0.00000
    136       2.6028      0.00000
    137       2.6193      0.00000
    138       2.7108      0.00000
    139       2.7596      0.00000
    140       2.8767      0.00000
    141       3.0479      0.00000
    142       3.0875      0.00000
    143       3.1748      0.00000
    144       3.2267      0.00000
    145       3.2397      0.00000
    146       3.3006      0.00000
    147       3.3550      0.00000
    148       3.4601      0.00000
    149       3.5350      0.00000
    150       3.7001      0.00000
    151       3.7201      0.00000
    152       3.7544      0.00000
    153       3.8359      0.00000
    154       3.8852      0.00000
    155       3.9406      0.00000
    156       3.9807      0.00000
    157       4.0008      0.00000
    158       4.0224      0.00000
    159       4.0401      0.00000
    160       4.0800      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3879      1.00000
      2     -21.8292      1.00000
      3     -21.6398      1.00000
      4     -21.6048      1.00000
      5     -21.2772      1.00000
      6     -21.2301      1.00000
      7     -21.0548      1.00000
      8     -20.1699      1.00000
      9     -20.1237      1.00000
     10     -19.6153      1.00000
     11     -19.5893      1.00000
     12     -19.4139      1.00000
     13     -19.0930      1.00000
     14     -19.0544      1.00000
     15     -19.0500      1.00000
     16     -19.0372      1.00000
     17     -18.3652      1.00000
     18     -18.3456      1.00000
     19     -18.0149      1.00000
     20     -17.0707      1.00000
     21     -17.0218      1.00000
     22     -16.9482      1.00000
     23     -16.9344      1.00000
     24     -16.4736      1.00000
     25     -16.4615      1.00000
     26     -15.6077      1.00000
     27     -15.6072      1.00000
     28     -15.2479      1.00000
     29     -15.2360      1.00000
     30     -15.1899      1.00000
     31     -15.0998      1.00000
     32     -15.0670      1.00000
     33     -14.6967      1.00000
     34     -14.6958      1.00000
     35     -13.7234      1.00000
     36     -13.7233      1.00000
     37     -13.2336      1.00000
     38     -12.6228      1.00000
     39     -12.5787      1.00000
     40     -12.4529      1.00000
     41     -12.4476      1.00000
     42     -12.1033      1.00000
     43     -12.0985      1.00000
     44     -11.7200      1.00000
     45     -11.6813      1.00000
     46     -11.2441      1.00000
     47     -11.2235      1.00000
     48     -11.0158      1.00000
     49     -11.0042      1.00000
     50     -10.9259      1.00000
     51     -10.8973      1.00000
     52     -10.6356      1.00000
     53     -10.1709      1.00000
     54     -10.1478      1.00000
     55     -10.0832      1.00000
     56      -9.9906      1.00000
     57      -9.6944      1.00000
     58      -9.6879      1.00000
     59      -9.6687      1.00000
     60      -9.5900      1.00000
     61      -9.5660      1.00000
     62      -9.5521      1.00000
     63      -9.3110      1.00000
     64      -9.2983      1.00000
     65      -9.2816      1.00000
     66      -9.2417      1.00000
     67      -9.1205      1.00000
     68      -9.1108      1.00000
     69      -9.1091      1.00000
     70      -8.9378      1.00000
     71      -8.8739      1.00000
     72      -8.6036      1.00000
     73      -8.5848      1.00000
     74      -8.2698      1.00000
     75      -8.0998      1.00000
     76      -7.8663      1.00000
     77      -7.8419      1.00000
     78      -7.7893      1.00000
     79      -7.7632      1.00000
     80      -7.7541      1.00000
     81      -7.4467      1.00000
     82      -7.3332      1.00000
     83      -7.3217      1.00000
     84      -7.2647      1.00000
     85      -7.1610      1.00000
     86      -7.0137      1.00000
     87      -6.9851      1.00000
     88      -6.7163      1.00000
     89      -6.6891      1.00000
     90      -6.6301      1.00000
     91      -6.5891      1.00000
     92      -6.1163      1.00000
     93      -6.0577      1.00000
     94      -6.0433      1.00000
     95      -6.0273      1.00000
     96      -5.7463      1.00000
     97      -4.9738      1.00000
     98      -4.8385      1.00000
     99      -4.7075      1.00000
    100      -4.6719      1.00000
    101      -4.4829      1.00000
    102      -4.3517      1.00000
    103      -4.1109      1.00000
    104      -4.0547      1.00000
    105      -3.7543      1.00000
    106      -3.4649      1.00000
    107      -1.9498      0.00000
    108      -1.7701      0.00000
    109      -1.4789      0.00000
    110      -1.3547      0.00000
    111      -1.3350      0.00000
    112      -1.2918      0.00000
    113      -0.6775      0.00000
    114      -0.4709      0.00000
    115      -0.2348      0.00000
    116       0.0532      0.00000
    117       0.5976      0.00000
    118       0.6930      0.00000
    119       0.7711      0.00000
    120       1.0247      0.00000
    121       1.0975      0.00000
    122       1.1803      0.00000
    123       1.2538      0.00000
    124       1.3417      0.00000
    125       1.4450      0.00000
    126       1.6155      0.00000
    127       1.7481      0.00000
    128       1.8472      0.00000
    129       1.8573      0.00000
    130       1.8932      0.00000
    131       2.0421      0.00000
    132       2.2260      0.00000
    133       2.2492      0.00000
    134       2.3020      0.00000
    135       2.4846      0.00000
    136       2.6052      0.00000
    137       2.6391      0.00000
    138       2.7729      0.00000
    139       2.7856      0.00000
    140       2.8333      0.00000
    141       2.8396      0.00000
    142       2.8513      0.00000
    143       2.9247      0.00000
    144       3.1071      0.00000
    145       3.3163      0.00000
    146       3.3390      0.00000
    147       3.3808      0.00000
    148       3.4081      0.00000
    149       3.4271      0.00000
    150       3.5899      0.00000
    151       3.6320      0.00000
    152       3.6780      0.00000
    153       3.7372      0.00000
    154       3.9013      0.00000
    155       3.9326      0.00000
    156       3.9539      0.00000
    157       4.1072      0.00000
    158       4.2112      0.00000
    159       4.2581      0.00000
    160       4.2861      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2081      1.00000
      2     -22.1172      1.00000
      3     -21.9549      1.00000
      4     -21.4030      1.00000
      5     -21.0444      1.00000
      6     -21.0160      1.00000
      7     -20.4944      1.00000
      8     -20.4644      1.00000
      9     -20.2845      1.00000
     10     -20.2825      1.00000
     11     -19.9551      1.00000
     12     -19.8919      1.00000
     13     -18.8819      1.00000
     14     -18.8142      1.00000
     15     -18.3359      1.00000
     16     -18.3169      1.00000
     17     -18.1474      1.00000
     18     -18.1399      1.00000
     19     -17.8140      1.00000
     20     -17.7960      1.00000
     21     -17.2568      1.00000
     22     -17.2371      1.00000
     23     -17.1583      1.00000
     24     -17.1340      1.00000
     25     -16.1148      1.00000
     26     -15.8787      1.00000
     27     -15.8676      1.00000
     28     -15.8393      1.00000
     29     -15.2291      1.00000
     30     -14.5494      1.00000
     31     -14.5309      1.00000
     32     -14.2739      1.00000
     33     -13.9733      1.00000
     34     -13.9497      1.00000
     35     -13.8235      1.00000
     36     -13.8011      1.00000
     37     -13.6023      1.00000
     38     -13.5771      1.00000
     39     -13.3683      1.00000
     40     -12.6370      1.00000
     41     -12.1673      1.00000
     42     -12.1409      1.00000
     43     -12.0662      1.00000
     44     -12.0193      1.00000
     45     -11.6633      1.00000
     46     -11.6585      1.00000
     47     -11.1354      1.00000
     48     -11.1243      1.00000
     49     -10.7889      1.00000
     50     -10.7326      1.00000
     51     -10.5344      1.00000
     52     -10.2066      1.00000
     53     -10.2004      1.00000
     54     -10.1687      1.00000
     55     -10.0211      1.00000
     56      -9.9925      1.00000
     57      -9.9885      1.00000
     58      -9.8034      1.00000
     59      -9.7942      1.00000
     60      -9.7633      1.00000
     61      -9.7555      1.00000
     62      -9.4530      1.00000
     63      -9.4159      1.00000
     64      -9.0832      1.00000
     65      -9.0443      1.00000
     66      -9.0240      1.00000
     67      -8.9683      1.00000
     68      -8.8961      1.00000
     69      -8.7065      1.00000
     70      -8.6972      1.00000
     71      -8.5587      1.00000
     72      -8.5478      1.00000
     73      -8.4764      1.00000
     74      -8.4579      1.00000
     75      -8.4551      1.00000
     76      -8.3069      1.00000
     77      -8.0935      1.00000
     78      -8.0876      1.00000
     79      -7.9251      1.00000
     80      -7.8304      1.00000
     81      -7.5994      1.00000
     82      -7.5357      1.00000
     83      -7.4420      1.00000
     84      -7.3143      1.00000
     85      -6.9925      1.00000
     86      -6.9178      1.00000
     87      -6.8808      1.00000
     88      -6.5265      1.00000
     89      -6.5135      1.00000
     90      -6.4795      1.00000
     91      -6.4192      1.00000
     92      -5.9257      1.00000
     93      -5.9038      1.00000
     94      -5.7873      1.00000
     95      -5.7735      1.00000
     96      -5.3680      1.00000
     97      -5.3618      1.00000
     98      -5.2187      1.00000
     99      -5.2140      1.00000
    100      -5.1975      1.00000
    101      -4.7194      1.00000
    102      -4.4417      1.00000
    103      -4.1904      1.00000
    104      -3.8199      1.00000
    105      -3.5650      1.00000
    106      -3.2205      1.00000
    107      -2.5614      0.00000
    108      -1.4625      0.00000
    109      -1.2662      0.00000
    110      -1.1842      0.00000
    111      -1.1828      0.00000
    112      -0.6439      0.00000
    113      -0.5506      0.00000
    114      -0.4140      0.00000
    115      -0.3468      0.00000
    116      -0.0766      0.00000
    117      -0.0626      0.00000
    118       0.1275      0.00000
    119       0.5938      0.00000
    120       0.6282      0.00000
    121       0.8644      0.00000
    122       0.9960      0.00000
    123       1.0110      0.00000
    124       1.5012      0.00000
    125       1.6919      0.00000
    126       1.7890      0.00000
    127       1.8764      0.00000
    128       2.1083      0.00000
    129       2.1276      0.00000
    130       2.1776      0.00000
    131       2.2111      0.00000
    132       2.2515      0.00000
    133       2.3366      0.00000
    134       2.4911      0.00000
    135       2.5036      0.00000
    136       2.6774      0.00000
    137       2.8532      0.00000
    138       2.8616      0.00000
    139       2.9631      0.00000
    140       3.0038      0.00000
    141       3.0451      0.00000
    142       3.1453      0.00000
    143       3.1609      0.00000
    144       3.2524      0.00000
    145       3.2527      0.00000
    146       3.2832      0.00000
    147       3.3105      0.00000
    148       3.3627      0.00000
    149       3.4283      0.00000
    150       3.5597      0.00000
    151       3.5726      0.00000
    152       3.6569      0.00000
    153       3.6591      0.00000
    154       3.6745      0.00000
    155       3.7099      0.00000
    156       3.9064      0.00000
    157       3.9618      0.00000
    158       4.0483      0.00000
    159       4.0955      0.00000
    160       4.2012      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2816      1.00000
      2     -22.0769      1.00000
      3     -21.7186      1.00000
      4     -21.6794      1.00000
      5     -20.9812      1.00000
      6     -20.9334      1.00000
      7     -20.6098      1.00000
      8     -20.5774      1.00000
      9     -20.5639      1.00000
     10     -20.0305      1.00000
     11     -19.5118      1.00000
     12     -19.4818      1.00000
     13     -19.3097      1.00000
     14     -19.2968      1.00000
     15     -18.4480      1.00000
     16     -18.4048      1.00000
     17     -17.9260      1.00000
     18     -17.9057      1.00000
     19     -17.7642      1.00000
     20     -17.7193      1.00000
     21     -17.4401      1.00000
     22     -17.4217      1.00000
     23     -17.3363      1.00000
     24     -16.4697      1.00000
     25     -16.4593      1.00000
     26     -15.9688      1.00000
     27     -15.4093      1.00000
     28     -15.4084      1.00000
     29     -15.0943      1.00000
     30     -15.0912      1.00000
     31     -14.8512      1.00000
     32     -14.8390      1.00000
     33     -14.2962      1.00000
     34     -14.2526      1.00000
     35     -13.4428      1.00000
     36     -13.3990      1.00000
     37     -13.1734      1.00000
     38     -13.1722      1.00000
     39     -12.9837      1.00000
     40     -12.9748      1.00000
     41     -12.6090      1.00000
     42     -12.6070      1.00000
     43     -12.1951      1.00000
     44     -11.5779      1.00000
     45     -11.5367      1.00000
     46     -11.3117      1.00000
     47     -11.2814      1.00000
     48     -11.1404      1.00000
     49     -10.6912      1.00000
     50     -10.6618      1.00000
     51     -10.5457      1.00000
     52     -10.3204      1.00000
     53     -10.3127      1.00000
     54     -10.1739      1.00000
     55     -10.1201      1.00000
     56     -10.1066      1.00000
     57      -9.8099      1.00000
     58      -9.7508      1.00000
     59      -9.7503      1.00000
     60      -9.7004      1.00000
     61      -9.6965      1.00000
     62      -9.6451      1.00000
     63      -9.3509      1.00000
     64      -9.3494      1.00000
     65      -9.3166      1.00000
     66      -9.0264      1.00000
     67      -8.9597      1.00000
     68      -8.9559      1.00000
     69      -8.7737      1.00000
     70      -8.5903      1.00000
     71      -8.5869      1.00000
     72      -8.4220      1.00000
     73      -8.3479      1.00000
     74      -8.3209      1.00000
     75      -8.3004      1.00000
     76      -8.2642      1.00000
     77      -8.2527      1.00000
     78      -8.2380      1.00000
     79      -7.9199      1.00000
     80      -7.7326      1.00000
     81      -7.3781      1.00000
     82      -7.3486      1.00000
     83      -7.3234      1.00000
     84      -7.2159      1.00000
     85      -7.1589      1.00000
     86      -7.0637      1.00000
     87      -6.9593      1.00000
     88      -6.9037      1.00000
     89      -6.6122      1.00000
     90      -6.5552      1.00000
     91      -6.2699      1.00000
     92      -5.9951      1.00000
     93      -5.9578      1.00000
     94      -5.6739      1.00000
     95      -5.6474      1.00000
     96      -5.3861      1.00000
     97      -5.3135      1.00000
     98      -5.2925      1.00000
     99      -5.2106      1.00000
    100      -5.1990      1.00000
    101      -4.5109      1.00000
    102      -4.3383      1.00000
    103      -3.9956      1.00000
    104      -3.8851      1.00000
    105      -3.7922      1.00000
    106      -3.4427      1.00000
    107      -2.0336      0.00000
    108      -1.8623      0.00000
    109      -1.2169      0.00000
    110      -1.1831      0.00000
    111      -1.0350      0.00000
    112      -0.7714      0.00000
    113      -0.6764      0.00000
    114      -0.6592      0.00000
    115      -0.6089      0.00000
    116      -0.1001      0.00000
    117       0.2231      0.00000
    118       0.2412      0.00000
    119       0.7799      0.00000
    120       0.9927      0.00000
    121       1.0761      0.00000
    122       1.2443      0.00000
    123       1.2537      0.00000
    124       1.3488      0.00000
    125       1.5833      0.00000
    126       1.5861      0.00000
    127       1.7191      0.00000
    128       1.7975      0.00000
    129       1.9597      0.00000
    130       1.9815      0.00000
    131       2.0548      0.00000
    132       2.2650      0.00000
    133       2.3423      0.00000
    134       2.4292      0.00000
    135       2.5568      0.00000
    136       2.6347      0.00000
    137       2.7306      0.00000
    138       2.7976      0.00000
    139       2.8542      0.00000
    140       2.8682      0.00000
    141       3.0464      0.00000
    142       3.1110      0.00000
    143       3.1690      0.00000
    144       3.2275      0.00000
    145       3.3782      0.00000
    146       3.4195      0.00000
    147       3.5116      0.00000
    148       3.5566      0.00000
    149       3.5934      0.00000
    150       3.6103      0.00000
    151       3.6562      0.00000
    152       3.7423      0.00000
    153       3.7543      0.00000
    154       3.7633      0.00000
    155       3.7824      0.00000
    156       3.8774      0.00000
    157       4.0227      0.00000
    158       4.0973      0.00000
    159       4.1787      0.00000
    160       4.2239      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4247      1.00000
      2     -21.6017      1.00000
      3     -21.4797      1.00000
      4     -21.4707      1.00000
      5     -21.4391      1.00000
      6     -21.4383      1.00000
      7     -21.4281      1.00000
      8     -19.7060      1.00000
      9     -19.6509      1.00000
     10     -19.6278      1.00000
     11     -19.6165      1.00000
     12     -19.6113      1.00000
     13     -19.6103      1.00000
     14     -18.7882      1.00000
     15     -18.7529      1.00000
     16     -18.7333      1.00000
     17     -18.7238      1.00000
     18     -18.7164      1.00000
     19     -18.7111      1.00000
     20     -16.6338      1.00000
     21     -16.6073      1.00000
     22     -16.5831      1.00000
     23     -16.5799      1.00000
     24     -16.5526      1.00000
     25     -16.5511      1.00000
     26     -15.6130      1.00000
     27     -15.6001      1.00000
     28     -15.5969      1.00000
     29     -15.5629      1.00000
     30     -15.5611      1.00000
     31     -15.5603      1.00000
     32     -14.2581      1.00000
     33     -14.2490      1.00000
     34     -14.2390      1.00000
     35     -14.2339      1.00000
     36     -14.2208      1.00000
     37     -14.2176      1.00000
     38     -11.9043      1.00000
     39     -11.8773      1.00000
     40     -11.8660      1.00000
     41     -11.8644      1.00000
     42     -11.8433      1.00000
     43     -11.8432      1.00000
     44     -11.7692      1.00000
     45     -11.7668      1.00000
     46     -11.7338      1.00000
     47     -11.7272      1.00000
     48     -11.7233      1.00000
     49     -11.7203      1.00000
     50     -10.6746      1.00000
     51     -10.3870      1.00000
     52     -10.3818      1.00000
     53     -10.3749      1.00000
     54     -10.3671      1.00000
     55     -10.3537      1.00000
     56     -10.3517      1.00000
     57      -9.9027      1.00000
     58      -9.4488      1.00000
     59      -9.4038      1.00000
     60      -9.3607      1.00000
     61      -9.3601      1.00000
     62      -9.3522      1.00000
     63      -9.1406      1.00000
     64      -9.1206      1.00000
     65      -9.1193      1.00000
     66      -9.0832      1.00000
     67      -9.0699      1.00000
     68      -9.0694      1.00000
     69      -9.0691      1.00000
     70      -9.0629      1.00000
     71      -9.0623      1.00000
     72      -9.0372      1.00000
     73      -9.0273      1.00000
     74      -9.0240      1.00000
     75      -8.1288      1.00000
     76      -7.7455      1.00000
     77      -7.4673      1.00000
     78      -7.4648      1.00000
     79      -7.4525      1.00000
     80      -7.4326      1.00000
     81      -7.4228      1.00000
     82      -7.4050      1.00000
     83      -7.3113      1.00000
     84      -7.2693      1.00000
     85      -7.2557      1.00000
     86      -7.2472      1.00000
     87      -7.1489      1.00000
     88      -7.0483      1.00000
     89      -6.4447      1.00000
     90      -6.4146      1.00000
     91      -6.3990      1.00000
     92      -6.3619      1.00000
     93      -6.3513      1.00000
     94      -6.3392      1.00000
     95      -5.9572      1.00000
     96      -5.9569      1.00000
     97      -4.8058      1.00000
     98      -4.5434      1.00000
     99      -4.4800      1.00000
    100      -4.4734      1.00000
    101      -4.3808      1.00000
    102      -4.3804      1.00000
    103      -4.2669      1.00000
    104      -4.1866      1.00000
    105      -3.7385      1.00000
    106      -3.4771      1.00000
    107      -1.8612      0.00000
    108      -1.6696      0.00000
    109      -1.6232      0.00000
    110      -1.5904      0.00000
    111      -1.5749      0.00000
    112      -1.5739      0.00000
    113      -0.4277      0.00000
    114       0.1469      0.00000
    115       0.1926      0.00000
    116       0.2563      0.00000
    117       0.2683      0.00000
    118       0.2720      0.00000
    119       0.4786      0.00000
    120       0.5584      0.00000
    121       1.2579      0.00000
    122       1.2931      0.00000
    123       1.5514      0.00000
    124       1.7692      0.00000
    125       1.7808      0.00000
    126       1.7837      0.00000
    127       1.7847      0.00000
    128       1.8333      0.00000
    129       1.9589      0.00000
    130       1.9724      0.00000
    131       1.9749      0.00000
    132       1.9895      0.00000
    133       1.9967      0.00000
    134       2.0890      0.00000
    135       2.2668      0.00000
    136       2.3438      0.00000
    137       2.6326      0.00000
    138       2.6332      0.00000
    139       2.6647      0.00000
    140       2.7160      0.00000
    141       2.9416      0.00000
    142       3.0252      0.00000
    143       3.0285      0.00000
    144       3.0595      0.00000
    145       3.0608      0.00000
    146       3.0648      0.00000
    147       3.0900      0.00000
    148       3.2854      0.00000
    149       3.4485      0.00000
    150       3.5165      0.00000
    151       3.8191      0.00000
    152       3.9558      0.00000
    153       3.9579      0.00000
    154       3.9596      0.00000
    155       3.9659      0.00000
    156       4.0012      0.00000
    157       4.1887      0.00000
    158       4.2677      0.00000
    159       4.2752      0.00000
    160       4.2893      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3880      1.00000
      2     -21.8289      1.00000
      3     -21.6366      1.00000
      4     -21.6087      1.00000
      5     -21.2730      1.00000
      6     -21.2336      1.00000
      7     -21.0552      1.00000
      8     -20.1661      1.00000
      9     -20.1278      1.00000
     10     -19.6069      1.00000
     11     -19.5959      1.00000
     12     -19.4156      1.00000
     13     -19.0882      1.00000
     14     -19.0582      1.00000
     15     -19.0473      1.00000
     16     -19.0399      1.00000
     17     -18.3590      1.00000
     18     -18.3506      1.00000
     19     -18.0176      1.00000
     20     -17.0678      1.00000
     21     -17.0289      1.00000
     22     -16.9426      1.00000
     23     -16.9382      1.00000
     24     -16.4665      1.00000
     25     -16.4614      1.00000
     26     -15.6125      1.00000
     27     -15.6055      1.00000
     28     -15.2511      1.00000
     29     -15.2421      1.00000
     30     -15.1832      1.00000
     31     -15.0962      1.00000
     32     -15.0695      1.00000
     33     -14.6968      1.00000
     34     -14.6949      1.00000
     35     -13.7249      1.00000
     36     -13.7224      1.00000
     37     -13.2343      1.00000
     38     -12.6128      1.00000
     39     -12.5826      1.00000
     40     -12.4525      1.00000
     41     -12.4488      1.00000
     42     -12.1079      1.00000
     43     -12.1033      1.00000
     44     -11.7154      1.00000
     45     -11.6845      1.00000
     46     -11.2337      1.00000
     47     -11.2245      1.00000
     48     -11.0161      1.00000
     49     -11.0082      1.00000
     50     -10.9249      1.00000
     51     -10.9034      1.00000
     52     -10.6296      1.00000
     53     -10.1535      1.00000
     54     -10.1490      1.00000
     55     -10.0905      1.00000
     56      -9.9971      1.00000
     57      -9.7013      1.00000
     58      -9.6934      1.00000
     59      -9.6543      1.00000
     60      -9.5903      1.00000
     61      -9.5752      1.00000
     62      -9.5571      1.00000
     63      -9.3057      1.00000
     64      -9.3017      1.00000
     65      -9.2725      1.00000
     66      -9.2348      1.00000
     67      -9.1351      1.00000
     68      -9.1139      1.00000
     69      -9.1094      1.00000
     70      -8.9381      1.00000
     71      -8.8703      1.00000
     72      -8.6031      1.00000
     73      -8.5894      1.00000
     74      -8.2353      1.00000
     75      -8.0993      1.00000
     76      -7.9120      1.00000
     77      -7.8621      1.00000
     78      -7.7703      1.00000
     79      -7.7554      1.00000
     80      -7.6907      1.00000
     81      -7.5598      1.00000
     82      -7.3374      1.00000
     83      -7.3213      1.00000
     84      -7.2028      1.00000
     85      -7.1221      1.00000
     86      -7.0307      1.00000
     87      -7.0107      1.00000
     88      -6.7030      1.00000
     89      -6.6766      1.00000
     90      -6.6397      1.00000
     91      -6.5962      1.00000
     92      -6.1147      1.00000
     93      -6.0609      1.00000
     94      -6.0298      1.00000
     95      -6.0098      1.00000
     96      -5.7820      1.00000
     97      -4.9736      1.00000
     98      -4.8307      1.00000
     99      -4.7458      1.00000
    100      -4.6782      1.00000
    101      -4.4681      1.00000
    102      -4.2030      1.00000
    103      -4.1707      1.00000
    104      -4.1269      1.00000
    105      -3.7288      1.00000
    106      -3.4873      1.00000
    107      -1.8696      0.00000
    108      -1.8080      0.00000
    109      -1.5236      0.00000
    110      -1.3766      0.00000
    111      -1.3205      0.00000
    112      -1.2871      0.00000
    113      -0.7191      0.00000
    114      -0.3751      0.00000
    115      -0.2490      0.00000
    116       0.0385      0.00000
    117       0.5642      0.00000
    118       0.7008      0.00000
    119       0.7476      0.00000
    120       1.0500      0.00000
    121       1.1006      0.00000
    122       1.1546      0.00000
    123       1.2296      0.00000
    124       1.3859      0.00000
    125       1.5325      0.00000
    126       1.5995      0.00000
    127       1.7195      0.00000
    128       1.7965      0.00000
    129       1.8577      0.00000
    130       1.8838      0.00000
    131       2.1008      0.00000
    132       2.2013      0.00000
    133       2.2484      0.00000
    134       2.3196      0.00000
    135       2.5237      0.00000
    136       2.6055      0.00000
    137       2.6097      0.00000
    138       2.7825      0.00000
    139       2.7934      0.00000
    140       2.8240      0.00000
    141       2.8264      0.00000
    142       2.9013      0.00000
    143       2.9323      0.00000
    144       3.1009      0.00000
    145       3.1656      0.00000
    146       3.3184      0.00000
    147       3.3513      0.00000
    148       3.4023      0.00000
    149       3.4692      0.00000
    150       3.6031      0.00000
    151       3.6428      0.00000
    152       3.6625      0.00000
    153       3.7113      0.00000
    154       3.9180      0.00000
    155       3.9636      0.00000
    156       4.0240      0.00000
    157       4.0702      0.00000
    158       4.2414      0.00000
    159       4.2545      0.00000
    160       4.2811      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2820      1.00000
      2     -22.0763      1.00000
      3     -21.7150      1.00000
      4     -21.6831      1.00000
      5     -20.9779      1.00000
      6     -20.9372      1.00000
      7     -20.6103      1.00000
      8     -20.5736      1.00000
      9     -20.5673      1.00000
     10     -20.0311      1.00000
     11     -19.5017      1.00000
     12     -19.4900      1.00000
     13     -19.3051      1.00000
     14     -19.3000      1.00000
     15     -18.4462      1.00000
     16     -18.4094      1.00000
     17     -17.9207      1.00000
     18     -17.9113      1.00000
     19     -17.7601      1.00000
     20     -17.7243      1.00000
     21     -17.4344      1.00000
     22     -17.4268      1.00000
     23     -17.3396      1.00000
     24     -16.4612      1.00000
     25     -16.4599      1.00000
     26     -15.9652      1.00000
     27     -15.4126      1.00000
     28     -15.4072      1.00000
     29     -15.0948      1.00000
     30     -15.0916      1.00000
     31     -14.8536      1.00000
     32     -14.8461      1.00000
     33     -14.2888      1.00000
     34     -14.2559      1.00000
     35     -13.4352      1.00000
     36     -13.4027      1.00000
     37     -13.1759      1.00000
     38     -13.1726      1.00000
     39     -12.9799      1.00000
     40     -12.9750      1.00000
     41     -12.6116      1.00000
     42     -12.6083      1.00000
     43     -12.1963      1.00000
     44     -11.5747      1.00000
     45     -11.5409      1.00000
     46     -11.3089      1.00000
     47     -11.2860      1.00000
     48     -11.1407      1.00000
     49     -10.6750      1.00000
     50     -10.6589      1.00000
     51     -10.5518      1.00000
     52     -10.3220      1.00000
     53     -10.3160      1.00000
     54     -10.1677      1.00000
     55     -10.1139      1.00000
     56     -10.1111      1.00000
     57      -9.7966      1.00000
     58      -9.7636      1.00000
     59      -9.7501      1.00000
     60      -9.6981      1.00000
     61      -9.6956      1.00000
     62      -9.6604      1.00000
     63      -9.3531      1.00000
     64      -9.3496      1.00000
     65      -9.3136      1.00000
     66      -9.0397      1.00000
     67      -8.9607      1.00000
     68      -8.9480      1.00000
     69      -8.7979      1.00000
     70      -8.5931      1.00000
     71      -8.5562      1.00000
     72      -8.3969      1.00000
     73      -8.3633      1.00000
     74      -8.3231      1.00000
     75      -8.3056      1.00000
     76      -8.2575      1.00000
     77      -8.2557      1.00000
     78      -8.2346      1.00000
     79      -7.9034      1.00000
     80      -7.6501      1.00000
     81      -7.5486      1.00000
     82      -7.3850      1.00000
     83      -7.3479      1.00000
     84      -7.2296      1.00000
     85      -7.0948      1.00000
     86      -7.0374      1.00000
     87      -6.9324      1.00000
     88      -6.8468      1.00000
     89      -6.6111      1.00000
     90      -6.5576      1.00000
     91      -6.2683      1.00000
     92      -6.0425      1.00000
     93      -5.9502      1.00000
     94      -5.6615      1.00000
     95      -5.6210      1.00000
     96      -5.4621      1.00000
     97      -5.3188      1.00000
     98      -5.2775      1.00000
     99      -5.2127      1.00000
    100      -5.1922      1.00000
    101      -4.5079      1.00000
    102      -4.2072      1.00000
    103      -4.0583      1.00000
    104      -3.9879      1.00000
    105      -3.6934      1.00000
    106      -3.4975      1.00000
    107      -1.9455      0.00000
    108      -1.8954      0.00000
    109      -1.3383      0.00000
    110      -1.0840      0.00000
    111      -1.0572      0.00000
    112      -0.7995      0.00000
    113      -0.6766      0.00000
    114      -0.6460      0.00000
    115      -0.6065      0.00000
    116      -0.1066      0.00000
    117       0.2161      0.00000
    118       0.3306      0.00000
    119       0.7031      0.00000
    120       0.8955      0.00000
    121       1.1300      0.00000
    122       1.2003      0.00000
    123       1.3345      0.00000
    124       1.4309      0.00000
    125       1.5580      0.00000
    126       1.5785      0.00000
    127       1.6947      0.00000
    128       1.8082      0.00000
    129       1.8895      0.00000
    130       2.0619      0.00000
    131       2.1049      0.00000
    132       2.3036      0.00000
    133       2.3552      0.00000
    134       2.4106      0.00000
    135       2.5626      0.00000
    136       2.6361      0.00000
    137       2.7223      0.00000
    138       2.7394      0.00000
    139       2.7951      0.00000
    140       2.8837      0.00000
    141       3.0504      0.00000
    142       3.0646      0.00000
    143       3.1761      0.00000
    144       3.2725      0.00000
    145       3.3692      0.00000
    146       3.4235      0.00000
    147       3.4430      0.00000
    148       3.5656      0.00000
    149       3.5849      0.00000
    150       3.6053      0.00000
    151       3.6625      0.00000
    152       3.6828      0.00000
    153       3.7685      0.00000
    154       3.7756      0.00000
    155       3.8098      0.00000
    156       3.8948      0.00000
    157       3.9332      0.00000
    158       3.9977      0.00000
    159       4.2175      0.00000
    160       4.2312      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3160      1.00000
      2     -21.9613      1.00000
      3     -21.8920      1.00000
      4     -21.3793      1.00000
      5     -21.3500      1.00000
      6     -20.8382      1.00000
      7     -20.7728      1.00000
      8     -20.6226      1.00000
      9     -20.0760      1.00000
     10     -20.0702      1.00000
     11     -19.7153      1.00000
     12     -19.6907      1.00000
     13     -18.9949      1.00000
     14     -18.9889      1.00000
     15     -18.6389      1.00000
     16     -18.6230      1.00000
     17     -18.4607      1.00000
     18     -17.6741      1.00000
     19     -17.6235      1.00000
     20     -17.6207      1.00000
     21     -17.5788      1.00000
     22     -17.1250      1.00000
     23     -17.1035      1.00000
     24     -16.9602      1.00000
     25     -15.9999      1.00000
     26     -15.9279      1.00000
     27     -15.5841      1.00000
     28     -15.5837      1.00000
     29     -15.2857      1.00000
     30     -14.8624      1.00000
     31     -14.8352      1.00000
     32     -14.5777      1.00000
     33     -14.5358      1.00000
     34     -14.1670      1.00000
     35     -14.1534      1.00000
     36     -13.1464      1.00000
     37     -13.0989      1.00000
     38     -13.0284      1.00000
     39     -13.0183      1.00000
     40     -12.7077      1.00000
     41     -12.7035      1.00000
     42     -12.3397      1.00000
     43     -12.3084      1.00000
     44     -11.6345      1.00000
     45     -11.6208      1.00000
     46     -11.5704      1.00000
     47     -10.9478      1.00000
     48     -10.9147      1.00000
     49     -10.6312      1.00000
     50     -10.6232      1.00000
     51     -10.5460      1.00000
     52     -10.4978      1.00000
     53     -10.4975      1.00000
     54     -10.4382      1.00000
     55     -10.3591      1.00000
     56     -10.0979      1.00000
     57      -9.9019      1.00000
     58      -9.6073      1.00000
     59      -9.5550      1.00000
     60      -9.4509      1.00000
     61      -9.4103      1.00000
     62      -9.4036      1.00000
     63      -9.3758      1.00000
     64      -9.3755      1.00000
     65      -9.2858      1.00000
     66      -9.1672      1.00000
     67      -9.1417      1.00000
     68      -9.1133      1.00000
     69      -8.8630      1.00000
     70      -8.8554      1.00000
     71      -8.8138      1.00000
     72      -8.5954      1.00000
     73      -8.4786      1.00000
     74      -8.1972      1.00000
     75      -8.1617      1.00000
     76      -8.0075      1.00000
     77      -7.9628      1.00000
     78      -7.8493      1.00000
     79      -7.8392      1.00000
     80      -7.7030      1.00000
     81      -7.6957      1.00000
     82      -7.6205      1.00000
     83      -7.4477      1.00000
     84      -7.2991      1.00000
     85      -7.2524      1.00000
     86      -6.9049      1.00000
     87      -6.8911      1.00000
     88      -6.5873      1.00000
     89      -6.5498      1.00000
     90      -6.4051      1.00000
     91      -6.2518      1.00000
     92      -6.2312      1.00000
     93      -6.2039      1.00000
     94      -6.0218      1.00000
     95      -5.5489      1.00000
     96      -5.4877      1.00000
     97      -5.3493      1.00000
     98      -5.2185      1.00000
     99      -4.9779      1.00000
    100      -4.7315      1.00000
    101      -4.6767      1.00000
    102      -4.3866      1.00000
    103      -4.2026      1.00000
    104      -3.8703      1.00000
    105      -3.5451      1.00000
    106      -3.5096      1.00000
    107      -2.2554      0.00000
    108      -1.4560      0.00000
    109      -1.3703      0.00000
    110      -1.2409      0.00000
    111      -1.0971      0.00000
    112      -0.9442      0.00000
    113      -0.8628      0.00000
    114      -0.8024      0.00000
    115      -0.1378      0.00000
    116       0.1121      0.00000
    117       0.2416      0.00000
    118       0.3788      0.00000
    119       0.6611      0.00000
    120       0.8373      0.00000
    121       0.9374      0.00000
    122       1.0709      0.00000
    123       1.2436      0.00000
    124       1.4541      0.00000
    125       1.5679      0.00000
    126       1.7672      0.00000
    127       1.7933      0.00000
    128       1.8640      0.00000
    129       1.9880      0.00000
    130       2.0436      0.00000
    131       2.1866      0.00000
    132       2.1925      0.00000
    133       2.4216      0.00000
    134       2.4224      0.00000
    135       2.5040      0.00000
    136       2.6052      0.00000
    137       2.6344      0.00000
    138       2.7066      0.00000
    139       2.7808      0.00000
    140       2.8485      0.00000
    141       2.9641      0.00000
    142       3.0886      0.00000
    143       3.1798      0.00000
    144       3.2077      0.00000
    145       3.2371      0.00000
    146       3.3257      0.00000
    147       3.3271      0.00000
    148       3.4732      0.00000
    149       3.5167      0.00000
    150       3.7004      0.00000
    151       3.7219      0.00000
    152       3.7307      0.00000
    153       3.8672      0.00000
    154       3.9036      0.00000
    155       3.9535      0.00000
    156       3.9810      0.00000
    157       3.9922      0.00000
    158       4.0365      0.00000
    159       4.0560      0.00000
    160       4.0581      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2090      1.00000
      2     -22.1159      1.00000
      3     -21.9552      1.00000
      4     -21.4028      1.00000
      5     -21.0483      1.00000
      6     -21.0123      1.00000
      7     -20.4992      1.00000
      8     -20.4597      1.00000
      9     -20.2934      1.00000
     10     -20.2741      1.00000
     11     -19.9560      1.00000
     12     -19.8902      1.00000
     13     -18.8810      1.00000
     14     -18.8122      1.00000
     15     -18.3515      1.00000
     16     -18.3052      1.00000
     17     -18.1516      1.00000
     18     -18.1343      1.00000
     19     -17.8254      1.00000
     20     -17.7877      1.00000
     21     -17.2505      1.00000
     22     -17.2400      1.00000
     23     -17.1637      1.00000
     24     -17.1313      1.00000
     25     -16.1083      1.00000
     26     -15.8839      1.00000
     27     -15.8685      1.00000
     28     -15.8328      1.00000
     29     -15.2354      1.00000
     30     -14.5536      1.00000
     31     -14.5257      1.00000
     32     -14.2791      1.00000
     33     -13.9625      1.00000
     34     -13.9549      1.00000
     35     -13.8190      1.00000
     36     -13.8031      1.00000
     37     -13.6134      1.00000
     38     -13.5695      1.00000
     39     -13.3682      1.00000
     40     -12.6328      1.00000
     41     -12.1797      1.00000
     42     -12.1316      1.00000
     43     -12.0705      1.00000
     44     -12.0181      1.00000
     45     -11.6685      1.00000
     46     -11.6549      1.00000
     47     -11.1376      1.00000
     48     -11.1170      1.00000
     49     -10.7932      1.00000
     50     -10.7295      1.00000
     51     -10.5276      1.00000
     52     -10.2075      1.00000
     53     -10.2041      1.00000
     54     -10.1630      1.00000
     55     -10.0164      1.00000
     56     -10.0027      1.00000
     57      -9.9891      1.00000
     58      -9.7998      1.00000
     59      -9.7963      1.00000
     60      -9.7610      1.00000
     61      -9.7563      1.00000
     62      -9.4530      1.00000
     63      -9.4159      1.00000
     64      -9.0791      1.00000
     65      -9.0712      1.00000
     66      -9.0393      1.00000
     67      -8.9542      1.00000
     68      -8.8757      1.00000
     69      -8.7109      1.00000
     70      -8.6986      1.00000
     71      -8.5644      1.00000
     72      -8.5415      1.00000
     73      -8.4979      1.00000
     74      -8.4613      1.00000
     75      -8.4520      1.00000
     76      -8.2589      1.00000
     77      -8.1241      1.00000
     78      -8.0419      1.00000
     79      -7.9143      1.00000
     80      -7.8619      1.00000
     81      -7.6135      1.00000
     82      -7.5473      1.00000
     83      -7.4886      1.00000
     84      -7.2676      1.00000
     85      -6.9942      1.00000
     86      -6.9220      1.00000
     87      -6.8808      1.00000
     88      -6.5312      1.00000
     89      -6.4858      1.00000
     90      -6.4598      1.00000
     91      -6.4086      1.00000
     92      -5.9827      1.00000
     93      -5.8961      1.00000
     94      -5.7833      1.00000
     95      -5.7580      1.00000
     96      -5.4310      1.00000
     97      -5.3280      1.00000
     98      -5.2290      1.00000
     99      -5.2165      1.00000
    100      -5.1868      1.00000
    101      -4.6910      1.00000
    102      -4.4207      1.00000
    103      -4.2091      1.00000
    104      -3.8336      1.00000
    105      -3.5287      1.00000
    106      -3.2730      1.00000
    107      -2.5302      0.00000
    108      -1.4574      0.00000
    109      -1.2657      0.00000
    110      -1.2020      0.00000
    111      -1.1716      0.00000
    112      -0.7188      0.00000
    113      -0.5027      0.00000
    114      -0.4111      0.00000
    115      -0.3387      0.00000
    116      -0.1450      0.00000
    117      -0.0022      0.00000
    118       0.1955      0.00000
    119       0.5629      0.00000
    120       0.6134      0.00000
    121       0.8041      0.00000
    122       0.9164      0.00000
    123       1.1425      0.00000
    124       1.5062      0.00000
    125       1.6434      0.00000
    126       1.8733      0.00000
    127       1.9379      0.00000
    128       2.1120      0.00000
    129       2.1154      0.00000
    130       2.1303      0.00000
    131       2.1699      0.00000
    132       2.2808      0.00000
    133       2.3204      0.00000
    134       2.4547      0.00000
    135       2.5790      0.00000
    136       2.6665      0.00000
    137       2.8620      0.00000
    138       2.8735      0.00000
    139       2.9028      0.00000
    140       3.0153      0.00000
    141       3.0294      0.00000
    142       3.1504      0.00000
    143       3.1514      0.00000
    144       3.2333      0.00000
    145       3.2765      0.00000
    146       3.2912      0.00000
    147       3.3078      0.00000
    148       3.3539      0.00000
    149       3.4348      0.00000
    150       3.4528      0.00000
    151       3.5623      0.00000
    152       3.6221      0.00000
    153       3.6744      0.00000
    154       3.7091      0.00000
    155       3.7870      0.00000
    156       3.9032      0.00000
    157       3.9440      0.00000
    158       4.0140      0.00000
    159       4.1515      0.00000
    160       4.2375      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3158      1.00000
      2     -21.9628      1.00000
      3     -21.8906      1.00000
      4     -21.3831      1.00000
      5     -21.3466      1.00000
      6     -20.8379      1.00000
      7     -20.7714      1.00000
      8     -20.6234      1.00000
      9     -20.0881      1.00000
     10     -20.0593      1.00000
     11     -19.7169      1.00000
     12     -19.6880      1.00000
     13     -19.0083      1.00000
     14     -18.9772      1.00000
     15     -18.6484      1.00000
     16     -18.6155      1.00000
     17     -18.4590      1.00000
     18     -17.6590      1.00000
     19     -17.6451      1.00000
     20     -17.6090      1.00000
     21     -17.5764      1.00000
     22     -17.1359      1.00000
     23     -17.0958      1.00000
     24     -16.9646      1.00000
     25     -16.0070      1.00000
     26     -15.9212      1.00000
     27     -15.5974      1.00000
     28     -15.5738      1.00000
     29     -15.2781      1.00000
     30     -14.8753      1.00000
     31     -14.8282      1.00000
     32     -14.5732      1.00000
     33     -14.5353      1.00000
     34     -14.1624      1.00000
     35     -14.1582      1.00000
     36     -13.1609      1.00000
     37     -13.0943      1.00000
     38     -13.0216      1.00000
     39     -13.0169      1.00000
     40     -12.7164      1.00000
     41     -12.6931      1.00000
     42     -12.3391      1.00000
     43     -12.3119      1.00000
     44     -11.6302      1.00000
     45     -11.6209      1.00000
     46     -11.5683      1.00000
     47     -10.9391      1.00000
     48     -10.9213      1.00000
     49     -10.6678      1.00000
     50     -10.5883      1.00000
     51     -10.5717      1.00000
     52     -10.4993      1.00000
     53     -10.4876      1.00000
     54     -10.4377      1.00000
     55     -10.3545      1.00000
     56     -10.1023      1.00000
     57      -9.8961      1.00000
     58      -9.6070      1.00000
     59      -9.5497      1.00000
     60      -9.4528      1.00000
     61      -9.4166      1.00000
     62      -9.4077      1.00000
     63      -9.3777      1.00000
     64      -9.3707      1.00000
     65      -9.2659      1.00000
     66      -9.1638      1.00000
     67      -9.1399      1.00000
     68      -9.1140      1.00000
     69      -8.8645      1.00000
     70      -8.8586      1.00000
     71      -8.8010      1.00000
     72      -8.5948      1.00000
     73      -8.5253      1.00000
     74      -8.1916      1.00000
     75      -8.1689      1.00000
     76      -8.0745      1.00000
     77      -7.8563      1.00000
     78      -7.8354      1.00000
     79      -7.8225      1.00000
     80      -7.7091      1.00000
     81      -7.6946      1.00000
     82      -7.5959      1.00000
     83      -7.5291      1.00000
     84      -7.3489      1.00000
     85      -7.1669      1.00000
     86      -6.9038      1.00000
     87      -6.8944      1.00000
     88      -6.5912      1.00000
     89      -6.5498      1.00000
     90      -6.4047      1.00000
     91      -6.3009      1.00000
     92      -6.2461      1.00000
     93      -6.1997      1.00000
     94      -6.0025      1.00000
     95      -5.5306      1.00000
     96      -5.4637      1.00000
     97      -5.3128      1.00000
     98      -5.2080      1.00000
     99      -5.0459      1.00000
    100      -4.7225      1.00000
    101      -4.6703      1.00000
    102      -4.4232      1.00000
    103      -4.1942      1.00000
    104      -3.8422      1.00000
    105      -3.6338      1.00000
    106      -3.4155      1.00000
    107      -2.2915      0.00000
    108      -1.5086      0.00000
    109      -1.2691      0.00000
    110      -1.2615      0.00000
    111      -1.0335      0.00000
    112      -0.9768      0.00000
    113      -0.8673      0.00000
    114      -0.7990      0.00000
    115      -0.2603      0.00000
    116       0.2050      0.00000
    117       0.2402      0.00000
    118       0.3617      0.00000
    119       0.6997      0.00000
    120       0.8955      0.00000
    121       0.9256      0.00000
    122       1.0474      0.00000
    123       1.1757      0.00000
    124       1.5172      0.00000
    125       1.5748      0.00000
    126       1.7177      0.00000
    127       1.7801      0.00000
    128       1.8305      0.00000
    129       1.9531      0.00000
    130       2.0031      0.00000
    131       2.1756      0.00000
    132       2.2789      0.00000
    133       2.4247      0.00000
    134       2.4329      0.00000
    135       2.4986      0.00000
    136       2.6028      0.00000
    137       2.6193      0.00000
    138       2.7108      0.00000
    139       2.7596      0.00000
    140       2.8767      0.00000
    141       3.0479      0.00000
    142       3.0875      0.00000
    143       3.1748      0.00000
    144       3.2267      0.00000
    145       3.2397      0.00000
    146       3.3006      0.00000
    147       3.3550      0.00000
    148       3.4601      0.00000
    149       3.5350      0.00000
    150       3.7001      0.00000
    151       3.7201      0.00000
    152       3.7544      0.00000
    153       3.8359      0.00000
    154       3.8852      0.00000
    155       3.9406      0.00000
    156       3.9807      0.00000
    157       4.0008      0.00000
    158       4.0224      0.00000
    159       4.0401      0.00000
    160       4.0800      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3879      1.00000
      2     -21.8292      1.00000
      3     -21.6398      1.00000
      4     -21.6048      1.00000
      5     -21.2772      1.00000
      6     -21.2301      1.00000
      7     -21.0548      1.00000
      8     -20.1699      1.00000
      9     -20.1237      1.00000
     10     -19.6153      1.00000
     11     -19.5893      1.00000
     12     -19.4139      1.00000
     13     -19.0930      1.00000
     14     -19.0544      1.00000
     15     -19.0500      1.00000
     16     -19.0372      1.00000
     17     -18.3652      1.00000
     18     -18.3456      1.00000
     19     -18.0149      1.00000
     20     -17.0707      1.00000
     21     -17.0218      1.00000
     22     -16.9482      1.00000
     23     -16.9344      1.00000
     24     -16.4736      1.00000
     25     -16.4615      1.00000
     26     -15.6077      1.00000
     27     -15.6072      1.00000
     28     -15.2479      1.00000
     29     -15.2360      1.00000
     30     -15.1899      1.00000
     31     -15.0998      1.00000
     32     -15.0670      1.00000
     33     -14.6967      1.00000
     34     -14.6958      1.00000
     35     -13.7234      1.00000
     36     -13.7233      1.00000
     37     -13.2336      1.00000
     38     -12.6228      1.00000
     39     -12.5787      1.00000
     40     -12.4529      1.00000
     41     -12.4476      1.00000
     42     -12.1033      1.00000
     43     -12.0985      1.00000
     44     -11.7200      1.00000
     45     -11.6813      1.00000
     46     -11.2441      1.00000
     47     -11.2235      1.00000
     48     -11.0158      1.00000
     49     -11.0042      1.00000
     50     -10.9259      1.00000
     51     -10.8973      1.00000
     52     -10.6356      1.00000
     53     -10.1709      1.00000
     54     -10.1478      1.00000
     55     -10.0832      1.00000
     56      -9.9906      1.00000
     57      -9.6944      1.00000
     58      -9.6879      1.00000
     59      -9.6687      1.00000
     60      -9.5900      1.00000
     61      -9.5660      1.00000
     62      -9.5521      1.00000
     63      -9.3110      1.00000
     64      -9.2983      1.00000
     65      -9.2816      1.00000
     66      -9.2417      1.00000
     67      -9.1205      1.00000
     68      -9.1108      1.00000
     69      -9.1091      1.00000
     70      -8.9378      1.00000
     71      -8.8739      1.00000
     72      -8.6036      1.00000
     73      -8.5848      1.00000
     74      -8.2698      1.00000
     75      -8.0998      1.00000
     76      -7.8663      1.00000
     77      -7.8419      1.00000
     78      -7.7893      1.00000
     79      -7.7632      1.00000
     80      -7.7541      1.00000
     81      -7.4467      1.00000
     82      -7.3332      1.00000
     83      -7.3217      1.00000
     84      -7.2647      1.00000
     85      -7.1610      1.00000
     86      -7.0137      1.00000
     87      -6.9851      1.00000
     88      -6.7163      1.00000
     89      -6.6891      1.00000
     90      -6.6301      1.00000
     91      -6.5891      1.00000
     92      -6.1163      1.00000
     93      -6.0577      1.00000
     94      -6.0433      1.00000
     95      -6.0273      1.00000
     96      -5.7463      1.00000
     97      -4.9738      1.00000
     98      -4.8385      1.00000
     99      -4.7075      1.00000
    100      -4.6719      1.00000
    101      -4.4829      1.00000
    102      -4.3517      1.00000
    103      -4.1109      1.00000
    104      -4.0547      1.00000
    105      -3.7543      1.00000
    106      -3.4649      1.00000
    107      -1.9498      0.00000
    108      -1.7701      0.00000
    109      -1.4789      0.00000
    110      -1.3547      0.00000
    111      -1.3350      0.00000
    112      -1.2918      0.00000
    113      -0.6775      0.00000
    114      -0.4709      0.00000
    115      -0.2348      0.00000
    116       0.0532      0.00000
    117       0.5976      0.00000
    118       0.6930      0.00000
    119       0.7711      0.00000
    120       1.0247      0.00000
    121       1.0975      0.00000
    122       1.1803      0.00000
    123       1.2538      0.00000
    124       1.3417      0.00000
    125       1.4450      0.00000
    126       1.6155      0.00000
    127       1.7481      0.00000
    128       1.8472      0.00000
    129       1.8573      0.00000
    130       1.8932      0.00000
    131       2.0421      0.00000
    132       2.2260      0.00000
    133       2.2492      0.00000
    134       2.3020      0.00000
    135       2.4846      0.00000
    136       2.6052      0.00000
    137       2.6391      0.00000
    138       2.7729      0.00000
    139       2.7856      0.00000
    140       2.8333      0.00000
    141       2.8396      0.00000
    142       2.8513      0.00000
    143       2.9247      0.00000
    144       3.1071      0.00000
    145       3.3163      0.00000
    146       3.3390      0.00000
    147       3.3808      0.00000
    148       3.4081      0.00000
    149       3.4271      0.00000
    150       3.5899      0.00000
    151       3.6320      0.00000
    152       3.6780      0.00000
    153       3.7372      0.00000
    154       3.9013      0.00000
    155       3.9326      0.00000
    156       3.9539      0.00000
    157       4.1072      0.00000
    158       4.2112      0.00000
    159       4.2581      0.00000
    160       4.2861      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2081      1.00000
      2     -22.1172      1.00000
      3     -21.9549      1.00000
      4     -21.4030      1.00000
      5     -21.0444      1.00000
      6     -21.0160      1.00000
      7     -20.4944      1.00000
      8     -20.4644      1.00000
      9     -20.2845      1.00000
     10     -20.2825      1.00000
     11     -19.9551      1.00000
     12     -19.8919      1.00000
     13     -18.8819      1.00000
     14     -18.8142      1.00000
     15     -18.3359      1.00000
     16     -18.3169      1.00000
     17     -18.1474      1.00000
     18     -18.1399      1.00000
     19     -17.8140      1.00000
     20     -17.7960      1.00000
     21     -17.2568      1.00000
     22     -17.2371      1.00000
     23     -17.1583      1.00000
     24     -17.1340      1.00000
     25     -16.1148      1.00000
     26     -15.8787      1.00000
     27     -15.8676      1.00000
     28     -15.8393      1.00000
     29     -15.2291      1.00000
     30     -14.5494      1.00000
     31     -14.5309      1.00000
     32     -14.2739      1.00000
     33     -13.9733      1.00000
     34     -13.9497      1.00000
     35     -13.8235      1.00000
     36     -13.8011      1.00000
     37     -13.6023      1.00000
     38     -13.5771      1.00000
     39     -13.3683      1.00000
     40     -12.6370      1.00000
     41     -12.1673      1.00000
     42     -12.1409      1.00000
     43     -12.0662      1.00000
     44     -12.0193      1.00000
     45     -11.6633      1.00000
     46     -11.6585      1.00000
     47     -11.1354      1.00000
     48     -11.1243      1.00000
     49     -10.7889      1.00000
     50     -10.7326      1.00000
     51     -10.5344      1.00000
     52     -10.2066      1.00000
     53     -10.2004      1.00000
     54     -10.1687      1.00000
     55     -10.0211      1.00000
     56      -9.9925      1.00000
     57      -9.9885      1.00000
     58      -9.8034      1.00000
     59      -9.7942      1.00000
     60      -9.7633      1.00000
     61      -9.7555      1.00000
     62      -9.4530      1.00000
     63      -9.4159      1.00000
     64      -9.0832      1.00000
     65      -9.0443      1.00000
     66      -9.0240      1.00000
     67      -8.9683      1.00000
     68      -8.8961      1.00000
     69      -8.7065      1.00000
     70      -8.6972      1.00000
     71      -8.5587      1.00000
     72      -8.5478      1.00000
     73      -8.4764      1.00000
     74      -8.4579      1.00000
     75      -8.4551      1.00000
     76      -8.3069      1.00000
     77      -8.0935      1.00000
     78      -8.0876      1.00000
     79      -7.9251      1.00000
     80      -7.8304      1.00000
     81      -7.5994      1.00000
     82      -7.5357      1.00000
     83      -7.4420      1.00000
     84      -7.3143      1.00000
     85      -6.9925      1.00000
     86      -6.9178      1.00000
     87      -6.8808      1.00000
     88      -6.5265      1.00000
     89      -6.5135      1.00000
     90      -6.4795      1.00000
     91      -6.4192      1.00000
     92      -5.9257      1.00000
     93      -5.9038      1.00000
     94      -5.7873      1.00000
     95      -5.7735      1.00000
     96      -5.3680      1.00000
     97      -5.3618      1.00000
     98      -5.2187      1.00000
     99      -5.2140      1.00000
    100      -5.1975      1.00000
    101      -4.7194      1.00000
    102      -4.4417      1.00000
    103      -4.1904      1.00000
    104      -3.8199      1.00000
    105      -3.5650      1.00000
    106      -3.2205      1.00000
    107      -2.5614      0.00000
    108      -1.4625      0.00000
    109      -1.2662      0.00000
    110      -1.1842      0.00000
    111      -1.1828      0.00000
    112      -0.6439      0.00000
    113      -0.5506      0.00000
    114      -0.4140      0.00000
    115      -0.3468      0.00000
    116      -0.0766      0.00000
    117      -0.0626      0.00000
    118       0.1275      0.00000
    119       0.5938      0.00000
    120       0.6282      0.00000
    121       0.8644      0.00000
    122       0.9960      0.00000
    123       1.0110      0.00000
    124       1.5012      0.00000
    125       1.6919      0.00000
    126       1.7890      0.00000
    127       1.8764      0.00000
    128       2.1083      0.00000
    129       2.1276      0.00000
    130       2.1776      0.00000
    131       2.2111      0.00000
    132       2.2515      0.00000
    133       2.3366      0.00000
    134       2.4911      0.00000
    135       2.5036      0.00000
    136       2.6774      0.00000
    137       2.8532      0.00000
    138       2.8616      0.00000
    139       2.9631      0.00000
    140       3.0038      0.00000
    141       3.0451      0.00000
    142       3.1453      0.00000
    143       3.1609      0.00000
    144       3.2524      0.00000
    145       3.2527      0.00000
    146       3.2832      0.00000
    147       3.3105      0.00000
    148       3.3627      0.00000
    149       3.4283      0.00000
    150       3.5597      0.00000
    151       3.5726      0.00000
    152       3.6569      0.00000
    153       3.6591      0.00000
    154       3.6745      0.00000
    155       3.7099      0.00000
    156       3.9064      0.00000
    157       3.9618      0.00000
    158       4.0483      0.00000
    159       4.0955      0.00000
    160       4.2012      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2816      1.00000
      2     -22.0769      1.00000
      3     -21.7186      1.00000
      4     -21.6794      1.00000
      5     -20.9812      1.00000
      6     -20.9334      1.00000
      7     -20.6098      1.00000
      8     -20.5774      1.00000
      9     -20.5639      1.00000
     10     -20.0305      1.00000
     11     -19.5118      1.00000
     12     -19.4818      1.00000
     13     -19.3097      1.00000
     14     -19.2968      1.00000
     15     -18.4480      1.00000
     16     -18.4048      1.00000
     17     -17.9260      1.00000
     18     -17.9057      1.00000
     19     -17.7642      1.00000
     20     -17.7193      1.00000
     21     -17.4401      1.00000
     22     -17.4217      1.00000
     23     -17.3363      1.00000
     24     -16.4697      1.00000
     25     -16.4593      1.00000
     26     -15.9688      1.00000
     27     -15.4093      1.00000
     28     -15.4084      1.00000
     29     -15.0943      1.00000
     30     -15.0912      1.00000
     31     -14.8512      1.00000
     32     -14.8390      1.00000
     33     -14.2962      1.00000
     34     -14.2526      1.00000
     35     -13.4428      1.00000
     36     -13.3990      1.00000
     37     -13.1734      1.00000
     38     -13.1722      1.00000
     39     -12.9837      1.00000
     40     -12.9748      1.00000
     41     -12.6090      1.00000
     42     -12.6070      1.00000
     43     -12.1951      1.00000
     44     -11.5779      1.00000
     45     -11.5367      1.00000
     46     -11.3117      1.00000
     47     -11.2814      1.00000
     48     -11.1404      1.00000
     49     -10.6912      1.00000
     50     -10.6618      1.00000
     51     -10.5457      1.00000
     52     -10.3204      1.00000
     53     -10.3127      1.00000
     54     -10.1739      1.00000
     55     -10.1201      1.00000
     56     -10.1066      1.00000
     57      -9.8099      1.00000
     58      -9.7508      1.00000
     59      -9.7503      1.00000
     60      -9.7004      1.00000
     61      -9.6965      1.00000
     62      -9.6451      1.00000
     63      -9.3509      1.00000
     64      -9.3494      1.00000
     65      -9.3166      1.00000
     66      -9.0264      1.00000
     67      -8.9597      1.00000
     68      -8.9559      1.00000
     69      -8.7737      1.00000
     70      -8.5903      1.00000
     71      -8.5869      1.00000
     72      -8.4220      1.00000
     73      -8.3479      1.00000
     74      -8.3209      1.00000
     75      -8.3004      1.00000
     76      -8.2642      1.00000
     77      -8.2527      1.00000
     78      -8.2380      1.00000
     79      -7.9199      1.00000
     80      -7.7326      1.00000
     81      -7.3781      1.00000
     82      -7.3486      1.00000
     83      -7.3234      1.00000
     84      -7.2159      1.00000
     85      -7.1589      1.00000
     86      -7.0637      1.00000
     87      -6.9593      1.00000
     88      -6.9037      1.00000
     89      -6.6122      1.00000
     90      -6.5552      1.00000
     91      -6.2699      1.00000
     92      -5.9951      1.00000
     93      -5.9578      1.00000
     94      -5.6739      1.00000
     95      -5.6474      1.00000
     96      -5.3861      1.00000
     97      -5.3135      1.00000
     98      -5.2925      1.00000
     99      -5.2106      1.00000
    100      -5.1990      1.00000
    101      -4.5109      1.00000
    102      -4.3383      1.00000
    103      -3.9956      1.00000
    104      -3.8851      1.00000
    105      -3.7922      1.00000
    106      -3.4427      1.00000
    107      -2.0336      0.00000
    108      -1.8623      0.00000
    109      -1.2169      0.00000
    110      -1.1831      0.00000
    111      -1.0350      0.00000
    112      -0.7714      0.00000
    113      -0.6764      0.00000
    114      -0.6592      0.00000
    115      -0.6089      0.00000
    116      -0.1001      0.00000
    117       0.2231      0.00000
    118       0.2412      0.00000
    119       0.7799      0.00000
    120       0.9927      0.00000
    121       1.0761      0.00000
    122       1.2443      0.00000
    123       1.2537      0.00000
    124       1.3488      0.00000
    125       1.5833      0.00000
    126       1.5861      0.00000
    127       1.7191      0.00000
    128       1.7975      0.00000
    129       1.9597      0.00000
    130       1.9815      0.00000
    131       2.0548      0.00000
    132       2.2650      0.00000
    133       2.3423      0.00000
    134       2.4292      0.00000
    135       2.5568      0.00000
    136       2.6347      0.00000
    137       2.7306      0.00000
    138       2.7976      0.00000
    139       2.8542      0.00000
    140       2.8682      0.00000
    141       3.0464      0.00000
    142       3.1110      0.00000
    143       3.1690      0.00000
    144       3.2275      0.00000
    145       3.3782      0.00000
    146       3.4195      0.00000
    147       3.5116      0.00000
    148       3.5566      0.00000
    149       3.5934      0.00000
    150       3.6103      0.00000
    151       3.6562      0.00000
    152       3.7423      0.00000
    153       3.7543      0.00000
    154       3.7633      0.00000
    155       3.7824      0.00000
    156       3.8774      0.00000
    157       4.0227      0.00000
    158       4.0973      0.00000
    159       4.1787      0.00000
    160       4.2239      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0428   -7.3904    4.1986   -1.2761   -0.2387   17.5958    0.1472   -0.5323    0.6338   -0.4649
x    -3.0921   -0.0374   -0.0632    0.0616   -0.0091   -2.9776   -0.0110   -0.0070    0.0049    0.0016
x    -0.0966    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0428    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0940   -0.0087    0.0375    0.0377
y    -0.0459   -3.2472   -0.5382   -0.1637   -1.1811   -0.6055
z   204.0428    1.1261   -0.2804    0.0409    0.0090    0.0616    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0776    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1533
z    -0.2833    0.1871   -0.0389    0.0471   -0.1050    0.0013
 total charge-density along one line
x   212.0000  -10.2204    6.1465   -2.0860   -0.4745   19.5123   -0.9960    0.4744   -0.0449   -0.1261
x    -2.6452   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2204    6.1465   -2.0860   -0.4745   19.5123   -0.9960    0.4744   -0.0449   -0.1261
y    -2.6452   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4928  189.2925 -170.3649  153.6427 -139.4241  125.4164 -110.1007   93.9531  -78.3392
z    64.1312  -51.4811   40.4183  -31.2144   24.1187  -18.9364   15.0240  -11.7129    8.7107   -6.1177
z     4.1285   -2.7572    1.8203   -1.1101    0.5392   -0.1266   -0.1115    0.2280   -0.3093    0.4000
z    -0.4766    0.4932   -0.4399    0.3548   -0.2860    0.2511   -0.2333    0.2086   -0.1708    0.1316
z    -0.1036    0.0879   -0.0768    0.0636   -0.0490    0.0373   -0.0308    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.024   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.052   0.000   0.302   0.000   0.028  -0.191  -0.030   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.312   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.052   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.312   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.585  -0.238   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.069   0.006
 -0.024   0.000   0.028   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.369  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.264   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.045   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.262   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.781   0.000   2.645
 22        0.864   1.771   0.000   2.634
 23        0.864   1.782   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.645
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.645
 36        0.864   1.771   0.000   2.634
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.647
 40        0.863   1.786   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.867  89.424   8.029 142.320
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  113.82: CPU time   57.46
    FORLOC:  VPU time    1.24: CPU time    1.24
    FORNL :  VPU time  448.38: CPU time  224.68
    STRESS:  VPU time 1348.91: CPU time  678.19
    FORCOR:  VPU time    8.64: CPU time    8.64
    FORHAR:  VPU time    2.29: CPU time    2.29
    MIXING:  VPU time    0.18: CPU time    0.18
 d Force = 0.3132671E-04[-0.116E-05, 0.638E-04]  d Energy = 0.7934455E-05 0.234E-04
 d Force = 0.7240139E+00[ 0.724E+00, 0.724E+00]  d Ewald  = 0.2027049E+01-0.130E+01


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726409 eV

  energy  without entropy=     -471.726409  energy(sigma->0) =     -471.726409
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40837.70  40792.20 -47536.01    -39.40      0.00      0.00
  Hartree  40262.06  40242.95 -39520.72    -16.54      0.00      0.00
  E(xc)     -779.43   -779.72   -807.37     -0.25      0.00      0.00
  Local   -83383.79 -83328.21  84371.51     48.13      0.00      0.00
  n-local   -216.79   -215.66   -203.35      0.71      0.00      0.00
  augment     20.06     22.05     17.81      1.73      0.00      0.00
  Kinetic   3162.36   3176.01   3583.89      3.47      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.18     -0.19     -0.31     -0.01      0.00      0.00
  in kB       -0.11     -0.11     -0.19      0.00      0.00      0.00
  external pressure =       -0.14 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345847881  0.000939116  0.000000000     0.080995336  0.046754532  0.000000000
    -6.172117284 10.692283533  0.000000000    -0.000007114  0.093521285  0.000000000
     0.000000000  0.000000000 19.983635971     0.000000000  0.000000000  0.050040944

  length of vectors
    12.345847917 12.345847841 19.983635971     0.093521284  0.093521285  0.050040944


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.473E-05 -.490E-04 -.951E+03   0.449E-05 -.278E-04 0.960E+03   0.850E-21 0.142E-23 -.871E+01   -.272E-07 0.152E-07 0.501E-02
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   0.784E-04 -.460E-04 -.871E-03
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   -.784E-04 0.460E-04 -.871E-03
   -.205E+01 0.118E+01 0.163E+02   0.205E+01 -.119E+01 -.163E+02   -.252E-02 0.145E-02 -.241E-01   -.243E-02 0.140E-02 0.464E-03
   0.617E+01 0.685E+01 0.194E+02   -.617E+01 -.686E+01 -.193E+02   0.551E-03 0.215E-01 -.273E-01   0.160E-02 -.361E-02 0.762E-03
   0.112E+02 0.509E+01 0.161E+02   -.112E+02 -.510E+01 -.161E+02   0.202E-01 0.790E-02 -.482E-01   -.759E-03 0.183E-02 0.117E-02
   0.472E+01 -.887E+00 0.126E+02   -.474E+01 0.896E+00 -.126E+02   0.148E-01 -.738E-02 -.179E-01   -.350E-03 -.294E-04 0.143E-02
   -.308E+01 -.253E+01 0.126E+02   0.307E+01 0.253E+01 -.126E+02   -.940E-03 0.246E-02 -.129E-01   -.112E-02 0.957E-03 0.763E-03
   0.654E+00 0.393E+01 0.126E+02   -.653E+00 -.393E+01 -.126E+02   -.260E-02 -.415E-03 -.129E-01   -.139E-02 0.484E-03 0.760E-03
   0.242E+01 0.188E+02 0.240E+02   -.243E+01 -.190E+02 -.240E+02   -.234E-02 0.103E+00 -.483E-01   0.138E-02 0.324E-02 0.149E-02
   0.227E+02 0.214E+02 0.423E+02   -.227E+02 -.216E+02 -.422E+02   0.776E-01 0.262E+00 -.607E-01   -.626E-02 0.104E-02 0.245E-02
   0.268E+02 -.344E+01 0.256E+02   -.271E+02 0.355E+01 -.256E+02   0.269E+00 -.109E+00 -.337E-01   0.626E-03 -.507E-03 0.159E-02
   0.914E+01 -.528E+01 0.136E+02   -.919E+01 0.530E+01 -.136E+02   0.421E-01 -.243E-01 -.121E-01   0.101E-02 -.591E-03 0.527E-03
   0.313E+01 -.365E+01 0.126E+02   -.315E+01 0.366E+01 -.126E+02   0.138E-01 -.915E-02 -.179E-01   -.152E-03 0.313E-03 0.142E-02
   -.592E+01 0.136E+02 0.161E+02   0.592E+01 -.137E+02 -.161E+02   -.120E-02 0.718E-01 -.518E-01   -.121E-02 -.176E-02 0.133E-02
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.369E+02 -.481E+02   -.317E-01 0.613E+00 0.294E+00   0.789E-03 -.268E-02 0.232E-02
   0.237E+02 -.137E+02 0.941E+02   -.243E+02 0.140E+02 -.961E+02   0.637E+00 -.368E+00 0.205E+01   -.210E-02 0.121E-02 0.109E-02
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.229E+00 -.179E+00 -.337E-01   0.750E-03 -.297E-03 0.159E-02
   0.119E+01 -.122E+02 0.161E+02   -.120E+01 0.123E+02 -.161E+02   0.328E-02 -.215E-01 -.482E-01   -.196E-02 -.261E-03 0.116E-02
   -.414E+01 0.192E+01 0.116E+02   0.414E+01 -.193E+01 -.116E+02   0.412E-04 0.974E-02 -.438E-01   -.159E-02 0.829E-03 0.886E-03
   -.193E+02 0.111E+02 0.218E+02   0.193E+02 -.112E+02 -.217E+02   -.507E-01 0.293E-01 -.430E-01   0.164E-02 -.941E-03 0.859E-03
   -.373E+02 -.786E+01 0.478E+02   0.379E+02 0.814E+01 -.481E+02   -.547E+00 -.279E+00 0.294E+00   0.272E-02 0.657E-03 0.232E-02
   -.717E+01 -.303E+02 0.423E+02   0.736E+01 0.305E+02 -.422E+02   -.188E+00 -.198E+00 -.607E-01   -.403E-02 0.490E-02 0.245E-02
   -.285E+01 -.876E+01 0.194E+02   0.286E+01 0.877E+01 -.193E+02   -.183E-01 -.112E-01 -.273E-01   0.393E-02 0.417E-03 0.761E-03
   0.139E+01 -.805E+00 0.134E+02   -.140E+01 0.806E+00 -.134E+02   0.143E-03 -.827E-04 -.180E-01   -.191E-02 0.111E-02 0.518E-03
   -.373E+01 0.262E+01 0.116E+02   0.374E+01 -.262E+01 -.116E+02   -.841E-02 -.491E-02 -.438E-01   -.151E-02 0.970E-03 0.890E-03
   -.148E+02 -.169E+01 0.161E+02   0.148E+02 0.173E+01 -.161E+02   -.628E-01 -.348E-01 -.518E-01   0.922E-03 0.192E-02 0.134E-02
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.903E-01 -.494E-01 -.483E-01   -.211E-02 -.282E-02 0.149E-02
   0.285E+01 0.876E+01 0.194E+02   -.286E+01 -.877E+01 -.193E+02   0.183E-01 0.112E-01 -.273E-01   -.393E-02 -.417E-03 0.761E-03
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.903E-01 0.494E-01 -.483E-01   0.211E-02 0.282E-02 0.149E-02
   0.148E+02 0.169E+01 0.161E+02   -.148E+02 -.173E+01 -.161E+02   0.628E-01 0.348E-01 -.518E-01   -.922E-03 -.192E-02 0.134E-02
   0.373E+01 -.262E+01 0.116E+02   -.374E+01 0.262E+01 -.116E+02   0.841E-02 0.491E-02 -.438E-01   0.151E-02 -.970E-03 0.890E-03
   -.139E+01 0.805E+00 0.134E+02   0.140E+01 -.806E+00 -.134E+02   -.143E-03 0.827E-04 -.180E-01   0.191E-02 -.111E-02 0.518E-03
   -.119E+01 0.122E+02 0.161E+02   0.120E+01 -.123E+02 -.161E+02   -.328E-02 0.215E-01 -.482E-01   0.196E-02 0.261E-03 0.116E-02
   0.717E+01 0.303E+02 0.423E+02   -.736E+01 -.305E+02 -.422E+02   0.188E+00 0.198E+00 -.607E-01   0.403E-02 -.490E-02 0.245E-02
   0.373E+02 0.786E+01 0.478E+02   -.379E+02 -.814E+01 -.481E+02   0.547E+00 0.279E+00 0.294E+00   -.272E-02 -.657E-03 0.232E-02
   0.193E+02 -.111E+02 0.218E+02   -.193E+02 0.112E+02 -.217E+02   0.507E-01 -.293E-01 -.430E-01   -.164E-02 0.941E-03 0.859E-03
   0.414E+01 -.192E+01 0.116E+02   -.414E+01 0.193E+01 -.116E+02   -.412E-04 -.974E-02 -.438E-01   0.159E-02 -.829E-03 0.886E-03
   -.313E+01 0.365E+01 0.126E+02   0.315E+01 -.366E+01 -.126E+02   -.138E-01 0.915E-02 -.179E-01   0.152E-03 -.313E-03 0.142E-02
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.229E+00 0.179E+00 -.337E-01   -.750E-03 0.297E-03 0.159E-02
   -.237E+02 0.137E+02 0.941E+02   0.243E+02 -.140E+02 -.961E+02   -.637E+00 0.368E+00 0.205E+01   0.210E-02 -.121E-02 0.109E-02
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.369E+02 -.481E+02   0.317E-01 -.613E+00 0.294E+00   -.789E-03 0.268E-02 0.232E-02
   0.592E+01 -.136E+02 0.161E+02   -.592E+01 0.137E+02 -.161E+02   0.120E-02 -.718E-01 -.518E-01   0.121E-02 0.176E-02 0.133E-02
   -.654E+00 -.393E+01 0.126E+02   0.653E+00 0.393E+01 -.126E+02   0.260E-02 0.415E-03 -.129E-01   0.139E-02 -.484E-03 0.760E-03
   -.914E+01 0.528E+01 0.136E+02   0.919E+01 -.530E+01 -.136E+02   -.421E-01 0.243E-01 -.121E-01   -.101E-02 0.591E-03 0.527E-03
   -.268E+02 0.344E+01 0.256E+02   0.271E+02 -.355E+01 -.256E+02   -.269E+00 0.109E+00 -.337E-01   -.626E-03 0.507E-03 0.159E-02
   -.227E+02 -.214E+02 0.423E+02   0.227E+02 0.216E+02 -.422E+02   -.776E-01 -.262E+00 -.607E-01   0.626E-02 -.104E-02 0.245E-02
   -.242E+01 -.188E+02 0.240E+02   0.243E+01 0.190E+02 -.240E+02   0.234E-02 -.103E+00 -.483E-01   -.138E-02 -.324E-02 0.149E-02
   0.205E+01 -.118E+01 0.163E+02   -.205E+01 0.119E+01 -.163E+02   0.252E-02 -.145E-02 -.241E-01   0.243E-02 -.140E-02 0.464E-03
   0.308E+01 0.253E+01 0.126E+02   -.307E+01 -.253E+01 -.126E+02   0.940E-03 -.246E-02 -.129E-01   0.112E-02 -.957E-03 0.763E-03
   -.472E+01 0.887E+00 0.126E+02   0.474E+01 -.896E+00 -.126E+02   -.148E-01 0.738E-02 -.179E-01   0.350E-03 0.294E-04 0.143E-02
   -.112E+02 -.509E+01 0.161E+02   0.112E+02 0.510E+01 -.161E+02   -.202E-01 -.790E-02 -.482E-01   0.759E-03 -.183E-02 0.117E-02
   -.617E+01 -.685E+01 0.194E+02   0.617E+01 0.686E+01 -.193E+02   -.551E-03 -.215E-01 -.273E-01   -.160E-02 0.361E-02 0.762E-03
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.290E-03 0.999E+01   0.219E-12 0.107E-12 0.323E-12   0.197E-15 -.153E-15 -.101E+02   -.482E-07 0.379E-07 0.669E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85233      6.05937     12.26277         0.000000      0.000000      0.001484
      1.07516      6.50807     13.52198        -0.000777      0.000449      0.013680
      2.62950      5.61067     13.52198         0.000777     -0.000449      0.013680
      0.00014     -0.00008      9.90943        -0.001364      0.000788      0.000543
     -1.23477      2.13699      9.90811        -0.000737      0.001026      0.000295
     -2.47002      4.27664      9.92810        -0.002683      0.001646     -0.000255
     -3.70372      6.41546      9.93584        -0.001761      0.001447     -0.000951
     -4.93746      8.55381      9.92637        -0.003585      0.002043     -0.000054
      2.46930     -0.00001      9.92637        -0.003562      0.002083     -0.000054
      1.23402      2.13681      9.91765        -0.002872      0.001465     -0.000810
     -0.00257      4.27104      9.93021        -0.003747      0.003293     -0.002229
     -1.23827      6.41611      9.95226         0.000115      0.001150     -0.000775
     -2.46886      8.55421      9.93765        -0.001218      0.000703      0.000889
      4.93804      0.00072      9.93584        -0.002134      0.000802     -0.000951
      3.70435      2.13694      9.93910        -0.001601     -0.000392     -0.000898
      2.47006      4.26880      9.96679        -0.003421      0.001138     -0.002530
      1.22927      6.41909      9.97301        -0.004118      0.002377     -0.000149
     -0.00192      8.55754      9.95226        -0.000938     -0.000675     -0.000775
      7.40716      0.00171      9.92810        -0.002767      0.001501     -0.000255
      6.17281      2.13908      9.93442        -0.002485      0.001566     -0.000211
      4.93926      4.27713      9.94711         0.000483     -0.000279      0.000518
      3.71187      6.41969      9.96679        -0.002696      0.002394     -0.002530
      2.47362      8.55993      9.93021        -0.004726      0.001598     -0.002229
      9.87778      0.00179      9.90811        -0.001257      0.000125      0.000295
      8.64214      2.13928      9.91929        -0.003073      0.001774      0.000613
      7.40764      4.27787      9.93442        -0.002599      0.001369     -0.000211
      6.17527      6.41670      9.93910        -0.000461      0.001583     -0.000898
      4.94021      8.55612      9.91765        -0.002704      0.001754     -0.000810
     -0.00099      1.42467      9.90811         0.001257     -0.000125      0.000295
     -1.23554      3.56262      9.91765         0.002704     -0.001754     -0.000810
     -2.47060      5.70204      9.93910         0.000461     -0.001583     -0.000898
     -3.70297      7.84087      9.93442         0.002599     -0.001369     -0.000211
     -4.93747      9.97946      9.91929         0.003073     -0.001774      0.000613
      2.46963      1.42474      9.92810         0.002767     -0.001501     -0.000255
      1.23105      3.55881      9.93021         0.004726     -0.001598     -0.002229
     -0.00720      5.69905      9.96679         0.002696     -0.002394     -0.002530
     -1.23459      7.84160      9.94711        -0.000483      0.000279      0.000518
     -2.46814      9.97965      9.93442         0.002485     -0.001566     -0.000211
      4.93875      1.42573      9.93584         0.002134     -0.000802     -0.000951
      3.70659      3.56120      9.95226         0.000938      0.000675     -0.000775
      2.47540      5.69964      9.97301         0.004118     -0.002377     -0.000149
      1.23461      7.84993      9.96679         0.003421     -0.001138     -0.002530
      0.00032      9.98180      9.93910         0.001601      0.000392     -0.000898
      7.40748      1.42646      9.92637         0.003562     -0.002083     -0.000054
      6.17353      3.56453      9.93765         0.001218     -0.000703      0.000889
      4.94294      5.70262      9.95226        -0.000115     -0.001150     -0.000775
      3.70724      7.84770      9.93021         0.003747     -0.003293     -0.002229
      2.47064      9.98193      9.91765         0.002872     -0.001465     -0.000810
      9.87665      1.42653      9.90943         0.001364     -0.000788      0.000543
      8.64213      3.56493      9.92637         0.003585     -0.002043     -0.000054
      7.40839      5.70328      9.93584         0.001761     -0.001447     -0.000951
      6.17469      7.84209      9.92810         0.002683     -0.001646     -0.000255
      4.93944      9.98175      9.90811         0.000737     -0.001026      0.000295
 -----------------------------------------------------------------------------------
    total drift:                               -0.001802      0.000290     -0.002948


--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.000008  1 .order   -0.000036   -0.000070   -0.000001
  (g-gl).g = 0.131E-03      g.g   = 0.312E-03  gl.gl    = 0.154E-03
 g(Force)  = 0.186E-03   g(Stress)= 0.127E-03 ortho     = 0.463E-04
 gamma     =   0.85146
 trial     =   0.20001
 opt step  =   0.20238  (harmonic =   0.20238) maximal distance =0.00065299
 next E    =  -471.726437   (d E  =  -0.00004)


--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.95: CPU time    1.95
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.36: CPU time    1.36
    ORTHCH:  VPU time  182.63: CPU time   91.78
     LOOP+:  VPU time 5591.97: CPU time 2875.06


----------------------------------------- Iteration   42(   1)  ---------------------------------------


    POTLOK:  VPU time    9.10: CPU time    9.10
    SETDIJ:  VPU time    0.35: CPU time    0.34
    EDDAV :  VPU time 1375.15: CPU time  712.10
 BZINTS: Fermi energy: -3.206342;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.84: CPU time   57.39
    MIXING:  VPU time    0.17: CPU time    0.17
    ------------------------------------------
      LOOP:  VPU time 1498.64: CPU time  779.14

 eigenvalue-minimisations  :  4048
 total energy-change (2. order) :-0.4717264E+03  (-0.1116397E-05)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9572989 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.37860E-03    rms(broyden)= 0.37856E-03
  rms(prec ) = 0.43603E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34093.87991052
  -1/2 Hartree   DENC   =    -40984.67093859
  -V(xc)+E(xc)   XCENC  =       726.57812338
  PAW double counting   =      4093.59176094    -4131.93738318
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.60773363
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72640696 eV

  energy without entropy =     -471.72640696  energy(sigma->0) =     -471.72640696


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   42(   2)  ---------------------------------------


    POTLOK:  VPU time    9.06: CPU time    9.13
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 1378.41: CPU time  709.80
 BZINTS: Fermi energy: -3.206442;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1387.86: CPU time  719.30

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) : 0.3727419E-06  (-0.3690047E-06)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9572989 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34093.87991052
  -1/2 Hartree   DENC   =    -40984.61503140
  -V(xc)+E(xc)   XCENC  =       726.57708237
  PAW double counting   =      4093.58873684    -4131.93456083
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.66239769
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72640658 eV

  energy without entropy =     -471.72640658  energy(sigma->0) =     -471.72640658


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2180       2 -39.5361       3 -39.5361       4 -58.3136       5 -58.3176
       6 -58.3201       7 -58.3146       8 -58.3149       9 -58.3149      10 -58.3214
      11 -58.3875      12 -58.3515      13 -58.3229      14 -58.3146      15 -58.3245
      16 -58.5426      17 -58.7295      18 -58.3515      19 -58.3201      20 -58.3197
      21 -58.3577      22 -58.5426      23 -58.3876      24 -58.3176      25 -58.3227
      26 -58.3197      27 -58.3245      28 -58.3214      29 -58.3175      30 -58.3213
      31 -58.3244      32 -58.3196      33 -58.3226      34 -58.3200      35 -58.3875
      36 -58.5425      37 -58.3576      38 -58.3196      39 -58.3145      40 -58.3514
      41 -58.7293      42 -58.5425      43 -58.3244      44 -58.3148      45 -58.3228
      46 -58.3514      47 -58.3875      48 -58.3213      49 -58.3134      50 -58.3148
      51 -58.3145      52 -58.3200      53 -58.3175
 
 
 
 E-fermi :  -3.2064     XC(G=0):  -2.3413     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4253      1.00000
      2     -21.6023      1.00000
      3     -21.4804      1.00000
      4     -21.4714      1.00000
      5     -21.4398      1.00000
      6     -21.4391      1.00000
      7     -21.4288      1.00000
      8     -19.7066      1.00000
      9     -19.6516      1.00000
     10     -19.6285      1.00000
     11     -19.6172      1.00000
     12     -19.6121      1.00000
     13     -19.6110      1.00000
     14     -18.7889      1.00000
     15     -18.7536      1.00000
     16     -18.7340      1.00000
     17     -18.7245      1.00000
     18     -18.7171      1.00000
     19     -18.7119      1.00000
     20     -16.6344      1.00000
     21     -16.6080      1.00000
     22     -16.5838      1.00000
     23     -16.5806      1.00000
     24     -16.5533      1.00000
     25     -16.5518      1.00000
     26     -15.6137      1.00000
     27     -15.6009      1.00000
     28     -15.5976      1.00000
     29     -15.5636      1.00000
     30     -15.5618      1.00000
     31     -15.5610      1.00000
     32     -14.2588      1.00000
     33     -14.2496      1.00000
     34     -14.2397      1.00000
     35     -14.2347      1.00000
     36     -14.2214      1.00000
     37     -14.2184      1.00000
     38     -11.9050      1.00000
     39     -11.8781      1.00000
     40     -11.8668      1.00000
     41     -11.8650      1.00000
     42     -11.8441      1.00000
     43     -11.8439      1.00000
     44     -11.7700      1.00000
     45     -11.7676      1.00000
     46     -11.7345      1.00000
     47     -11.7279      1.00000
     48     -11.7241      1.00000
     49     -11.7211      1.00000
     50     -10.6750      1.00000
     51     -10.3877      1.00000
     52     -10.3826      1.00000
     53     -10.3756      1.00000
     54     -10.3678      1.00000
     55     -10.3545      1.00000
     56     -10.3524      1.00000
     57      -9.9031      1.00000
     58      -9.4493      1.00000
     59      -9.4043      1.00000
     60      -9.3613      1.00000
     61      -9.3606      1.00000
     62      -9.3528      1.00000
     63      -9.1413      1.00000
     64      -9.1214      1.00000
     65      -9.1201      1.00000
     66      -9.0840      1.00000
     67      -9.0707      1.00000
     68      -9.0701      1.00000
     69      -9.0699      1.00000
     70      -9.0636      1.00000
     71      -9.0631      1.00000
     72      -9.0379      1.00000
     73      -9.0280      1.00000
     74      -9.0248      1.00000
     75      -8.1292      1.00000
     76      -7.7459      1.00000
     77      -7.4681      1.00000
     78      -7.4655      1.00000
     79      -7.4532      1.00000
     80      -7.4334      1.00000
     81      -7.4236      1.00000
     82      -7.4058      1.00000
     83      -7.3118      1.00000
     84      -7.2698      1.00000
     85      -7.2562      1.00000
     86      -7.2477      1.00000
     87      -7.1493      1.00000
     88      -7.0488      1.00000
     89      -6.4452      1.00000
     90      -6.4151      1.00000
     91      -6.3995      1.00000
     92      -6.3624      1.00000
     93      -6.3518      1.00000
     94      -6.3397      1.00000
     95      -5.9579      1.00000
     96      -5.9576      1.00000
     97      -4.8062      1.00000
     98      -4.5439      1.00000
     99      -4.4805      1.00000
    100      -4.4739      1.00000
    101      -4.3813      1.00000
    102      -4.3809      1.00000
    103      -4.2673      1.00000
    104      -4.1869      1.00000
    105      -3.7388      1.00000
    106      -3.4773      1.00000
    107      -1.8617      0.00000
    108      -1.6701      0.00000
    109      -1.6237      0.00000
    110      -1.5909      0.00000
    111      -1.5754      0.00000
    112      -1.5745      0.00000
    113      -0.4280      0.00000
    114       0.1464      0.00000
    115       0.1921      0.00000
    116       0.2557      0.00000
    117       0.2678      0.00000
    118       0.2715      0.00000
    119       0.4782      0.00000
    120       0.5586      0.00000
    121       1.2596      0.00000
    122       1.2931      0.00000
    123       1.5518      0.00000
    124       1.7710      0.00000
    125       1.7811      0.00000
    126       1.7840      0.00000
    127       1.7850      0.00000
    128       1.8330      0.00000
    129       1.9584      0.00000
    130       1.9723      0.00000
    131       1.9744      0.00000
    132       1.9889      0.00000
    133       1.9961      0.00000
    134       2.0891      0.00000
    135       2.2675      0.00000
    136       2.3440      0.00000
    137       2.6349      0.00000
    138       2.6353      0.00000
    139       2.6666      0.00000
    140       2.7203      0.00000
    141       2.9451      0.00000
    142       3.0256      0.00000
    143       3.0305      0.00000
    144       3.0617      0.00000
    145       3.0629      0.00000
    146       3.0669      0.00000
    147       3.0922      0.00000
    148       3.2870      0.00000
    149       3.4512      0.00000
    150       3.5191      0.00000
    151       3.8215      0.00000
    152       3.9581      0.00000
    153       3.9651      0.00000
    154       3.9669      0.00000
    155       3.9731      0.00000
    156       4.0024      0.00000
    157       4.1898      0.00000
    158       4.2679      0.00000
    159       4.2758      0.00000
    160       4.2896      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3887      1.00000
      2     -21.8296      1.00000
      3     -21.6373      1.00000
      4     -21.6094      1.00000
      5     -21.2737      1.00000
      6     -21.2343      1.00000
      7     -21.0559      1.00000
      8     -20.1668      1.00000
      9     -20.1285      1.00000
     10     -19.6076      1.00000
     11     -19.5966      1.00000
     12     -19.4163      1.00000
     13     -19.0888      1.00000
     14     -19.0589      1.00000
     15     -19.0480      1.00000
     16     -19.0405      1.00000
     17     -18.3597      1.00000
     18     -18.3513      1.00000
     19     -18.0183      1.00000
     20     -17.0685      1.00000
     21     -17.0297      1.00000
     22     -16.9433      1.00000
     23     -16.9389      1.00000
     24     -16.4672      1.00000
     25     -16.4621      1.00000
     26     -15.6132      1.00000
     27     -15.6063      1.00000
     28     -15.2518      1.00000
     29     -15.2428      1.00000
     30     -15.1839      1.00000
     31     -15.0970      1.00000
     32     -15.0702      1.00000
     33     -14.6975      1.00000
     34     -14.6956      1.00000
     35     -13.7256      1.00000
     36     -13.7231      1.00000
     37     -13.2350      1.00000
     38     -12.6135      1.00000
     39     -12.5833      1.00000
     40     -12.4533      1.00000
     41     -12.4496      1.00000
     42     -12.1086      1.00000
     43     -12.1040      1.00000
     44     -11.7161      1.00000
     45     -11.6852      1.00000
     46     -11.2344      1.00000
     47     -11.2252      1.00000
     48     -11.0169      1.00000
     49     -11.0089      1.00000
     50     -10.9257      1.00000
     51     -10.9041      1.00000
     52     -10.6301      1.00000
     53     -10.1543      1.00000
     54     -10.1498      1.00000
     55     -10.0912      1.00000
     56      -9.9976      1.00000
     57      -9.7019      1.00000
     58      -9.6942      1.00000
     59      -9.6549      1.00000
     60      -9.5909      1.00000
     61      -9.5759      1.00000
     62      -9.5578      1.00000
     63      -9.3064      1.00000
     64      -9.3024      1.00000
     65      -9.2730      1.00000
     66      -9.2355      1.00000
     67      -9.1356      1.00000
     68      -9.1147      1.00000
     69      -9.1102      1.00000
     70      -8.9386      1.00000
     71      -8.8711      1.00000
     72      -8.6037      1.00000
     73      -8.5902      1.00000
     74      -8.2357      1.00000
     75      -8.1001      1.00000
     76      -7.9125      1.00000
     77      -7.8629      1.00000
     78      -7.7711      1.00000
     79      -7.7561      1.00000
     80      -7.6912      1.00000
     81      -7.5602      1.00000
     82      -7.3382      1.00000
     83      -7.3221      1.00000
     84      -7.2033      1.00000
     85      -7.1226      1.00000
     86      -7.0312      1.00000
     87      -7.0115      1.00000
     88      -6.7035      1.00000
     89      -6.6770      1.00000
     90      -6.6402      1.00000
     91      -6.5968      1.00000
     92      -6.1155      1.00000
     93      -6.0615      1.00000
     94      -6.0304      1.00000
     95      -6.0103      1.00000
     96      -5.7825      1.00000
     97      -4.9741      1.00000
     98      -4.8313      1.00000
     99      -4.7463      1.00000
    100      -4.6787      1.00000
    101      -4.4685      1.00000
    102      -4.2032      1.00000
    103      -4.1711      1.00000
    104      -4.1273      1.00000
    105      -3.7291      1.00000
    106      -3.4875      1.00000
    107      -1.8701      0.00000
    108      -1.8085      0.00000
    109      -1.5241      0.00000
    110      -1.3771      0.00000
    111      -1.3210      0.00000
    112      -1.2877      0.00000
    113      -0.7196      0.00000
    114      -0.3755      0.00000
    115      -0.2495      0.00000
    116       0.0382      0.00000
    117       0.5643      0.00000
    118       0.7004      0.00000
    119       0.7472      0.00000
    120       1.0497      0.00000
    121       1.1001      0.00000
    122       1.1547      0.00000
    123       1.2295      0.00000
    124       1.3868      0.00000
    125       1.5326      0.00000
    126       1.6002      0.00000
    127       1.7201      0.00000
    128       1.7977      0.00000
    129       1.8573      0.00000
    130       1.8834      0.00000
    131       2.1011      0.00000
    132       2.2020      0.00000
    133       2.2486      0.00000
    134       2.3213      0.00000
    135       2.5249      0.00000
    136       2.6073      0.00000
    137       2.6123      0.00000
    138       2.7849      0.00000
    139       2.7946      0.00000
    140       2.8243      0.00000
    141       2.8283      0.00000
    142       2.9020      0.00000
    143       2.9342      0.00000
    144       3.1027      0.00000
    145       3.1678      0.00000
    146       3.3216      0.00000
    147       3.3529      0.00000
    148       3.4037      0.00000
    149       3.4722      0.00000
    150       3.6062      0.00000
    151       3.6446      0.00000
    152       3.6665      0.00000
    153       3.7147      0.00000
    154       3.9212      0.00000
    155       3.9653      0.00000
    156       4.0252      0.00000
    157       4.0710      0.00000
    158       4.2462      0.00000
    159       4.2574      0.00000
    160       4.2827      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2827      1.00000
      2     -22.0770      1.00000
      3     -21.7157      1.00000
      4     -21.6838      1.00000
      5     -20.9785      1.00000
      6     -20.9379      1.00000
      7     -20.6109      1.00000
      8     -20.5743      1.00000
      9     -20.5680      1.00000
     10     -20.0318      1.00000
     11     -19.5024      1.00000
     12     -19.4907      1.00000
     13     -19.3058      1.00000
     14     -19.3007      1.00000
     15     -18.4469      1.00000
     16     -18.4101      1.00000
     17     -17.9215      1.00000
     18     -17.9120      1.00000
     19     -17.7608      1.00000
     20     -17.7250      1.00000
     21     -17.4351      1.00000
     22     -17.4275      1.00000
     23     -17.3403      1.00000
     24     -16.4619      1.00000
     25     -16.4607      1.00000
     26     -15.9660      1.00000
     27     -15.4133      1.00000
     28     -15.4079      1.00000
     29     -15.0955      1.00000
     30     -15.0923      1.00000
     31     -14.8544      1.00000
     32     -14.8468      1.00000
     33     -14.2895      1.00000
     34     -14.2567      1.00000
     35     -13.4359      1.00000
     36     -13.4034      1.00000
     37     -13.1767      1.00000
     38     -13.1733      1.00000
     39     -12.9807      1.00000
     40     -12.9758      1.00000
     41     -12.6123      1.00000
     42     -12.6090      1.00000
     43     -12.1971      1.00000
     44     -11.5754      1.00000
     45     -11.5416      1.00000
     46     -11.3096      1.00000
     47     -11.2867      1.00000
     48     -11.1414      1.00000
     49     -10.6756      1.00000
     50     -10.6597      1.00000
     51     -10.5522      1.00000
     52     -10.3228      1.00000
     53     -10.3167      1.00000
     54     -10.1682      1.00000
     55     -10.1147      1.00000
     56     -10.1118      1.00000
     57      -9.7971      1.00000
     58      -9.7644      1.00000
     59      -9.7508      1.00000
     60      -9.6989      1.00000
     61      -9.6964      1.00000
     62      -9.6609      1.00000
     63      -9.3539      1.00000
     64      -9.3503      1.00000
     65      -9.3143      1.00000
     66      -9.0402      1.00000
     67      -8.9615      1.00000
     68      -8.9487      1.00000
     69      -8.7984      1.00000
     70      -8.5938      1.00000
     71      -8.5567      1.00000
     72      -8.3974      1.00000
     73      -8.3639      1.00000
     74      -8.3238      1.00000
     75      -8.3063      1.00000
     76      -8.2582      1.00000
     77      -8.2565      1.00000
     78      -8.2353      1.00000
     79      -7.9038      1.00000
     80      -7.6505      1.00000
     81      -7.5490      1.00000
     82      -7.3858      1.00000
     83      -7.3487      1.00000
     84      -7.2304      1.00000
     85      -7.0953      1.00000
     86      -7.0378      1.00000
     87      -6.9329      1.00000
     88      -6.8473      1.00000
     89      -6.6118      1.00000
     90      -6.5583      1.00000
     91      -6.2690      1.00000
     92      -6.0430      1.00000
     93      -5.9507      1.00000
     94      -5.6620      1.00000
     95      -5.6216      1.00000
     96      -5.4626      1.00000
     97      -5.3194      1.00000
     98      -5.2780      1.00000
     99      -5.2132      1.00000
    100      -5.1928      1.00000
    101      -4.5082      1.00000
    102      -4.2074      1.00000
    103      -4.0588      1.00000
    104      -3.9884      1.00000
    105      -3.6938      1.00000
    106      -3.4977      1.00000
    107      -1.9460      0.00000
    108      -1.8959      0.00000
    109      -1.3388      0.00000
    110      -1.0845      0.00000
    111      -1.0577      0.00000
    112      -0.8000      0.00000
    113      -0.6771      0.00000
    114      -0.6466      0.00000
    115      -0.6070      0.00000
    116      -0.1070      0.00000
    117       0.2155      0.00000
    118       0.3302      0.00000
    119       0.7033      0.00000
    120       0.8957      0.00000
    121       1.1297      0.00000
    122       1.1999      0.00000
    123       1.3350      0.00000
    124       1.4312      0.00000
    125       1.5577      0.00000
    126       1.5782      0.00000
    127       1.6958      0.00000
    128       1.8099      0.00000
    129       1.8899      0.00000
    130       2.0626      0.00000
    131       2.1074      0.00000
    132       2.3042      0.00000
    133       2.3548      0.00000
    134       2.4121      0.00000
    135       2.5640      0.00000
    136       2.6371      0.00000
    137       2.7247      0.00000
    138       2.7400      0.00000
    139       2.7976      0.00000
    140       2.8864      0.00000
    141       3.0537      0.00000
    142       3.0657      0.00000
    143       3.1779      0.00000
    144       3.2738      0.00000
    145       3.3698      0.00000
    146       3.4249      0.00000
    147       3.4451      0.00000
    148       3.5677      0.00000
    149       3.5866      0.00000
    150       3.6089      0.00000
    151       3.6630      0.00000
    152       3.6839      0.00000
    153       3.7709      0.00000
    154       3.7779      0.00000
    155       3.8116      0.00000
    156       3.8955      0.00000
    157       3.9349      0.00000
    158       3.9988      0.00000
    159       4.2203      0.00000
    160       4.2318      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3166      1.00000
      2     -21.9619      1.00000
      3     -21.8927      1.00000
      4     -21.3800      1.00000
      5     -21.3507      1.00000
      6     -20.8389      1.00000
      7     -20.7735      1.00000
      8     -20.6233      1.00000
      9     -20.0767      1.00000
     10     -20.0710      1.00000
     11     -19.7160      1.00000
     12     -19.6914      1.00000
     13     -18.9956      1.00000
     14     -18.9897      1.00000
     15     -18.6396      1.00000
     16     -18.6237      1.00000
     17     -18.4614      1.00000
     18     -17.6747      1.00000
     19     -17.6242      1.00000
     20     -17.6214      1.00000
     21     -17.5796      1.00000
     22     -17.1257      1.00000
     23     -17.1042      1.00000
     24     -16.9609      1.00000
     25     -16.0007      1.00000
     26     -15.9286      1.00000
     27     -15.5848      1.00000
     28     -15.5845      1.00000
     29     -15.2864      1.00000
     30     -14.8632      1.00000
     31     -14.8359      1.00000
     32     -14.5784      1.00000
     33     -14.5365      1.00000
     34     -14.1677      1.00000
     35     -14.1541      1.00000
     36     -13.1472      1.00000
     37     -13.0996      1.00000
     38     -13.0291      1.00000
     39     -13.0190      1.00000
     40     -12.7084      1.00000
     41     -12.7043      1.00000
     42     -12.3404      1.00000
     43     -12.3091      1.00000
     44     -11.6352      1.00000
     45     -11.6215      1.00000
     46     -11.5711      1.00000
     47     -10.9485      1.00000
     48     -10.9154      1.00000
     49     -10.6319      1.00000
     50     -10.6240      1.00000
     51     -10.5466      1.00000
     52     -10.4985      1.00000
     53     -10.4983      1.00000
     54     -10.4390      1.00000
     55     -10.3599      1.00000
     56     -10.0984      1.00000
     57      -9.9024      1.00000
     58      -9.6081      1.00000
     59      -9.5558      1.00000
     60      -9.4515      1.00000
     61      -9.4111      1.00000
     62      -9.4043      1.00000
     63      -9.3766      1.00000
     64      -9.3763      1.00000
     65      -9.2863      1.00000
     66      -9.1679      1.00000
     67      -9.1424      1.00000
     68      -9.1140      1.00000
     69      -8.8637      1.00000
     70      -8.8562      1.00000
     71      -8.8143      1.00000
     72      -8.5960      1.00000
     73      -8.4791      1.00000
     74      -8.1979      1.00000
     75      -8.1624      1.00000
     76      -8.0080      1.00000
     77      -7.9632      1.00000
     78      -7.8501      1.00000
     79      -7.8400      1.00000
     80      -7.7037      1.00000
     81      -7.6965      1.00000
     82      -7.6210      1.00000
     83      -7.4482      1.00000
     84      -7.2995      1.00000
     85      -7.2528      1.00000
     86      -6.9056      1.00000
     87      -6.8918      1.00000
     88      -6.5877      1.00000
     89      -6.5503      1.00000
     90      -6.4059      1.00000
     91      -6.2523      1.00000
     92      -6.2317      1.00000
     93      -6.2047      1.00000
     94      -6.0223      1.00000
     95      -5.5494      1.00000
     96      -5.4883      1.00000
     97      -5.3498      1.00000
     98      -5.2190      1.00000
     99      -4.9784      1.00000
    100      -4.7320      1.00000
    101      -4.6773      1.00000
    102      -4.3870      1.00000
    103      -4.2028      1.00000
    104      -3.8706      1.00000
    105      -3.5456      1.00000
    106      -3.5097      1.00000
    107      -2.2559      0.00000
    108      -1.4565      0.00000
    109      -1.3708      0.00000
    110      -1.2415      0.00000
    111      -1.0976      0.00000
    112      -0.9447      0.00000
    113      -0.8634      0.00000
    114      -0.8029      0.00000
    115      -0.1382      0.00000
    116       0.1116      0.00000
    117       0.2411      0.00000
    118       0.3784      0.00000
    119       0.6614      0.00000
    120       0.8370      0.00000
    121       0.9370      0.00000
    122       1.0711      0.00000
    123       1.2438      0.00000
    124       1.4544      0.00000
    125       1.5699      0.00000
    126       1.7667      0.00000
    127       1.7931      0.00000
    128       1.8648      0.00000
    129       1.9893      0.00000
    130       2.0448      0.00000
    131       2.1870      0.00000
    132       2.1935      0.00000
    133       2.4238      0.00000
    134       2.4246      0.00000
    135       2.5040      0.00000
    136       2.6047      0.00000
    137       2.6343      0.00000
    138       2.7071      0.00000
    139       2.7843      0.00000
    140       2.8501      0.00000
    141       2.9662      0.00000
    142       3.0913      0.00000
    143       3.1813      0.00000
    144       3.2100      0.00000
    145       3.2380      0.00000
    146       3.3300      0.00000
    147       3.3322      0.00000
    148       3.4745      0.00000
    149       3.5181      0.00000
    150       3.7002      0.00000
    151       3.7229      0.00000
    152       3.7314      0.00000
    153       3.8677      0.00000
    154       3.9057      0.00000
    155       3.9561      0.00000
    156       3.9811      0.00000
    157       3.9943      0.00000
    158       4.0365      0.00000
    159       4.0572      0.00000
    160       4.0629      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2096      1.00000
      2     -22.1166      1.00000
      3     -21.9559      1.00000
      4     -21.4035      1.00000
      5     -21.0490      1.00000
      6     -21.0130      1.00000
      7     -20.4999      1.00000
      8     -20.4604      1.00000
      9     -20.2941      1.00000
     10     -20.2748      1.00000
     11     -19.9567      1.00000
     12     -19.8909      1.00000
     13     -18.8817      1.00000
     14     -18.8129      1.00000
     15     -18.3522      1.00000
     16     -18.3059      1.00000
     17     -18.1523      1.00000
     18     -18.1350      1.00000
     19     -17.8261      1.00000
     20     -17.7884      1.00000
     21     -17.2512      1.00000
     22     -17.2408      1.00000
     23     -17.1643      1.00000
     24     -17.1320      1.00000
     25     -16.1090      1.00000
     26     -15.8846      1.00000
     27     -15.8693      1.00000
     28     -15.8335      1.00000
     29     -15.2361      1.00000
     30     -14.5543      1.00000
     31     -14.5264      1.00000
     32     -14.2798      1.00000
     33     -13.9632      1.00000
     34     -13.9557      1.00000
     35     -13.8198      1.00000
     36     -13.8038      1.00000
     37     -13.6141      1.00000
     38     -13.5702      1.00000
     39     -13.3689      1.00000
     40     -12.6335      1.00000
     41     -12.1804      1.00000
     42     -12.1324      1.00000
     43     -12.0712      1.00000
     44     -12.0189      1.00000
     45     -11.6692      1.00000
     46     -11.6556      1.00000
     47     -11.1383      1.00000
     48     -11.1177      1.00000
     49     -10.7939      1.00000
     50     -10.7302      1.00000
     51     -10.5280      1.00000
     52     -10.2083      1.00000
     53     -10.2049      1.00000
     54     -10.1635      1.00000
     55     -10.0172      1.00000
     56     -10.0033      1.00000
     57      -9.9898      1.00000
     58      -9.8006      1.00000
     59      -9.7970      1.00000
     60      -9.7618      1.00000
     61      -9.7570      1.00000
     62      -9.4537      1.00000
     63      -9.4164      1.00000
     64      -9.0796      1.00000
     65      -9.0720      1.00000
     66      -9.0401      1.00000
     67      -8.9549      1.00000
     68      -8.8762      1.00000
     69      -8.7116      1.00000
     70      -8.6994      1.00000
     71      -8.5651      1.00000
     72      -8.5422      1.00000
     73      -8.4985      1.00000
     74      -8.4621      1.00000
     75      -8.4526      1.00000
     76      -8.2594      1.00000
     77      -8.1246      1.00000
     78      -8.0424      1.00000
     79      -7.9151      1.00000
     80      -7.8624      1.00000
     81      -7.6140      1.00000
     82      -7.5479      1.00000
     83      -7.4891      1.00000
     84      -7.2679      1.00000
     85      -6.9950      1.00000
     86      -6.9227      1.00000
     87      -6.8816      1.00000
     88      -6.5319      1.00000
     89      -6.4865      1.00000
     90      -6.4604      1.00000
     91      -6.4091      1.00000
     92      -5.9832      1.00000
     93      -5.8966      1.00000
     94      -5.7838      1.00000
     95      -5.7585      1.00000
     96      -5.4315      1.00000
     97      -5.3285      1.00000
     98      -5.2295      1.00000
     99      -5.2171      1.00000
    100      -5.1873      1.00000
    101      -4.6915      1.00000
    102      -4.4211      1.00000
    103      -4.2093      1.00000
    104      -3.8338      1.00000
    105      -3.5289      1.00000
    106      -3.2735      1.00000
    107      -2.5307      0.00000
    108      -1.4579      0.00000
    109      -1.2662      0.00000
    110      -1.2025      0.00000
    111      -1.1721      0.00000
    112      -0.7193      0.00000
    113      -0.5033      0.00000
    114      -0.4116      0.00000
    115      -0.3392      0.00000
    116      -0.1455      0.00000
    117      -0.0027      0.00000
    118       0.1951      0.00000
    119       0.5625      0.00000
    120       0.6129      0.00000
    121       0.8043      0.00000
    122       0.9166      0.00000
    123       1.1427      0.00000
    124       1.5069      0.00000
    125       1.6448      0.00000
    126       1.8746      0.00000
    127       1.9391      0.00000
    128       2.1141      0.00000
    129       2.1164      0.00000
    130       2.1315      0.00000
    131       2.1704      0.00000
    132       2.2803      0.00000
    133       2.3210      0.00000
    134       2.4558      0.00000
    135       2.5790      0.00000
    136       2.6671      0.00000
    137       2.8623      0.00000
    138       2.8733      0.00000
    139       2.9038      0.00000
    140       3.0215      0.00000
    141       3.0327      0.00000
    142       3.1520      0.00000
    143       3.1526      0.00000
    144       3.2362      0.00000
    145       3.2783      0.00000
    146       3.2912      0.00000
    147       3.3084      0.00000
    148       3.3543      0.00000
    149       3.4359      0.00000
    150       3.4543      0.00000
    151       3.5634      0.00000
    152       3.6243      0.00000
    153       3.6764      0.00000
    154       3.7111      0.00000
    155       3.7879      0.00000
    156       3.9036      0.00000
    157       3.9483      0.00000
    158       4.0156      0.00000
    159       4.1532      0.00000
    160       4.2392      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3164      1.00000
      2     -21.9635      1.00000
      3     -21.8913      1.00000
      4     -21.3837      1.00000
      5     -21.3473      1.00000
      6     -20.8386      1.00000
      7     -20.7721      1.00000
      8     -20.6241      1.00000
      9     -20.0887      1.00000
     10     -20.0600      1.00000
     11     -19.7176      1.00000
     12     -19.6887      1.00000
     13     -19.0090      1.00000
     14     -18.9779      1.00000
     15     -18.6490      1.00000
     16     -18.6162      1.00000
     17     -18.4597      1.00000
     18     -17.6597      1.00000
     19     -17.6458      1.00000
     20     -17.6097      1.00000
     21     -17.5771      1.00000
     22     -17.1365      1.00000
     23     -17.0965      1.00000
     24     -16.9652      1.00000
     25     -16.0076      1.00000
     26     -15.9220      1.00000
     27     -15.5980      1.00000
     28     -15.5745      1.00000
     29     -15.2788      1.00000
     30     -14.8760      1.00000
     31     -14.8289      1.00000
     32     -14.5739      1.00000
     33     -14.5360      1.00000
     34     -14.1631      1.00000
     35     -14.1590      1.00000
     36     -13.1616      1.00000
     37     -13.0950      1.00000
     38     -13.0223      1.00000
     39     -13.0176      1.00000
     40     -12.7171      1.00000
     41     -12.6938      1.00000
     42     -12.3398      1.00000
     43     -12.3126      1.00000
     44     -11.6309      1.00000
     45     -11.6216      1.00000
     46     -11.5690      1.00000
     47     -10.9399      1.00000
     48     -10.9220      1.00000
     49     -10.6684      1.00000
     50     -10.5890      1.00000
     51     -10.5723      1.00000
     52     -10.5000      1.00000
     53     -10.4883      1.00000
     54     -10.4384      1.00000
     55     -10.3552      1.00000
     56     -10.1028      1.00000
     57      -9.8966      1.00000
     58      -9.6077      1.00000
     59      -9.5505      1.00000
     60      -9.4534      1.00000
     61      -9.4174      1.00000
     62      -9.4085      1.00000
     63      -9.3784      1.00000
     64      -9.3714      1.00000
     65      -9.2664      1.00000
     66      -9.1645      1.00000
     67      -9.1406      1.00000
     68      -9.1147      1.00000
     69      -8.8653      1.00000
     70      -8.8593      1.00000
     71      -8.8015      1.00000
     72      -8.5953      1.00000
     73      -8.5257      1.00000
     74      -8.1924      1.00000
     75      -8.1697      1.00000
     76      -8.0749      1.00000
     77      -7.8570      1.00000
     78      -7.8361      1.00000
     79      -7.8231      1.00000
     80      -7.7098      1.00000
     81      -7.6954      1.00000
     82      -7.5964      1.00000
     83      -7.5295      1.00000
     84      -7.3494      1.00000
     85      -7.1673      1.00000
     86      -6.9045      1.00000
     87      -6.8952      1.00000
     88      -6.5917      1.00000
     89      -6.5503      1.00000
     90      -6.4055      1.00000
     91      -6.3014      1.00000
     92      -6.2467      1.00000
     93      -6.2004      1.00000
     94      -6.0030      1.00000
     95      -5.5311      1.00000
     96      -5.4642      1.00000
     97      -5.3133      1.00000
     98      -5.2086      1.00000
     99      -5.0464      1.00000
    100      -4.7230      1.00000
    101      -4.6708      1.00000
    102      -4.4235      1.00000
    103      -4.1944      1.00000
    104      -3.8425      1.00000
    105      -3.6341      1.00000
    106      -3.4158      1.00000
    107      -2.2920      0.00000
    108      -1.5091      0.00000
    109      -1.2696      0.00000
    110      -1.2620      0.00000
    111      -1.0340      0.00000
    112      -0.9773      0.00000
    113      -0.8678      0.00000
    114      -0.7995      0.00000
    115      -0.2607      0.00000
    116       0.2045      0.00000
    117       0.2397      0.00000
    118       0.3613      0.00000
    119       0.6998      0.00000
    120       0.8950      0.00000
    121       0.9252      0.00000
    122       1.0476      0.00000
    123       1.1759      0.00000
    124       1.5173      0.00000
    125       1.5769      0.00000
    126       1.7178      0.00000
    127       1.7799      0.00000
    128       1.8305      0.00000
    129       1.9546      0.00000
    130       2.0047      0.00000
    131       2.1761      0.00000
    132       2.2805      0.00000
    133       2.4257      0.00000
    134       2.4351      0.00000
    135       2.4993      0.00000
    136       2.6025      0.00000
    137       2.6188      0.00000
    138       2.7114      0.00000
    139       2.7629      0.00000
    140       2.8783      0.00000
    141       3.0487      0.00000
    142       3.0902      0.00000
    143       3.1777      0.00000
    144       3.2290      0.00000
    145       3.2411      0.00000
    146       3.3037      0.00000
    147       3.3601      0.00000
    148       3.4615      0.00000
    149       3.5363      0.00000
    150       3.7006      0.00000
    151       3.7199      0.00000
    152       3.7559      0.00000
    153       3.8363      0.00000
    154       3.8882      0.00000
    155       3.9427      0.00000
    156       3.9830      0.00000
    157       4.0011      0.00000
    158       4.0240      0.00000
    159       4.0425      0.00000
    160       4.0816      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3886      1.00000
      2     -21.8298      1.00000
      3     -21.6405      1.00000
      4     -21.6055      1.00000
      5     -21.2779      1.00000
      6     -21.2308      1.00000
      7     -21.0555      1.00000
      8     -20.1705      1.00000
      9     -20.1244      1.00000
     10     -19.6161      1.00000
     11     -19.5899      1.00000
     12     -19.4146      1.00000
     13     -19.0937      1.00000
     14     -19.0551      1.00000
     15     -19.0507      1.00000
     16     -19.0378      1.00000
     17     -18.3659      1.00000
     18     -18.3462      1.00000
     19     -18.0156      1.00000
     20     -17.0714      1.00000
     21     -17.0225      1.00000
     22     -16.9489      1.00000
     23     -16.9351      1.00000
     24     -16.4743      1.00000
     25     -16.4623      1.00000
     26     -15.6085      1.00000
     27     -15.6080      1.00000
     28     -15.2487      1.00000
     29     -15.2367      1.00000
     30     -15.1905      1.00000
     31     -15.1005      1.00000
     32     -15.0676      1.00000
     33     -14.6974      1.00000
     34     -14.6965      1.00000
     35     -13.7241      1.00000
     36     -13.7240      1.00000
     37     -13.2343      1.00000
     38     -12.6235      1.00000
     39     -12.5794      1.00000
     40     -12.4537      1.00000
     41     -12.4483      1.00000
     42     -12.1041      1.00000
     43     -12.0992      1.00000
     44     -11.7208      1.00000
     45     -11.6821      1.00000
     46     -11.2448      1.00000
     47     -11.2242      1.00000
     48     -11.0166      1.00000
     49     -11.0049      1.00000
     50     -10.9267      1.00000
     51     -10.8980      1.00000
     52     -10.6361      1.00000
     53     -10.1715      1.00000
     54     -10.1485      1.00000
     55     -10.0839      1.00000
     56      -9.9911      1.00000
     57      -9.6952      1.00000
     58      -9.6886      1.00000
     59      -9.6693      1.00000
     60      -9.5907      1.00000
     61      -9.5667      1.00000
     62      -9.5527      1.00000
     63      -9.3117      1.00000
     64      -9.2990      1.00000
     65      -9.2822      1.00000
     66      -9.2424      1.00000
     67      -9.1211      1.00000
     68      -9.1115      1.00000
     69      -9.1098      1.00000
     70      -8.9384      1.00000
     71      -8.8747      1.00000
     72      -8.6043      1.00000
     73      -8.5855      1.00000
     74      -8.2702      1.00000
     75      -8.1006      1.00000
     76      -7.8670      1.00000
     77      -7.8425      1.00000
     78      -7.7898      1.00000
     79      -7.7639      1.00000
     80      -7.7548      1.00000
     81      -7.4471      1.00000
     82      -7.3339      1.00000
     83      -7.3225      1.00000
     84      -7.2652      1.00000
     85      -7.1615      1.00000
     86      -7.0144      1.00000
     87      -6.9855      1.00000
     88      -6.7168      1.00000
     89      -6.6896      1.00000
     90      -6.6306      1.00000
     91      -6.5896      1.00000
     92      -6.1170      1.00000
     93      -6.0583      1.00000
     94      -6.0438      1.00000
     95      -6.0280      1.00000
     96      -5.7468      1.00000
     97      -4.9743      1.00000
     98      -4.8390      1.00000
     99      -4.7081      1.00000
    100      -4.6725      1.00000
    101      -4.4833      1.00000
    102      -4.3520      1.00000
    103      -4.1114      1.00000
    104      -4.0551      1.00000
    105      -3.7546      1.00000
    106      -3.4651      1.00000
    107      -1.9503      0.00000
    108      -1.7706      0.00000
    109      -1.4794      0.00000
    110      -1.3552      0.00000
    111      -1.3355      0.00000
    112      -1.2923      0.00000
    113      -0.6780      0.00000
    114      -0.4714      0.00000
    115      -0.2353      0.00000
    116       0.0528      0.00000
    117       0.5977      0.00000
    118       0.6925      0.00000
    119       0.7706      0.00000
    120       1.0243      0.00000
    121       1.0969      0.00000
    122       1.1803      0.00000
    123       1.2539      0.00000
    124       1.3422      0.00000
    125       1.4458      0.00000
    126       1.6161      0.00000
    127       1.7498      0.00000
    128       1.8470      0.00000
    129       1.8569      0.00000
    130       1.8931      0.00000
    131       2.0424      0.00000
    132       2.2264      0.00000
    133       2.2502      0.00000
    134       2.3041      0.00000
    135       2.4853      0.00000
    136       2.6077      0.00000
    137       2.6402      0.00000
    138       2.7745      0.00000
    139       2.7897      0.00000
    140       2.8342      0.00000
    141       2.8404      0.00000
    142       2.8517      0.00000
    143       2.9257      0.00000
    144       3.1091      0.00000
    145       3.3192      0.00000
    146       3.3418      0.00000
    147       3.3822      0.00000
    148       3.4088      0.00000
    149       3.4303      0.00000
    150       3.5937      0.00000
    151       3.6353      0.00000
    152       3.6819      0.00000
    153       3.7393      0.00000
    154       3.9031      0.00000
    155       3.9346      0.00000
    156       3.9556      0.00000
    157       4.1081      0.00000
    158       4.2135      0.00000
    159       4.2634      0.00000
    160       4.2877      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2087      1.00000
      2     -22.1179      1.00000
      3     -21.9556      1.00000
      4     -21.4037      1.00000
      5     -21.0451      1.00000
      6     -21.0167      1.00000
      7     -20.4951      1.00000
      8     -20.4651      1.00000
      9     -20.2852      1.00000
     10     -20.2832      1.00000
     11     -19.9557      1.00000
     12     -19.8926      1.00000
     13     -18.8825      1.00000
     14     -18.8149      1.00000
     15     -18.3366      1.00000
     16     -18.3176      1.00000
     17     -18.1481      1.00000
     18     -18.1406      1.00000
     19     -17.8147      1.00000
     20     -17.7967      1.00000
     21     -17.2574      1.00000
     22     -17.2378      1.00000
     23     -17.1590      1.00000
     24     -17.1347      1.00000
     25     -16.1155      1.00000
     26     -15.8795      1.00000
     27     -15.8684      1.00000
     28     -15.8400      1.00000
     29     -15.2298      1.00000
     30     -14.5501      1.00000
     31     -14.5317      1.00000
     32     -14.2746      1.00000
     33     -13.9740      1.00000
     34     -13.9504      1.00000
     35     -13.8241      1.00000
     36     -13.8018      1.00000
     37     -13.6031      1.00000
     38     -13.5778      1.00000
     39     -13.3690      1.00000
     40     -12.6377      1.00000
     41     -12.1680      1.00000
     42     -12.1417      1.00000
     43     -12.0670      1.00000
     44     -12.0201      1.00000
     45     -11.6640      1.00000
     46     -11.6593      1.00000
     47     -11.1361      1.00000
     48     -11.1250      1.00000
     49     -10.7896      1.00000
     50     -10.7334      1.00000
     51     -10.5348      1.00000
     52     -10.2073      1.00000
     53     -10.2011      1.00000
     54     -10.1692      1.00000
     55     -10.0218      1.00000
     56      -9.9931      1.00000
     57      -9.9892      1.00000
     58      -9.8041      1.00000
     59      -9.7949      1.00000
     60      -9.7640      1.00000
     61      -9.7562      1.00000
     62      -9.4538      1.00000
     63      -9.4164      1.00000
     64      -9.0839      1.00000
     65      -9.0450      1.00000
     66      -9.0245      1.00000
     67      -8.9690      1.00000
     68      -8.8967      1.00000
     69      -8.7072      1.00000
     70      -8.6980      1.00000
     71      -8.5594      1.00000
     72      -8.5486      1.00000
     73      -8.4769      1.00000
     74      -8.4587      1.00000
     75      -8.4558      1.00000
     76      -8.3074      1.00000
     77      -8.0940      1.00000
     78      -8.0881      1.00000
     79      -7.9258      1.00000
     80      -7.8309      1.00000
     81      -7.6000      1.00000
     82      -7.5364      1.00000
     83      -7.4424      1.00000
     84      -7.3146      1.00000
     85      -6.9932      1.00000
     86      -6.9185      1.00000
     87      -6.8815      1.00000
     88      -6.5272      1.00000
     89      -6.5141      1.00000
     90      -6.4802      1.00000
     91      -6.4197      1.00000
     92      -5.9261      1.00000
     93      -5.9043      1.00000
     94      -5.7879      1.00000
     95      -5.7740      1.00000
     96      -5.3685      1.00000
     97      -5.3623      1.00000
     98      -5.2192      1.00000
     99      -5.2146      1.00000
    100      -5.1980      1.00000
    101      -4.7199      1.00000
    102      -4.4421      1.00000
    103      -4.1906      1.00000
    104      -3.8202      1.00000
    105      -3.5652      1.00000
    106      -3.2210      1.00000
    107      -2.5619      0.00000
    108      -1.4630      0.00000
    109      -1.2667      0.00000
    110      -1.1848      0.00000
    111      -1.1833      0.00000
    112      -0.6444      0.00000
    113      -0.5512      0.00000
    114      -0.4145      0.00000
    115      -0.3473      0.00000
    116      -0.0771      0.00000
    117      -0.0631      0.00000
    118       0.1271      0.00000
    119       0.5932      0.00000
    120       0.6278      0.00000
    121       0.8646      0.00000
    122       0.9961      0.00000
    123       1.0112      0.00000
    124       1.5015      0.00000
    125       1.6934      0.00000
    126       1.7911      0.00000
    127       1.8774      0.00000
    128       2.1104      0.00000
    129       2.1287      0.00000
    130       2.1795      0.00000
    131       2.2106      0.00000
    132       2.2510      0.00000
    133       2.3371      0.00000
    134       2.4919      0.00000
    135       2.5039      0.00000
    136       2.6782      0.00000
    137       2.8528      0.00000
    138       2.8614      0.00000
    139       2.9642      0.00000
    140       3.0101      0.00000
    141       3.0485      0.00000
    142       3.1459      0.00000
    143       3.1629      0.00000
    144       3.2528      0.00000
    145       3.2572      0.00000
    146       3.2837      0.00000
    147       3.3110      0.00000
    148       3.3632      0.00000
    149       3.4295      0.00000
    150       3.5610      0.00000
    151       3.5742      0.00000
    152       3.6573      0.00000
    153       3.6615      0.00000
    154       3.6768      0.00000
    155       3.7113      0.00000
    156       3.9067      0.00000
    157       3.9663      0.00000
    158       4.0500      0.00000
    159       4.0973      0.00000
    160       4.2029      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2822      1.00000
      2     -22.0776      1.00000
      3     -21.7193      1.00000
      4     -21.6801      1.00000
      5     -20.9818      1.00000
      6     -20.9341      1.00000
      7     -20.6104      1.00000
      8     -20.5781      1.00000
      9     -20.5646      1.00000
     10     -20.0312      1.00000
     11     -19.5125      1.00000
     12     -19.4825      1.00000
     13     -19.3105      1.00000
     14     -19.2975      1.00000
     15     -18.4486      1.00000
     16     -18.4055      1.00000
     17     -17.9267      1.00000
     18     -17.9063      1.00000
     19     -17.7649      1.00000
     20     -17.7200      1.00000
     21     -17.4408      1.00000
     22     -17.4223      1.00000
     23     -17.3370      1.00000
     24     -16.4704      1.00000
     25     -16.4600      1.00000
     26     -15.9695      1.00000
     27     -15.4100      1.00000
     28     -15.4091      1.00000
     29     -15.0950      1.00000
     30     -15.0920      1.00000
     31     -14.8520      1.00000
     32     -14.8397      1.00000
     33     -14.2969      1.00000
     34     -14.2532      1.00000
     35     -13.4434      1.00000
     36     -13.3996      1.00000
     37     -13.1742      1.00000
     38     -13.1729      1.00000
     39     -12.9844      1.00000
     40     -12.9755      1.00000
     41     -12.6098      1.00000
     42     -12.6077      1.00000
     43     -12.1958      1.00000
     44     -11.5787      1.00000
     45     -11.5375      1.00000
     46     -11.3125      1.00000
     47     -11.2822      1.00000
     48     -11.1411      1.00000
     49     -10.6918      1.00000
     50     -10.6625      1.00000
     51     -10.5461      1.00000
     52     -10.3212      1.00000
     53     -10.3135      1.00000
     54     -10.1745      1.00000
     55     -10.1208      1.00000
     56     -10.1074      1.00000
     57      -9.8104      1.00000
     58      -9.7514      1.00000
     59      -9.7511      1.00000
     60      -9.7011      1.00000
     61      -9.6973      1.00000
     62      -9.6456      1.00000
     63      -9.3517      1.00000
     64      -9.3502      1.00000
     65      -9.3173      1.00000
     66      -9.0269      1.00000
     67      -8.9605      1.00000
     68      -8.9566      1.00000
     69      -8.7742      1.00000
     70      -8.5911      1.00000
     71      -8.5873      1.00000
     72      -8.4226      1.00000
     73      -8.3484      1.00000
     74      -8.3216      1.00000
     75      -8.3011      1.00000
     76      -8.2649      1.00000
     77      -8.2535      1.00000
     78      -8.2387      1.00000
     79      -7.9204      1.00000
     80      -7.7330      1.00000
     81      -7.3788      1.00000
     82      -7.3494      1.00000
     83      -7.3238      1.00000
     84      -7.2166      1.00000
     85      -7.1594      1.00000
     86      -7.0642      1.00000
     87      -6.9598      1.00000
     88      -6.9042      1.00000
     89      -6.6130      1.00000
     90      -6.5559      1.00000
     91      -6.2706      1.00000
     92      -5.9956      1.00000
     93      -5.9584      1.00000
     94      -5.6744      1.00000
     95      -5.6479      1.00000
     96      -5.3865      1.00000
     97      -5.3140      1.00000
     98      -5.2930      1.00000
     99      -5.2111      1.00000
    100      -5.1995      1.00000
    101      -4.5113      1.00000
    102      -4.3386      1.00000
    103      -3.9961      1.00000
    104      -3.8855      1.00000
    105      -3.7925      1.00000
    106      -3.4429      1.00000
    107      -2.0341      0.00000
    108      -1.8628      0.00000
    109      -1.2174      0.00000
    110      -1.1836      0.00000
    111      -1.0355      0.00000
    112      -0.7720      0.00000
    113      -0.6769      0.00000
    114      -0.6597      0.00000
    115      -0.6094      0.00000
    116      -0.1005      0.00000
    117       0.2226      0.00000
    118       0.2408      0.00000
    119       0.7801      0.00000
    120       0.9928      0.00000
    121       1.0759      0.00000
    122       1.2439      0.00000
    123       1.2534      0.00000
    124       1.3494      0.00000
    125       1.5832      0.00000
    126       1.5856      0.00000
    127       1.7209      0.00000
    128       1.7984      0.00000
    129       1.9601      0.00000
    130       1.9836      0.00000
    131       2.0564      0.00000
    132       2.2657      0.00000
    133       2.3422      0.00000
    134       2.4302      0.00000
    135       2.5576      0.00000
    136       2.6357      0.00000
    137       2.7326      0.00000
    138       2.8001      0.00000
    139       2.8549      0.00000
    140       2.8712      0.00000
    141       3.0501      0.00000
    142       3.1117      0.00000
    143       3.1703      0.00000
    144       3.2295      0.00000
    145       3.3786      0.00000
    146       3.4204      0.00000
    147       3.5144      0.00000
    148       3.5608      0.00000
    149       3.5933      0.00000
    150       3.6125      0.00000
    151       3.6586      0.00000
    152       3.7432      0.00000
    153       3.7560      0.00000
    154       3.7660      0.00000
    155       3.7842      0.00000
    156       3.8782      0.00000
    157       4.0237      0.00000
    158       4.0993      0.00000
    159       4.1805      0.00000
    160       4.2250      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4253      1.00000
      2     -21.6023      1.00000
      3     -21.4804      1.00000
      4     -21.4714      1.00000
      5     -21.4398      1.00000
      6     -21.4391      1.00000
      7     -21.4288      1.00000
      8     -19.7066      1.00000
      9     -19.6516      1.00000
     10     -19.6285      1.00000
     11     -19.6172      1.00000
     12     -19.6121      1.00000
     13     -19.6110      1.00000
     14     -18.7889      1.00000
     15     -18.7536      1.00000
     16     -18.7340      1.00000
     17     -18.7245      1.00000
     18     -18.7171      1.00000
     19     -18.7119      1.00000
     20     -16.6344      1.00000
     21     -16.6080      1.00000
     22     -16.5838      1.00000
     23     -16.5806      1.00000
     24     -16.5533      1.00000
     25     -16.5518      1.00000
     26     -15.6137      1.00000
     27     -15.6009      1.00000
     28     -15.5976      1.00000
     29     -15.5636      1.00000
     30     -15.5618      1.00000
     31     -15.5610      1.00000
     32     -14.2588      1.00000
     33     -14.2496      1.00000
     34     -14.2397      1.00000
     35     -14.2347      1.00000
     36     -14.2214      1.00000
     37     -14.2184      1.00000
     38     -11.9050      1.00000
     39     -11.8781      1.00000
     40     -11.8668      1.00000
     41     -11.8650      1.00000
     42     -11.8441      1.00000
     43     -11.8439      1.00000
     44     -11.7700      1.00000
     45     -11.7676      1.00000
     46     -11.7345      1.00000
     47     -11.7279      1.00000
     48     -11.7241      1.00000
     49     -11.7211      1.00000
     50     -10.6750      1.00000
     51     -10.3877      1.00000
     52     -10.3826      1.00000
     53     -10.3756      1.00000
     54     -10.3678      1.00000
     55     -10.3545      1.00000
     56     -10.3524      1.00000
     57      -9.9031      1.00000
     58      -9.4493      1.00000
     59      -9.4043      1.00000
     60      -9.3613      1.00000
     61      -9.3606      1.00000
     62      -9.3528      1.00000
     63      -9.1413      1.00000
     64      -9.1214      1.00000
     65      -9.1201      1.00000
     66      -9.0840      1.00000
     67      -9.0707      1.00000
     68      -9.0701      1.00000
     69      -9.0699      1.00000
     70      -9.0636      1.00000
     71      -9.0631      1.00000
     72      -9.0379      1.00000
     73      -9.0280      1.00000
     74      -9.0248      1.00000
     75      -8.1292      1.00000
     76      -7.7459      1.00000
     77      -7.4681      1.00000
     78      -7.4655      1.00000
     79      -7.4532      1.00000
     80      -7.4334      1.00000
     81      -7.4236      1.00000
     82      -7.4058      1.00000
     83      -7.3118      1.00000
     84      -7.2698      1.00000
     85      -7.2562      1.00000
     86      -7.2477      1.00000
     87      -7.1493      1.00000
     88      -7.0488      1.00000
     89      -6.4452      1.00000
     90      -6.4151      1.00000
     91      -6.3995      1.00000
     92      -6.3624      1.00000
     93      -6.3518      1.00000
     94      -6.3397      1.00000
     95      -5.9579      1.00000
     96      -5.9576      1.00000
     97      -4.8062      1.00000
     98      -4.5439      1.00000
     99      -4.4805      1.00000
    100      -4.4739      1.00000
    101      -4.3813      1.00000
    102      -4.3809      1.00000
    103      -4.2673      1.00000
    104      -4.1869      1.00000
    105      -3.7388      1.00000
    106      -3.4773      1.00000
    107      -1.8617      0.00000
    108      -1.6701      0.00000
    109      -1.6237      0.00000
    110      -1.5909      0.00000
    111      -1.5754      0.00000
    112      -1.5745      0.00000
    113      -0.4280      0.00000
    114       0.1464      0.00000
    115       0.1921      0.00000
    116       0.2557      0.00000
    117       0.2678      0.00000
    118       0.2715      0.00000
    119       0.4782      0.00000
    120       0.5586      0.00000
    121       1.2596      0.00000
    122       1.2931      0.00000
    123       1.5518      0.00000
    124       1.7710      0.00000
    125       1.7811      0.00000
    126       1.7840      0.00000
    127       1.7850      0.00000
    128       1.8330      0.00000
    129       1.9584      0.00000
    130       1.9723      0.00000
    131       1.9744      0.00000
    132       1.9889      0.00000
    133       1.9961      0.00000
    134       2.0891      0.00000
    135       2.2675      0.00000
    136       2.3440      0.00000
    137       2.6349      0.00000
    138       2.6353      0.00000
    139       2.6666      0.00000
    140       2.7203      0.00000
    141       2.9451      0.00000
    142       3.0256      0.00000
    143       3.0305      0.00000
    144       3.0617      0.00000
    145       3.0629      0.00000
    146       3.0669      0.00000
    147       3.0922      0.00000
    148       3.2870      0.00000
    149       3.4512      0.00000
    150       3.5191      0.00000
    151       3.8215      0.00000
    152       3.9581      0.00000
    153       3.9651      0.00000
    154       3.9669      0.00000
    155       3.9731      0.00000
    156       4.0024      0.00000
    157       4.1898      0.00000
    158       4.2679      0.00000
    159       4.2758      0.00000
    160       4.2896      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3887      1.00000
      2     -21.8296      1.00000
      3     -21.6373      1.00000
      4     -21.6094      1.00000
      5     -21.2737      1.00000
      6     -21.2343      1.00000
      7     -21.0559      1.00000
      8     -20.1668      1.00000
      9     -20.1285      1.00000
     10     -19.6076      1.00000
     11     -19.5966      1.00000
     12     -19.4163      1.00000
     13     -19.0888      1.00000
     14     -19.0589      1.00000
     15     -19.0480      1.00000
     16     -19.0405      1.00000
     17     -18.3597      1.00000
     18     -18.3513      1.00000
     19     -18.0183      1.00000
     20     -17.0685      1.00000
     21     -17.0297      1.00000
     22     -16.9433      1.00000
     23     -16.9389      1.00000
     24     -16.4672      1.00000
     25     -16.4621      1.00000
     26     -15.6132      1.00000
     27     -15.6063      1.00000
     28     -15.2518      1.00000
     29     -15.2428      1.00000
     30     -15.1839      1.00000
     31     -15.0970      1.00000
     32     -15.0702      1.00000
     33     -14.6975      1.00000
     34     -14.6956      1.00000
     35     -13.7256      1.00000
     36     -13.7231      1.00000
     37     -13.2350      1.00000
     38     -12.6135      1.00000
     39     -12.5833      1.00000
     40     -12.4533      1.00000
     41     -12.4496      1.00000
     42     -12.1086      1.00000
     43     -12.1040      1.00000
     44     -11.7161      1.00000
     45     -11.6852      1.00000
     46     -11.2344      1.00000
     47     -11.2252      1.00000
     48     -11.0169      1.00000
     49     -11.0089      1.00000
     50     -10.9257      1.00000
     51     -10.9041      1.00000
     52     -10.6301      1.00000
     53     -10.1543      1.00000
     54     -10.1498      1.00000
     55     -10.0912      1.00000
     56      -9.9976      1.00000
     57      -9.7019      1.00000
     58      -9.6942      1.00000
     59      -9.6549      1.00000
     60      -9.5909      1.00000
     61      -9.5759      1.00000
     62      -9.5578      1.00000
     63      -9.3064      1.00000
     64      -9.3024      1.00000
     65      -9.2730      1.00000
     66      -9.2355      1.00000
     67      -9.1356      1.00000
     68      -9.1147      1.00000
     69      -9.1102      1.00000
     70      -8.9386      1.00000
     71      -8.8711      1.00000
     72      -8.6037      1.00000
     73      -8.5902      1.00000
     74      -8.2357      1.00000
     75      -8.1001      1.00000
     76      -7.9125      1.00000
     77      -7.8629      1.00000
     78      -7.7711      1.00000
     79      -7.7561      1.00000
     80      -7.6912      1.00000
     81      -7.5602      1.00000
     82      -7.3382      1.00000
     83      -7.3221      1.00000
     84      -7.2033      1.00000
     85      -7.1226      1.00000
     86      -7.0312      1.00000
     87      -7.0115      1.00000
     88      -6.7035      1.00000
     89      -6.6770      1.00000
     90      -6.6402      1.00000
     91      -6.5968      1.00000
     92      -6.1155      1.00000
     93      -6.0615      1.00000
     94      -6.0304      1.00000
     95      -6.0103      1.00000
     96      -5.7825      1.00000
     97      -4.9741      1.00000
     98      -4.8313      1.00000
     99      -4.7463      1.00000
    100      -4.6787      1.00000
    101      -4.4685      1.00000
    102      -4.2032      1.00000
    103      -4.1711      1.00000
    104      -4.1273      1.00000
    105      -3.7291      1.00000
    106      -3.4875      1.00000
    107      -1.8701      0.00000
    108      -1.8085      0.00000
    109      -1.5241      0.00000
    110      -1.3771      0.00000
    111      -1.3210      0.00000
    112      -1.2877      0.00000
    113      -0.7196      0.00000
    114      -0.3755      0.00000
    115      -0.2495      0.00000
    116       0.0382      0.00000
    117       0.5643      0.00000
    118       0.7004      0.00000
    119       0.7472      0.00000
    120       1.0497      0.00000
    121       1.1001      0.00000
    122       1.1547      0.00000
    123       1.2295      0.00000
    124       1.3868      0.00000
    125       1.5326      0.00000
    126       1.6002      0.00000
    127       1.7201      0.00000
    128       1.7977      0.00000
    129       1.8573      0.00000
    130       1.8834      0.00000
    131       2.1011      0.00000
    132       2.2020      0.00000
    133       2.2486      0.00000
    134       2.3213      0.00000
    135       2.5249      0.00000
    136       2.6073      0.00000
    137       2.6123      0.00000
    138       2.7849      0.00000
    139       2.7946      0.00000
    140       2.8243      0.00000
    141       2.8283      0.00000
    142       2.9020      0.00000
    143       2.9342      0.00000
    144       3.1027      0.00000
    145       3.1678      0.00000
    146       3.3216      0.00000
    147       3.3529      0.00000
    148       3.4037      0.00000
    149       3.4722      0.00000
    150       3.6062      0.00000
    151       3.6446      0.00000
    152       3.6665      0.00000
    153       3.7147      0.00000
    154       3.9212      0.00000
    155       3.9653      0.00000
    156       4.0252      0.00000
    157       4.0710      0.00000
    158       4.2462      0.00000
    159       4.2574      0.00000
    160       4.2827      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2827      1.00000
      2     -22.0770      1.00000
      3     -21.7157      1.00000
      4     -21.6838      1.00000
      5     -20.9785      1.00000
      6     -20.9379      1.00000
      7     -20.6109      1.00000
      8     -20.5743      1.00000
      9     -20.5680      1.00000
     10     -20.0318      1.00000
     11     -19.5024      1.00000
     12     -19.4907      1.00000
     13     -19.3058      1.00000
     14     -19.3007      1.00000
     15     -18.4469      1.00000
     16     -18.4101      1.00000
     17     -17.9215      1.00000
     18     -17.9120      1.00000
     19     -17.7608      1.00000
     20     -17.7250      1.00000
     21     -17.4351      1.00000
     22     -17.4275      1.00000
     23     -17.3403      1.00000
     24     -16.4619      1.00000
     25     -16.4607      1.00000
     26     -15.9660      1.00000
     27     -15.4133      1.00000
     28     -15.4079      1.00000
     29     -15.0955      1.00000
     30     -15.0923      1.00000
     31     -14.8544      1.00000
     32     -14.8468      1.00000
     33     -14.2895      1.00000
     34     -14.2567      1.00000
     35     -13.4359      1.00000
     36     -13.4034      1.00000
     37     -13.1767      1.00000
     38     -13.1733      1.00000
     39     -12.9807      1.00000
     40     -12.9758      1.00000
     41     -12.6123      1.00000
     42     -12.6090      1.00000
     43     -12.1971      1.00000
     44     -11.5754      1.00000
     45     -11.5416      1.00000
     46     -11.3096      1.00000
     47     -11.2867      1.00000
     48     -11.1414      1.00000
     49     -10.6756      1.00000
     50     -10.6597      1.00000
     51     -10.5522      1.00000
     52     -10.3228      1.00000
     53     -10.3167      1.00000
     54     -10.1682      1.00000
     55     -10.1147      1.00000
     56     -10.1118      1.00000
     57      -9.7971      1.00000
     58      -9.7644      1.00000
     59      -9.7508      1.00000
     60      -9.6989      1.00000
     61      -9.6964      1.00000
     62      -9.6609      1.00000
     63      -9.3539      1.00000
     64      -9.3503      1.00000
     65      -9.3143      1.00000
     66      -9.0402      1.00000
     67      -8.9615      1.00000
     68      -8.9487      1.00000
     69      -8.7984      1.00000
     70      -8.5938      1.00000
     71      -8.5567      1.00000
     72      -8.3974      1.00000
     73      -8.3639      1.00000
     74      -8.3238      1.00000
     75      -8.3063      1.00000
     76      -8.2582      1.00000
     77      -8.2565      1.00000
     78      -8.2353      1.00000
     79      -7.9038      1.00000
     80      -7.6505      1.00000
     81      -7.5490      1.00000
     82      -7.3858      1.00000
     83      -7.3487      1.00000
     84      -7.2304      1.00000
     85      -7.0953      1.00000
     86      -7.0378      1.00000
     87      -6.9329      1.00000
     88      -6.8473      1.00000
     89      -6.6118      1.00000
     90      -6.5583      1.00000
     91      -6.2690      1.00000
     92      -6.0430      1.00000
     93      -5.9507      1.00000
     94      -5.6620      1.00000
     95      -5.6216      1.00000
     96      -5.4626      1.00000
     97      -5.3194      1.00000
     98      -5.2780      1.00000
     99      -5.2132      1.00000
    100      -5.1928      1.00000
    101      -4.5082      1.00000
    102      -4.2074      1.00000
    103      -4.0588      1.00000
    104      -3.9884      1.00000
    105      -3.6938      1.00000
    106      -3.4977      1.00000
    107      -1.9460      0.00000
    108      -1.8959      0.00000
    109      -1.3388      0.00000
    110      -1.0845      0.00000
    111      -1.0577      0.00000
    112      -0.8000      0.00000
    113      -0.6771      0.00000
    114      -0.6466      0.00000
    115      -0.6070      0.00000
    116      -0.1070      0.00000
    117       0.2155      0.00000
    118       0.3302      0.00000
    119       0.7033      0.00000
    120       0.8957      0.00000
    121       1.1297      0.00000
    122       1.1999      0.00000
    123       1.3350      0.00000
    124       1.4312      0.00000
    125       1.5577      0.00000
    126       1.5782      0.00000
    127       1.6958      0.00000
    128       1.8099      0.00000
    129       1.8899      0.00000
    130       2.0626      0.00000
    131       2.1074      0.00000
    132       2.3042      0.00000
    133       2.3548      0.00000
    134       2.4121      0.00000
    135       2.5640      0.00000
    136       2.6371      0.00000
    137       2.7247      0.00000
    138       2.7400      0.00000
    139       2.7976      0.00000
    140       2.8864      0.00000
    141       3.0537      0.00000
    142       3.0657      0.00000
    143       3.1779      0.00000
    144       3.2738      0.00000
    145       3.3698      0.00000
    146       3.4249      0.00000
    147       3.4451      0.00000
    148       3.5677      0.00000
    149       3.5866      0.00000
    150       3.6089      0.00000
    151       3.6630      0.00000
    152       3.6839      0.00000
    153       3.7709      0.00000
    154       3.7779      0.00000
    155       3.8116      0.00000
    156       3.8955      0.00000
    157       3.9349      0.00000
    158       3.9988      0.00000
    159       4.2203      0.00000
    160       4.2318      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3166      1.00000
      2     -21.9619      1.00000
      3     -21.8927      1.00000
      4     -21.3800      1.00000
      5     -21.3507      1.00000
      6     -20.8389      1.00000
      7     -20.7735      1.00000
      8     -20.6233      1.00000
      9     -20.0767      1.00000
     10     -20.0710      1.00000
     11     -19.7160      1.00000
     12     -19.6914      1.00000
     13     -18.9956      1.00000
     14     -18.9897      1.00000
     15     -18.6396      1.00000
     16     -18.6237      1.00000
     17     -18.4614      1.00000
     18     -17.6747      1.00000
     19     -17.6242      1.00000
     20     -17.6214      1.00000
     21     -17.5796      1.00000
     22     -17.1257      1.00000
     23     -17.1042      1.00000
     24     -16.9609      1.00000
     25     -16.0007      1.00000
     26     -15.9286      1.00000
     27     -15.5848      1.00000
     28     -15.5845      1.00000
     29     -15.2864      1.00000
     30     -14.8632      1.00000
     31     -14.8359      1.00000
     32     -14.5784      1.00000
     33     -14.5365      1.00000
     34     -14.1677      1.00000
     35     -14.1541      1.00000
     36     -13.1472      1.00000
     37     -13.0996      1.00000
     38     -13.0291      1.00000
     39     -13.0190      1.00000
     40     -12.7084      1.00000
     41     -12.7043      1.00000
     42     -12.3404      1.00000
     43     -12.3091      1.00000
     44     -11.6352      1.00000
     45     -11.6215      1.00000
     46     -11.5711      1.00000
     47     -10.9485      1.00000
     48     -10.9154      1.00000
     49     -10.6319      1.00000
     50     -10.6240      1.00000
     51     -10.5466      1.00000
     52     -10.4985      1.00000
     53     -10.4983      1.00000
     54     -10.4390      1.00000
     55     -10.3599      1.00000
     56     -10.0984      1.00000
     57      -9.9024      1.00000
     58      -9.6081      1.00000
     59      -9.5558      1.00000
     60      -9.4515      1.00000
     61      -9.4111      1.00000
     62      -9.4043      1.00000
     63      -9.3766      1.00000
     64      -9.3763      1.00000
     65      -9.2863      1.00000
     66      -9.1679      1.00000
     67      -9.1424      1.00000
     68      -9.1140      1.00000
     69      -8.8637      1.00000
     70      -8.8562      1.00000
     71      -8.8143      1.00000
     72      -8.5960      1.00000
     73      -8.4791      1.00000
     74      -8.1979      1.00000
     75      -8.1624      1.00000
     76      -8.0080      1.00000
     77      -7.9632      1.00000
     78      -7.8501      1.00000
     79      -7.8400      1.00000
     80      -7.7037      1.00000
     81      -7.6965      1.00000
     82      -7.6210      1.00000
     83      -7.4482      1.00000
     84      -7.2995      1.00000
     85      -7.2528      1.00000
     86      -6.9056      1.00000
     87      -6.8918      1.00000
     88      -6.5877      1.00000
     89      -6.5503      1.00000
     90      -6.4059      1.00000
     91      -6.2523      1.00000
     92      -6.2317      1.00000
     93      -6.2047      1.00000
     94      -6.0223      1.00000
     95      -5.5494      1.00000
     96      -5.4883      1.00000
     97      -5.3498      1.00000
     98      -5.2190      1.00000
     99      -4.9784      1.00000
    100      -4.7320      1.00000
    101      -4.6773      1.00000
    102      -4.3870      1.00000
    103      -4.2028      1.00000
    104      -3.8706      1.00000
    105      -3.5456      1.00000
    106      -3.5097      1.00000
    107      -2.2559      0.00000
    108      -1.4565      0.00000
    109      -1.3708      0.00000
    110      -1.2415      0.00000
    111      -1.0976      0.00000
    112      -0.9447      0.00000
    113      -0.8634      0.00000
    114      -0.8029      0.00000
    115      -0.1382      0.00000
    116       0.1116      0.00000
    117       0.2411      0.00000
    118       0.3784      0.00000
    119       0.6614      0.00000
    120       0.8370      0.00000
    121       0.9370      0.00000
    122       1.0711      0.00000
    123       1.2438      0.00000
    124       1.4544      0.00000
    125       1.5699      0.00000
    126       1.7667      0.00000
    127       1.7931      0.00000
    128       1.8648      0.00000
    129       1.9893      0.00000
    130       2.0448      0.00000
    131       2.1870      0.00000
    132       2.1935      0.00000
    133       2.4238      0.00000
    134       2.4246      0.00000
    135       2.5040      0.00000
    136       2.6047      0.00000
    137       2.6343      0.00000
    138       2.7071      0.00000
    139       2.7843      0.00000
    140       2.8501      0.00000
    141       2.9662      0.00000
    142       3.0913      0.00000
    143       3.1813      0.00000
    144       3.2100      0.00000
    145       3.2380      0.00000
    146       3.3300      0.00000
    147       3.3322      0.00000
    148       3.4745      0.00000
    149       3.5181      0.00000
    150       3.7002      0.00000
    151       3.7229      0.00000
    152       3.7314      0.00000
    153       3.8677      0.00000
    154       3.9057      0.00000
    155       3.9561      0.00000
    156       3.9811      0.00000
    157       3.9943      0.00000
    158       4.0365      0.00000
    159       4.0572      0.00000
    160       4.0629      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2096      1.00000
      2     -22.1166      1.00000
      3     -21.9559      1.00000
      4     -21.4035      1.00000
      5     -21.0490      1.00000
      6     -21.0130      1.00000
      7     -20.4999      1.00000
      8     -20.4604      1.00000
      9     -20.2941      1.00000
     10     -20.2748      1.00000
     11     -19.9567      1.00000
     12     -19.8909      1.00000
     13     -18.8817      1.00000
     14     -18.8129      1.00000
     15     -18.3522      1.00000
     16     -18.3059      1.00000
     17     -18.1523      1.00000
     18     -18.1350      1.00000
     19     -17.8261      1.00000
     20     -17.7884      1.00000
     21     -17.2512      1.00000
     22     -17.2408      1.00000
     23     -17.1643      1.00000
     24     -17.1320      1.00000
     25     -16.1090      1.00000
     26     -15.8846      1.00000
     27     -15.8693      1.00000
     28     -15.8335      1.00000
     29     -15.2361      1.00000
     30     -14.5543      1.00000
     31     -14.5264      1.00000
     32     -14.2798      1.00000
     33     -13.9632      1.00000
     34     -13.9557      1.00000
     35     -13.8198      1.00000
     36     -13.8038      1.00000
     37     -13.6141      1.00000
     38     -13.5702      1.00000
     39     -13.3689      1.00000
     40     -12.6335      1.00000
     41     -12.1804      1.00000
     42     -12.1324      1.00000
     43     -12.0712      1.00000
     44     -12.0189      1.00000
     45     -11.6692      1.00000
     46     -11.6556      1.00000
     47     -11.1383      1.00000
     48     -11.1177      1.00000
     49     -10.7939      1.00000
     50     -10.7302      1.00000
     51     -10.5280      1.00000
     52     -10.2083      1.00000
     53     -10.2049      1.00000
     54     -10.1635      1.00000
     55     -10.0172      1.00000
     56     -10.0033      1.00000
     57      -9.9898      1.00000
     58      -9.8006      1.00000
     59      -9.7970      1.00000
     60      -9.7618      1.00000
     61      -9.7570      1.00000
     62      -9.4537      1.00000
     63      -9.4164      1.00000
     64      -9.0796      1.00000
     65      -9.0720      1.00000
     66      -9.0401      1.00000
     67      -8.9549      1.00000
     68      -8.8762      1.00000
     69      -8.7116      1.00000
     70      -8.6994      1.00000
     71      -8.5651      1.00000
     72      -8.5422      1.00000
     73      -8.4985      1.00000
     74      -8.4621      1.00000
     75      -8.4526      1.00000
     76      -8.2594      1.00000
     77      -8.1246      1.00000
     78      -8.0424      1.00000
     79      -7.9151      1.00000
     80      -7.8624      1.00000
     81      -7.6140      1.00000
     82      -7.5479      1.00000
     83      -7.4891      1.00000
     84      -7.2679      1.00000
     85      -6.9950      1.00000
     86      -6.9227      1.00000
     87      -6.8816      1.00000
     88      -6.5319      1.00000
     89      -6.4865      1.00000
     90      -6.4604      1.00000
     91      -6.4091      1.00000
     92      -5.9832      1.00000
     93      -5.8966      1.00000
     94      -5.7838      1.00000
     95      -5.7585      1.00000
     96      -5.4315      1.00000
     97      -5.3285      1.00000
     98      -5.2295      1.00000
     99      -5.2171      1.00000
    100      -5.1873      1.00000
    101      -4.6915      1.00000
    102      -4.4211      1.00000
    103      -4.2093      1.00000
    104      -3.8338      1.00000
    105      -3.5289      1.00000
    106      -3.2735      1.00000
    107      -2.5307      0.00000
    108      -1.4579      0.00000
    109      -1.2662      0.00000
    110      -1.2025      0.00000
    111      -1.1721      0.00000
    112      -0.7193      0.00000
    113      -0.5033      0.00000
    114      -0.4116      0.00000
    115      -0.3392      0.00000
    116      -0.1455      0.00000
    117      -0.0027      0.00000
    118       0.1951      0.00000
    119       0.5625      0.00000
    120       0.6129      0.00000
    121       0.8043      0.00000
    122       0.9166      0.00000
    123       1.1427      0.00000
    124       1.5069      0.00000
    125       1.6448      0.00000
    126       1.8746      0.00000
    127       1.9391      0.00000
    128       2.1141      0.00000
    129       2.1164      0.00000
    130       2.1315      0.00000
    131       2.1704      0.00000
    132       2.2803      0.00000
    133       2.3210      0.00000
    134       2.4558      0.00000
    135       2.5790      0.00000
    136       2.6671      0.00000
    137       2.8623      0.00000
    138       2.8733      0.00000
    139       2.9038      0.00000
    140       3.0215      0.00000
    141       3.0327      0.00000
    142       3.1520      0.00000
    143       3.1526      0.00000
    144       3.2362      0.00000
    145       3.2783      0.00000
    146       3.2912      0.00000
    147       3.3084      0.00000
    148       3.3543      0.00000
    149       3.4359      0.00000
    150       3.4543      0.00000
    151       3.5634      0.00000
    152       3.6243      0.00000
    153       3.6764      0.00000
    154       3.7111      0.00000
    155       3.7879      0.00000
    156       3.9036      0.00000
    157       3.9483      0.00000
    158       4.0156      0.00000
    159       4.1532      0.00000
    160       4.2392      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3164      1.00000
      2     -21.9635      1.00000
      3     -21.8913      1.00000
      4     -21.3837      1.00000
      5     -21.3473      1.00000
      6     -20.8386      1.00000
      7     -20.7721      1.00000
      8     -20.6241      1.00000
      9     -20.0887      1.00000
     10     -20.0600      1.00000
     11     -19.7176      1.00000
     12     -19.6887      1.00000
     13     -19.0090      1.00000
     14     -18.9779      1.00000
     15     -18.6490      1.00000
     16     -18.6162      1.00000
     17     -18.4597      1.00000
     18     -17.6597      1.00000
     19     -17.6458      1.00000
     20     -17.6097      1.00000
     21     -17.5771      1.00000
     22     -17.1365      1.00000
     23     -17.0965      1.00000
     24     -16.9652      1.00000
     25     -16.0076      1.00000
     26     -15.9220      1.00000
     27     -15.5980      1.00000
     28     -15.5745      1.00000
     29     -15.2788      1.00000
     30     -14.8760      1.00000
     31     -14.8289      1.00000
     32     -14.5739      1.00000
     33     -14.5360      1.00000
     34     -14.1631      1.00000
     35     -14.1590      1.00000
     36     -13.1616      1.00000
     37     -13.0950      1.00000
     38     -13.0223      1.00000
     39     -13.0176      1.00000
     40     -12.7171      1.00000
     41     -12.6938      1.00000
     42     -12.3398      1.00000
     43     -12.3126      1.00000
     44     -11.6309      1.00000
     45     -11.6216      1.00000
     46     -11.5690      1.00000
     47     -10.9399      1.00000
     48     -10.9220      1.00000
     49     -10.6684      1.00000
     50     -10.5890      1.00000
     51     -10.5723      1.00000
     52     -10.5000      1.00000
     53     -10.4883      1.00000
     54     -10.4384      1.00000
     55     -10.3552      1.00000
     56     -10.1028      1.00000
     57      -9.8966      1.00000
     58      -9.6077      1.00000
     59      -9.5505      1.00000
     60      -9.4534      1.00000
     61      -9.4174      1.00000
     62      -9.4085      1.00000
     63      -9.3784      1.00000
     64      -9.3714      1.00000
     65      -9.2664      1.00000
     66      -9.1645      1.00000
     67      -9.1406      1.00000
     68      -9.1147      1.00000
     69      -8.8653      1.00000
     70      -8.8593      1.00000
     71      -8.8015      1.00000
     72      -8.5953      1.00000
     73      -8.5257      1.00000
     74      -8.1924      1.00000
     75      -8.1697      1.00000
     76      -8.0749      1.00000
     77      -7.8570      1.00000
     78      -7.8361      1.00000
     79      -7.8231      1.00000
     80      -7.7098      1.00000
     81      -7.6954      1.00000
     82      -7.5964      1.00000
     83      -7.5295      1.00000
     84      -7.3494      1.00000
     85      -7.1673      1.00000
     86      -6.9045      1.00000
     87      -6.8952      1.00000
     88      -6.5917      1.00000
     89      -6.5503      1.00000
     90      -6.4055      1.00000
     91      -6.3014      1.00000
     92      -6.2467      1.00000
     93      -6.2004      1.00000
     94      -6.0030      1.00000
     95      -5.5311      1.00000
     96      -5.4642      1.00000
     97      -5.3133      1.00000
     98      -5.2086      1.00000
     99      -5.0464      1.00000
    100      -4.7230      1.00000
    101      -4.6708      1.00000
    102      -4.4235      1.00000
    103      -4.1944      1.00000
    104      -3.8425      1.00000
    105      -3.6341      1.00000
    106      -3.4158      1.00000
    107      -2.2920      0.00000
    108      -1.5091      0.00000
    109      -1.2696      0.00000
    110      -1.2620      0.00000
    111      -1.0340      0.00000
    112      -0.9773      0.00000
    113      -0.8678      0.00000
    114      -0.7995      0.00000
    115      -0.2607      0.00000
    116       0.2045      0.00000
    117       0.2397      0.00000
    118       0.3613      0.00000
    119       0.6998      0.00000
    120       0.8950      0.00000
    121       0.9252      0.00000
    122       1.0476      0.00000
    123       1.1759      0.00000
    124       1.5173      0.00000
    125       1.5769      0.00000
    126       1.7178      0.00000
    127       1.7799      0.00000
    128       1.8305      0.00000
    129       1.9546      0.00000
    130       2.0047      0.00000
    131       2.1761      0.00000
    132       2.2805      0.00000
    133       2.4257      0.00000
    134       2.4351      0.00000
    135       2.4993      0.00000
    136       2.6025      0.00000
    137       2.6188      0.00000
    138       2.7114      0.00000
    139       2.7629      0.00000
    140       2.8783      0.00000
    141       3.0487      0.00000
    142       3.0902      0.00000
    143       3.1777      0.00000
    144       3.2290      0.00000
    145       3.2411      0.00000
    146       3.3037      0.00000
    147       3.3601      0.00000
    148       3.4615      0.00000
    149       3.5363      0.00000
    150       3.7006      0.00000
    151       3.7199      0.00000
    152       3.7559      0.00000
    153       3.8363      0.00000
    154       3.8882      0.00000
    155       3.9427      0.00000
    156       3.9830      0.00000
    157       4.0011      0.00000
    158       4.0240      0.00000
    159       4.0425      0.00000
    160       4.0816      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3886      1.00000
      2     -21.8298      1.00000
      3     -21.6405      1.00000
      4     -21.6055      1.00000
      5     -21.2779      1.00000
      6     -21.2308      1.00000
      7     -21.0555      1.00000
      8     -20.1705      1.00000
      9     -20.1244      1.00000
     10     -19.6161      1.00000
     11     -19.5899      1.00000
     12     -19.4146      1.00000
     13     -19.0937      1.00000
     14     -19.0551      1.00000
     15     -19.0507      1.00000
     16     -19.0378      1.00000
     17     -18.3659      1.00000
     18     -18.3462      1.00000
     19     -18.0156      1.00000
     20     -17.0714      1.00000
     21     -17.0225      1.00000
     22     -16.9489      1.00000
     23     -16.9351      1.00000
     24     -16.4743      1.00000
     25     -16.4623      1.00000
     26     -15.6085      1.00000
     27     -15.6080      1.00000
     28     -15.2487      1.00000
     29     -15.2367      1.00000
     30     -15.1905      1.00000
     31     -15.1005      1.00000
     32     -15.0676      1.00000
     33     -14.6974      1.00000
     34     -14.6965      1.00000
     35     -13.7241      1.00000
     36     -13.7240      1.00000
     37     -13.2343      1.00000
     38     -12.6235      1.00000
     39     -12.5794      1.00000
     40     -12.4537      1.00000
     41     -12.4483      1.00000
     42     -12.1041      1.00000
     43     -12.0992      1.00000
     44     -11.7208      1.00000
     45     -11.6821      1.00000
     46     -11.2448      1.00000
     47     -11.2242      1.00000
     48     -11.0166      1.00000
     49     -11.0049      1.00000
     50     -10.9267      1.00000
     51     -10.8980      1.00000
     52     -10.6361      1.00000
     53     -10.1715      1.00000
     54     -10.1485      1.00000
     55     -10.0839      1.00000
     56      -9.9911      1.00000
     57      -9.6952      1.00000
     58      -9.6886      1.00000
     59      -9.6693      1.00000
     60      -9.5907      1.00000
     61      -9.5667      1.00000
     62      -9.5527      1.00000
     63      -9.3117      1.00000
     64      -9.2990      1.00000
     65      -9.2822      1.00000
     66      -9.2424      1.00000
     67      -9.1211      1.00000
     68      -9.1115      1.00000
     69      -9.1098      1.00000
     70      -8.9384      1.00000
     71      -8.8747      1.00000
     72      -8.6043      1.00000
     73      -8.5855      1.00000
     74      -8.2702      1.00000
     75      -8.1006      1.00000
     76      -7.8670      1.00000
     77      -7.8425      1.00000
     78      -7.7898      1.00000
     79      -7.7639      1.00000
     80      -7.7548      1.00000
     81      -7.4471      1.00000
     82      -7.3339      1.00000
     83      -7.3225      1.00000
     84      -7.2652      1.00000
     85      -7.1615      1.00000
     86      -7.0144      1.00000
     87      -6.9855      1.00000
     88      -6.7168      1.00000
     89      -6.6896      1.00000
     90      -6.6306      1.00000
     91      -6.5896      1.00000
     92      -6.1170      1.00000
     93      -6.0583      1.00000
     94      -6.0438      1.00000
     95      -6.0280      1.00000
     96      -5.7468      1.00000
     97      -4.9743      1.00000
     98      -4.8390      1.00000
     99      -4.7081      1.00000
    100      -4.6725      1.00000
    101      -4.4833      1.00000
    102      -4.3520      1.00000
    103      -4.1114      1.00000
    104      -4.0551      1.00000
    105      -3.7546      1.00000
    106      -3.4651      1.00000
    107      -1.9503      0.00000
    108      -1.7706      0.00000
    109      -1.4794      0.00000
    110      -1.3552      0.00000
    111      -1.3355      0.00000
    112      -1.2923      0.00000
    113      -0.6780      0.00000
    114      -0.4714      0.00000
    115      -0.2353      0.00000
    116       0.0528      0.00000
    117       0.5977      0.00000
    118       0.6925      0.00000
    119       0.7706      0.00000
    120       1.0243      0.00000
    121       1.0969      0.00000
    122       1.1803      0.00000
    123       1.2539      0.00000
    124       1.3422      0.00000
    125       1.4458      0.00000
    126       1.6161      0.00000
    127       1.7498      0.00000
    128       1.8470      0.00000
    129       1.8569      0.00000
    130       1.8931      0.00000
    131       2.0424      0.00000
    132       2.2264      0.00000
    133       2.2502      0.00000
    134       2.3041      0.00000
    135       2.4853      0.00000
    136       2.6077      0.00000
    137       2.6402      0.00000
    138       2.7745      0.00000
    139       2.7897      0.00000
    140       2.8342      0.00000
    141       2.8404      0.00000
    142       2.8517      0.00000
    143       2.9257      0.00000
    144       3.1091      0.00000
    145       3.3192      0.00000
    146       3.3418      0.00000
    147       3.3822      0.00000
    148       3.4088      0.00000
    149       3.4303      0.00000
    150       3.5937      0.00000
    151       3.6353      0.00000
    152       3.6819      0.00000
    153       3.7393      0.00000
    154       3.9031      0.00000
    155       3.9346      0.00000
    156       3.9556      0.00000
    157       4.1081      0.00000
    158       4.2135      0.00000
    159       4.2634      0.00000
    160       4.2877      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2087      1.00000
      2     -22.1179      1.00000
      3     -21.9556      1.00000
      4     -21.4037      1.00000
      5     -21.0451      1.00000
      6     -21.0167      1.00000
      7     -20.4951      1.00000
      8     -20.4651      1.00000
      9     -20.2852      1.00000
     10     -20.2832      1.00000
     11     -19.9557      1.00000
     12     -19.8926      1.00000
     13     -18.8825      1.00000
     14     -18.8149      1.00000
     15     -18.3366      1.00000
     16     -18.3176      1.00000
     17     -18.1481      1.00000
     18     -18.1406      1.00000
     19     -17.8147      1.00000
     20     -17.7967      1.00000
     21     -17.2574      1.00000
     22     -17.2378      1.00000
     23     -17.1590      1.00000
     24     -17.1347      1.00000
     25     -16.1155      1.00000
     26     -15.8795      1.00000
     27     -15.8684      1.00000
     28     -15.8400      1.00000
     29     -15.2298      1.00000
     30     -14.5501      1.00000
     31     -14.5317      1.00000
     32     -14.2746      1.00000
     33     -13.9740      1.00000
     34     -13.9504      1.00000
     35     -13.8241      1.00000
     36     -13.8018      1.00000
     37     -13.6031      1.00000
     38     -13.5778      1.00000
     39     -13.3690      1.00000
     40     -12.6377      1.00000
     41     -12.1680      1.00000
     42     -12.1417      1.00000
     43     -12.0670      1.00000
     44     -12.0201      1.00000
     45     -11.6640      1.00000
     46     -11.6593      1.00000
     47     -11.1361      1.00000
     48     -11.1250      1.00000
     49     -10.7896      1.00000
     50     -10.7334      1.00000
     51     -10.5348      1.00000
     52     -10.2073      1.00000
     53     -10.2011      1.00000
     54     -10.1692      1.00000
     55     -10.0218      1.00000
     56      -9.9931      1.00000
     57      -9.9892      1.00000
     58      -9.8041      1.00000
     59      -9.7949      1.00000
     60      -9.7640      1.00000
     61      -9.7562      1.00000
     62      -9.4538      1.00000
     63      -9.4164      1.00000
     64      -9.0839      1.00000
     65      -9.0450      1.00000
     66      -9.0245      1.00000
     67      -8.9690      1.00000
     68      -8.8967      1.00000
     69      -8.7072      1.00000
     70      -8.6980      1.00000
     71      -8.5594      1.00000
     72      -8.5486      1.00000
     73      -8.4769      1.00000
     74      -8.4587      1.00000
     75      -8.4558      1.00000
     76      -8.3074      1.00000
     77      -8.0940      1.00000
     78      -8.0881      1.00000
     79      -7.9258      1.00000
     80      -7.8309      1.00000
     81      -7.6000      1.00000
     82      -7.5364      1.00000
     83      -7.4424      1.00000
     84      -7.3146      1.00000
     85      -6.9932      1.00000
     86      -6.9185      1.00000
     87      -6.8815      1.00000
     88      -6.5272      1.00000
     89      -6.5141      1.00000
     90      -6.4802      1.00000
     91      -6.4197      1.00000
     92      -5.9261      1.00000
     93      -5.9043      1.00000
     94      -5.7879      1.00000
     95      -5.7740      1.00000
     96      -5.3685      1.00000
     97      -5.3623      1.00000
     98      -5.2192      1.00000
     99      -5.2146      1.00000
    100      -5.1980      1.00000
    101      -4.7199      1.00000
    102      -4.4421      1.00000
    103      -4.1906      1.00000
    104      -3.8202      1.00000
    105      -3.5652      1.00000
    106      -3.2210      1.00000
    107      -2.5619      0.00000
    108      -1.4630      0.00000
    109      -1.2667      0.00000
    110      -1.1848      0.00000
    111      -1.1833      0.00000
    112      -0.6444      0.00000
    113      -0.5512      0.00000
    114      -0.4145      0.00000
    115      -0.3473      0.00000
    116      -0.0771      0.00000
    117      -0.0631      0.00000
    118       0.1271      0.00000
    119       0.5932      0.00000
    120       0.6278      0.00000
    121       0.8646      0.00000
    122       0.9961      0.00000
    123       1.0112      0.00000
    124       1.5015      0.00000
    125       1.6934      0.00000
    126       1.7911      0.00000
    127       1.8774      0.00000
    128       2.1104      0.00000
    129       2.1287      0.00000
    130       2.1795      0.00000
    131       2.2106      0.00000
    132       2.2510      0.00000
    133       2.3371      0.00000
    134       2.4919      0.00000
    135       2.5039      0.00000
    136       2.6782      0.00000
    137       2.8528      0.00000
    138       2.8614      0.00000
    139       2.9642      0.00000
    140       3.0101      0.00000
    141       3.0485      0.00000
    142       3.1459      0.00000
    143       3.1629      0.00000
    144       3.2528      0.00000
    145       3.2572      0.00000
    146       3.2837      0.00000
    147       3.3110      0.00000
    148       3.3632      0.00000
    149       3.4295      0.00000
    150       3.5610      0.00000
    151       3.5742      0.00000
    152       3.6573      0.00000
    153       3.6615      0.00000
    154       3.6768      0.00000
    155       3.7113      0.00000
    156       3.9067      0.00000
    157       3.9663      0.00000
    158       4.0500      0.00000
    159       4.0973      0.00000
    160       4.2029      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2822      1.00000
      2     -22.0776      1.00000
      3     -21.7193      1.00000
      4     -21.6801      1.00000
      5     -20.9818      1.00000
      6     -20.9341      1.00000
      7     -20.6104      1.00000
      8     -20.5781      1.00000
      9     -20.5646      1.00000
     10     -20.0312      1.00000
     11     -19.5125      1.00000
     12     -19.4825      1.00000
     13     -19.3105      1.00000
     14     -19.2975      1.00000
     15     -18.4486      1.00000
     16     -18.4055      1.00000
     17     -17.9267      1.00000
     18     -17.9063      1.00000
     19     -17.7649      1.00000
     20     -17.7200      1.00000
     21     -17.4408      1.00000
     22     -17.4223      1.00000
     23     -17.3370      1.00000
     24     -16.4704      1.00000
     25     -16.4600      1.00000
     26     -15.9695      1.00000
     27     -15.4100      1.00000
     28     -15.4091      1.00000
     29     -15.0950      1.00000
     30     -15.0920      1.00000
     31     -14.8520      1.00000
     32     -14.8397      1.00000
     33     -14.2969      1.00000
     34     -14.2532      1.00000
     35     -13.4434      1.00000
     36     -13.3996      1.00000
     37     -13.1742      1.00000
     38     -13.1729      1.00000
     39     -12.9844      1.00000
     40     -12.9755      1.00000
     41     -12.6098      1.00000
     42     -12.6077      1.00000
     43     -12.1958      1.00000
     44     -11.5787      1.00000
     45     -11.5375      1.00000
     46     -11.3125      1.00000
     47     -11.2822      1.00000
     48     -11.1411      1.00000
     49     -10.6918      1.00000
     50     -10.6625      1.00000
     51     -10.5461      1.00000
     52     -10.3212      1.00000
     53     -10.3135      1.00000
     54     -10.1745      1.00000
     55     -10.1208      1.00000
     56     -10.1074      1.00000
     57      -9.8104      1.00000
     58      -9.7514      1.00000
     59      -9.7511      1.00000
     60      -9.7011      1.00000
     61      -9.6973      1.00000
     62      -9.6456      1.00000
     63      -9.3517      1.00000
     64      -9.3502      1.00000
     65      -9.3173      1.00000
     66      -9.0269      1.00000
     67      -8.9605      1.00000
     68      -8.9566      1.00000
     69      -8.7742      1.00000
     70      -8.5911      1.00000
     71      -8.5873      1.00000
     72      -8.4226      1.00000
     73      -8.3484      1.00000
     74      -8.3216      1.00000
     75      -8.3011      1.00000
     76      -8.2649      1.00000
     77      -8.2535      1.00000
     78      -8.2387      1.00000
     79      -7.9204      1.00000
     80      -7.7330      1.00000
     81      -7.3788      1.00000
     82      -7.3494      1.00000
     83      -7.3238      1.00000
     84      -7.2166      1.00000
     85      -7.1594      1.00000
     86      -7.0642      1.00000
     87      -6.9598      1.00000
     88      -6.9042      1.00000
     89      -6.6130      1.00000
     90      -6.5559      1.00000
     91      -6.2706      1.00000
     92      -5.9956      1.00000
     93      -5.9584      1.00000
     94      -5.6744      1.00000
     95      -5.6479      1.00000
     96      -5.3865      1.00000
     97      -5.3140      1.00000
     98      -5.2930      1.00000
     99      -5.2111      1.00000
    100      -5.1995      1.00000
    101      -4.5113      1.00000
    102      -4.3386      1.00000
    103      -3.9961      1.00000
    104      -3.8855      1.00000
    105      -3.7925      1.00000
    106      -3.4429      1.00000
    107      -2.0341      0.00000
    108      -1.8628      0.00000
    109      -1.2174      0.00000
    110      -1.1836      0.00000
    111      -1.0355      0.00000
    112      -0.7720      0.00000
    113      -0.6769      0.00000
    114      -0.6597      0.00000
    115      -0.6094      0.00000
    116      -0.1005      0.00000
    117       0.2226      0.00000
    118       0.2408      0.00000
    119       0.7801      0.00000
    120       0.9928      0.00000
    121       1.0759      0.00000
    122       1.2439      0.00000
    123       1.2534      0.00000
    124       1.3494      0.00000
    125       1.5832      0.00000
    126       1.5856      0.00000
    127       1.7209      0.00000
    128       1.7984      0.00000
    129       1.9601      0.00000
    130       1.9836      0.00000
    131       2.0564      0.00000
    132       2.2657      0.00000
    133       2.3422      0.00000
    134       2.4302      0.00000
    135       2.5576      0.00000
    136       2.6357      0.00000
    137       2.7326      0.00000
    138       2.8001      0.00000
    139       2.8549      0.00000
    140       2.8712      0.00000
    141       3.0501      0.00000
    142       3.1117      0.00000
    143       3.1703      0.00000
    144       3.2295      0.00000
    145       3.3786      0.00000
    146       3.4204      0.00000
    147       3.5144      0.00000
    148       3.5608      0.00000
    149       3.5933      0.00000
    150       3.6125      0.00000
    151       3.6586      0.00000
    152       3.7432      0.00000
    153       3.7560      0.00000
    154       3.7660      0.00000
    155       3.7842      0.00000
    156       3.8782      0.00000
    157       4.0237      0.00000
    158       4.0993      0.00000
    159       4.1805      0.00000
    160       4.2250      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0427   -7.3902    4.1985   -1.2760   -0.2387   17.5959    0.1472   -0.5323    0.6338   -0.4649
x    -3.0921   -0.0374   -0.0632    0.0616   -0.0091   -2.9776   -0.0110   -0.0070    0.0049    0.0016
x    -0.0966    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0427    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0940   -0.0087    0.0374    0.0377
y    -0.0459   -3.2472   -0.5381   -0.1636   -1.1811   -0.6054
z   204.0427    1.1261   -0.2804    0.0409    0.0090    0.0616    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0776    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1535
z    -0.2833    0.1871   -0.0389    0.0471   -0.1050    0.0013
 total charge-density along one line
x   212.0000  -10.2204    6.1465   -2.0860   -0.4745   19.5129   -0.9961    0.4744   -0.0450   -0.1261
x    -2.6452   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2204    6.1465   -2.0860   -0.4745   19.5129   -0.9961    0.4744   -0.0450   -0.1261
y    -2.6452   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4926  189.2919 -170.3639  153.6414 -139.4226  125.4147 -110.0988   93.9511  -78.3374
z    64.1295  -51.4794   40.4166  -31.2129   24.1173  -18.9353   15.0231  -11.7121    8.7098   -6.1168
z     4.1276   -2.7565    1.8197   -1.1097    0.5389   -0.1264   -0.1117    0.2282   -0.3096    0.4001
z    -0.4767    0.4933   -0.4400    0.3549   -0.2860    0.2511   -0.2333    0.2086   -0.1709    0.1317
z    -0.1037    0.0880   -0.0768    0.0636   -0.0490    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.312   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.030   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.312   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.312   0.000   0.000   0.158   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.585  -0.238   0.000   0.058   0.000   0.000
  0.000  -0.312   0.000   0.629   0.000   0.000  -0.191   0.000   0.379   0.000   0.000   0.000  -0.051   0.000   0.069   0.006
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.369  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.264   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.045   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.262   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.781   0.000   2.645
 22        0.864   1.771   0.000   2.634
 23        0.864   1.782   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.645
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.645
 36        0.864   1.771   0.000   2.634
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.647
 40        0.863   1.786   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.867  89.424   8.029 142.321
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  116.45: CPU time   58.61
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  455.92: CPU time  228.78
    STRESS:  VPU time 1332.80: CPU time  670.66
    FORCOR:  VPU time    8.66: CPU time    8.66
    FORHAR:  VPU time    2.26: CPU time    2.26
    MIXING:  VPU time    0.17: CPU time    0.17
 d Force = 0.4907376E-08[ 0.235E-07,-0.137E-07]  d Energy =-0.2812869E-05 0.282E-05
 d Force = 0.8587901E-02[ 0.859E-02, 0.859E-02]  d Ewald  = 0.2404630E-01-0.155E-01


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726407 eV

  energy  without entropy=     -471.726407  energy(sigma->0) =     -471.726407
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40837.67  40792.17 -47535.99    -39.41      0.00      0.00
  Hartree  40262.10  40243.00 -39520.77    -16.54      0.00      0.00
  E(xc)     -779.43   -779.72   -807.37     -0.25      0.00      0.00
  Local   -83383.82 -83328.24  84371.55     48.14      0.00      0.00
  n-local   -216.80   -215.67   -203.36      0.71      0.00      0.00
  augment     20.06     22.05     17.81      1.73      0.00      0.00
  Kinetic   3162.36   3176.01   3583.94      3.47      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.19     -0.20     -0.25     -0.01      0.00      0.00
  in kB       -0.12     -0.12     -0.15     -0.01      0.00      0.00
  external pressure =       -0.13 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345849604  0.000938002  0.000000000     0.080995328  0.046754537  0.000000000
    -6.172119110 10.692284467  0.000000000    -0.000007105  0.093521281  0.000000000
     0.000000000  0.000000000 19.983632476     0.000000000  0.000000000  0.050040952

  length of vectors
    12.345849639 12.345849563 19.983632476     0.093521281  0.093521282  0.050040952


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.473E-05 -.490E-04 -.951E+03   0.449E-05 -.278E-04 0.960E+03   -.508E-20 -.169E-20 -.870E+01   -.159E-07 0.879E-08 0.537E-03
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   0.776E-04 -.455E-04 -.562E-03
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   -.776E-04 0.455E-04 -.562E-03
   -.205E+01 0.118E+01 0.163E+02   0.205E+01 -.119E+01 -.163E+02   -.293E-02 0.169E-02 -.240E-01   -.372E-03 0.212E-03 0.150E-03
   0.617E+01 0.684E+01 0.194E+02   -.617E+01 -.686E+01 -.193E+02   0.852E-03 0.210E-01 -.273E-01   0.200E-03 -.647E-03 0.217E-03
   0.112E+02 0.509E+01 0.161E+02   -.112E+02 -.510E+01 -.161E+02   0.202E-01 0.818E-02 -.482E-01   -.244E-03 0.317E-03 0.269E-03
   0.472E+01 -.888E+00 0.126E+02   -.474E+01 0.896E+00 -.126E+02   0.148E-01 -.746E-02 -.179E-01   -.119E-04 0.197E-03 0.312E-03
   -.308E+01 -.253E+01 0.126E+02   0.307E+01 0.253E+01 -.126E+02   -.118E-02 0.259E-02 -.129E-01   -.185E-03 0.269E-03 0.185E-03
   0.653E+00 0.393E+01 0.126E+02   -.654E+00 -.393E+01 -.126E+02   -.283E-02 -.269E-03 -.129E-01   -.331E-03 0.191E-04 0.182E-03
   0.242E+01 0.189E+02 0.240E+02   -.243E+01 -.190E+02 -.240E+02   -.214E-02 0.103E+00 -.483E-01   0.198E-03 0.100E-02 0.355E-03
   0.227E+02 0.214E+02 0.423E+02   -.227E+02 -.216E+02 -.422E+02   0.769E-01 0.262E+00 -.607E-01   -.124E-02 0.208E-03 0.592E-03
   0.268E+02 -.344E+01 0.256E+02   -.271E+02 0.355E+01 -.256E+02   0.269E+00 -.109E+00 -.336E-01   0.250E-03 -.330E-05 0.424E-03
   0.914E+01 -.528E+01 0.136E+02   -.919E+01 0.530E+01 -.136E+02   0.422E-01 -.244E-01 -.121E-01   0.109E-03 -.692E-04 0.147E-03
   0.313E+01 -.365E+01 0.126E+02   -.315E+01 0.366E+01 -.126E+02   0.139E-01 -.908E-02 -.179E-01   -.178E-03 -.923E-04 0.305E-03
   -.592E+01 0.136E+02 0.161E+02   0.592E+01 -.137E+02 -.161E+02   -.135E-02 0.715E-01 -.518E-01   -.255E-03 -.199E-03 0.300E-03
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.369E+02 -.481E+02   -.314E-01 0.613E+00 0.294E+00   0.220E-04 -.245E-03 0.625E-03
   0.237E+02 -.137E+02 0.941E+02   -.243E+02 0.140E+02 -.961E+02   0.637E+00 -.368E+00 0.205E+01   -.814E-04 0.443E-04 0.369E-03
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.229E+00 -.179E+00 -.336E-01   0.125E-03 -.222E-03 0.420E-03
   0.119E+01 -.122E+02 0.161E+02   -.120E+01 0.123E+02 -.161E+02   0.303E-02 -.216E-01 -.482E-01   -.393E-03 0.513E-04 0.264E-03
   -.414E+01 0.192E+01 0.116E+02   0.414E+01 -.193E+01 -.116E+02   -.173E-03 0.984E-02 -.438E-01   -.320E-03 0.701E-04 0.204E-03
   -.193E+02 0.111E+02 0.218E+02   0.193E+02 -.112E+02 -.217E+02   -.503E-01 0.291E-01 -.430E-01   -.190E-05 0.486E-05 0.259E-03
   -.373E+02 -.786E+01 0.478E+02   0.379E+02 0.814E+01 -.481E+02   -.546E+00 -.279E+00 0.294E+00   0.226E-03 0.103E-03 0.628E-03
   -.717E+01 -.303E+02 0.423E+02   0.736E+01 0.305E+02 -.422E+02   -.189E+00 -.198E+00 -.607E-01   -.798E-03 0.968E-03 0.591E-03
   -.284E+01 -.876E+01 0.194E+02   0.286E+01 0.877E+01 -.193E+02   -.177E-01 -.112E-01 -.273E-01   0.662E-03 0.149E-03 0.216E-03
   0.139E+01 -.805E+00 0.134E+02   -.140E+01 0.806E+00 -.134E+02   -.538E-04 0.311E-04 -.179E-01   -.391E-03 0.228E-03 0.146E-03
   -.373E+01 0.262E+01 0.116E+02   0.374E+01 -.262E+01 -.116E+02   -.861E-02 -.477E-02 -.438E-01   -.219E-03 0.247E-03 0.209E-03
   -.148E+02 -.169E+01 0.161E+02   0.148E+02 0.173E+01 -.161E+02   -.626E-01 -.346E-01 -.518E-01   0.465E-04 0.318E-03 0.307E-03
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.906E-01 -.499E-01 -.483E-01   -.765E-03 -.677E-03 0.357E-03
   0.284E+01 0.876E+01 0.194E+02   -.286E+01 -.877E+01 -.193E+02   0.177E-01 0.112E-01 -.273E-01   -.662E-03 -.149E-03 0.216E-03
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.906E-01 0.499E-01 -.483E-01   0.765E-03 0.677E-03 0.357E-03
   0.148E+02 0.169E+01 0.161E+02   -.148E+02 -.173E+01 -.161E+02   0.626E-01 0.346E-01 -.518E-01   -.465E-04 -.318E-03 0.307E-03
   0.373E+01 -.262E+01 0.116E+02   -.374E+01 0.262E+01 -.116E+02   0.861E-02 0.477E-02 -.438E-01   0.219E-03 -.247E-03 0.209E-03
   -.139E+01 0.805E+00 0.134E+02   0.140E+01 -.806E+00 -.134E+02   0.538E-04 -.311E-04 -.179E-01   0.391E-03 -.228E-03 0.146E-03
   -.119E+01 0.122E+02 0.161E+02   0.120E+01 -.123E+02 -.161E+02   -.303E-02 0.216E-01 -.482E-01   0.393E-03 -.513E-04 0.264E-03
   0.717E+01 0.303E+02 0.423E+02   -.736E+01 -.305E+02 -.422E+02   0.189E+00 0.198E+00 -.607E-01   0.798E-03 -.968E-03 0.591E-03
   0.373E+02 0.786E+01 0.478E+02   -.379E+02 -.814E+01 -.481E+02   0.546E+00 0.279E+00 0.294E+00   -.226E-03 -.103E-03 0.628E-03
   0.193E+02 -.111E+02 0.218E+02   -.193E+02 0.112E+02 -.217E+02   0.503E-01 -.291E-01 -.430E-01   0.191E-05 -.486E-05 0.259E-03
   0.414E+01 -.192E+01 0.116E+02   -.414E+01 0.193E+01 -.116E+02   0.173E-03 -.984E-02 -.438E-01   0.320E-03 -.701E-04 0.204E-03
   -.313E+01 0.365E+01 0.126E+02   0.315E+01 -.366E+01 -.126E+02   -.139E-01 0.908E-02 -.179E-01   0.178E-03 0.923E-04 0.305E-03
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.229E+00 0.179E+00 -.336E-01   -.125E-03 0.222E-03 0.420E-03
   -.237E+02 0.137E+02 0.941E+02   0.243E+02 -.140E+02 -.961E+02   -.637E+00 0.368E+00 0.205E+01   0.814E-04 -.443E-04 0.369E-03
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.369E+02 -.481E+02   0.314E-01 -.613E+00 0.294E+00   -.220E-04 0.245E-03 0.625E-03
   0.592E+01 -.136E+02 0.161E+02   -.592E+01 0.137E+02 -.161E+02   0.135E-02 -.715E-01 -.518E-01   0.255E-03 0.199E-03 0.300E-03
   -.653E+00 -.393E+01 0.126E+02   0.654E+00 0.393E+01 -.126E+02   0.283E-02 0.269E-03 -.129E-01   0.331E-03 -.191E-04 0.182E-03
   -.914E+01 0.528E+01 0.136E+02   0.919E+01 -.530E+01 -.136E+02   -.422E-01 0.244E-01 -.121E-01   -.109E-03 0.692E-04 0.147E-03
   -.268E+02 0.344E+01 0.256E+02   0.271E+02 -.355E+01 -.256E+02   -.269E+00 0.109E+00 -.336E-01   -.250E-03 0.330E-05 0.424E-03
   -.227E+02 -.214E+02 0.423E+02   0.227E+02 0.216E+02 -.422E+02   -.769E-01 -.262E+00 -.607E-01   0.124E-02 -.208E-03 0.592E-03
   -.242E+01 -.189E+02 0.240E+02   0.243E+01 0.190E+02 -.240E+02   0.214E-02 -.103E+00 -.483E-01   -.198E-03 -.100E-02 0.355E-03
   0.205E+01 -.118E+01 0.163E+02   -.205E+01 0.119E+01 -.163E+02   0.293E-02 -.169E-02 -.240E-01   0.372E-03 -.212E-03 0.150E-03
   0.308E+01 0.253E+01 0.126E+02   -.307E+01 -.253E+01 -.126E+02   0.118E-02 -.259E-02 -.129E-01   0.185E-03 -.269E-03 0.185E-03
   -.472E+01 0.887E+00 0.126E+02   0.474E+01 -.896E+00 -.126E+02   -.148E-01 0.746E-02 -.179E-01   0.119E-04 -.197E-03 0.312E-03
   -.112E+02 -.509E+01 0.161E+02   0.112E+02 0.510E+01 -.161E+02   -.202E-01 -.818E-02 -.482E-01   0.244E-03 -.317E-03 0.269E-03
   -.617E+01 -.684E+01 0.194E+02   0.617E+01 0.686E+01 -.193E+02   -.852E-03 -.210E-01 -.273E-01   -.200E-03 0.647E-03 0.217E-03
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.290E-03 0.100E+02   0.604E-13 -.229E-12 0.320E-13   -.216E-15 0.971E-16 -.100E+02   -.230E-07 0.168E-07 0.155E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85233      6.05937     12.26277         0.000000      0.000000      0.006904
      1.07516      6.50807     13.52198        -0.000731      0.000422      0.013735
      2.62950      5.61067     13.52198         0.000731     -0.000422      0.013735
      0.00014     -0.00008      9.90943        -0.001623      0.000937      0.000372
     -1.23477      2.13699      9.90810        -0.000481      0.000821      0.000140
     -2.47002      4.27664      9.92810        -0.002528      0.001820     -0.000381
     -3.70372      6.41546      9.93584        -0.001801      0.001330     -0.001075
     -4.93746      8.55381      9.92636        -0.003698      0.002049     -0.000207
      2.46931     -0.00001      9.92636        -0.003623      0.002178     -0.000207
      1.23402      2.13681      9.91765        -0.002739      0.001705     -0.000915
     -0.00257      4.27104      9.93021        -0.003898      0.003397     -0.002249
     -1.23827      6.41611      9.95225         0.000165      0.001113     -0.000878
     -2.46886      8.55421      9.93765        -0.001113      0.000643      0.000738
      4.93804      0.00072      9.93584        -0.002052      0.000895     -0.001075
      3.70435      2.13694      9.93910        -0.001650     -0.000472     -0.001014
      2.47006      4.26880      9.96679        -0.003266      0.001064     -0.002558
      1.22927      6.41909      9.97301        -0.004123      0.002381     -0.000128
     -0.00192      8.55754      9.95225        -0.000881     -0.000699     -0.000878
      7.40716      0.00171      9.92810        -0.002840      0.001279     -0.000381
      6.17281      2.13908      9.93442        -0.002529      0.001579     -0.000360
      4.93926      4.27713      9.94711         0.000705     -0.000407      0.000383
      3.71187      6.41969      9.96679        -0.002554      0.002297     -0.002558
      2.47362      8.55993      9.93021        -0.004891      0.001678     -0.002249
      9.87778      0.00179      9.90810        -0.000951      0.000006      0.000140
      8.64214      2.13927      9.91928        -0.003124      0.001804      0.000445
      7.40764      4.27787      9.93442        -0.002632      0.001401     -0.000360
      6.17527      6.41670      9.93910        -0.000416      0.001665     -0.001014
      4.94021      8.55612      9.91765        -0.002846      0.001520     -0.000915
     -0.00099      1.42467      9.90810         0.000951     -0.000006      0.000140
     -1.23555      3.56261      9.91765         0.002846     -0.001520     -0.000915
     -2.47060      5.70204      9.93910         0.000416     -0.001665     -0.001014
     -3.70297      7.84087      9.93442         0.002632     -0.001401     -0.000360
     -4.93747      9.97946      9.91928         0.003124     -0.001804      0.000445
      2.46963      1.42474      9.92810         0.002840     -0.001279     -0.000381
      1.23105      3.55881      9.93021         0.004891     -0.001678     -0.002249
     -0.00720      5.69905      9.96679         0.002554     -0.002297     -0.002558
     -1.23459      7.84160      9.94711        -0.000705      0.000407      0.000383
     -2.46815      9.97965      9.93442         0.002529     -0.001579     -0.000360
      4.93875      1.42573      9.93584         0.002052     -0.000895     -0.001075
      3.70659      3.56120      9.95225         0.000881      0.000699     -0.000878
      2.47539      5.69964      9.97301         0.004123     -0.002381     -0.000128
      1.23461      7.84993      9.96679         0.003266     -0.001064     -0.002558
      0.00032      9.98180      9.93910         0.001650      0.000472     -0.001014
      7.40748      1.42646      9.92636         0.003623     -0.002178     -0.000207
      6.17353      3.56453      9.93765         0.001113     -0.000643      0.000738
      4.94294      5.70262      9.95225        -0.000165     -0.001113     -0.000878
      3.70724      7.84770      9.93021         0.003898     -0.003397     -0.002249
      2.47064      9.98193      9.91765         0.002739     -0.001705     -0.000915
      9.87665      1.42653      9.90943         0.001623     -0.000937      0.000372
      8.64213      3.56493      9.92636         0.003698     -0.002049     -0.000207
      7.40839      5.70328      9.93584         0.001801     -0.001330     -0.001075
      6.17469      7.84209      9.92810         0.002528     -0.001820     -0.000381
      4.93944      9.98175      9.90810         0.000481     -0.000821      0.000140
 -----------------------------------------------------------------------------------
    total drift:                               -0.001802      0.000290      0.006930


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.95: CPU time    1.95
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.35
    ORTHCH:  VPU time  183.19: CPU time   92.07
     LOOP+:  VPU time 4991.00: CPU time 2564.65


----------------------------------------- Iteration   43(   1)  ---------------------------------------


    POTLOK:  VPU time    9.17: CPU time    9.05
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1356.04: CPU time  701.12
 BZINTS: Fermi energy: -3.206688;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  115.34: CPU time   58.10
    MIXING:  VPU time    0.14: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1481.10: CPU time  768.79

 eigenvalue-minimisations  :  3960
 total energy-change (2. order) :-0.4717264E+03  (-0.3932202E-06)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9573576 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.14283E-03    rms(broyden)= 0.14282E-03
  rms(prec ) = 0.18011E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34093.83181806
  -1/2 Hartree   DENC   =    -40984.52051774
  -V(xc)+E(xc)   XCENC  =       726.57631328
  PAW double counting   =      4093.59392162    -4131.93995618
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.70783991
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72640726 eV

  energy without entropy =     -471.72640726  energy(sigma->0) =     -471.72640726


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   43(   2)  ---------------------------------------


    POTLOK:  VPU time    9.09: CPU time    9.09
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1401.07: CPU time  721.80
 BZINTS: Fermi energy: -3.206943;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1410.56: CPU time  731.26

 eigenvalue-minimisations  :  4104
 total energy-change (2. order) :-0.1032520E-05  (-0.1159576E-06)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9573576 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34093.83181806
  -1/2 Hartree   DENC   =    -40984.49092908
  -V(xc)+E(xc)   XCENC  =       726.57592971
  PAW double counting   =      4093.60015334    -4131.94631787
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.73691607
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72640830 eV

  energy without entropy =     -471.72640830  energy(sigma->0) =     -471.72640830


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2183       2 -39.5363       3 -39.5364       4 -58.3139       5 -58.3179
       6 -58.3204       7 -58.3150       8 -58.3153       9 -58.3152      10 -58.3217
      11 -58.3879      12 -58.3518      13 -58.3232      14 -58.3150      15 -58.3248
      16 -58.5429      17 -58.7299      18 -58.3518      19 -58.3204      20 -58.3201
      21 -58.3580      22 -58.5429      23 -58.3879      24 -58.3179      25 -58.3231
      26 -58.3201      27 -58.3248      28 -58.3218      29 -58.3178      30 -58.3216
      31 -58.3247      32 -58.3200      33 -58.3230      34 -58.3203      35 -58.3878
      36 -58.5429      37 -58.3579      38 -58.3200      39 -58.3148      40 -58.3517
      41 -58.7298      42 -58.5429      43 -58.3247      44 -58.3151      45 -58.3231
      46 -58.3517      47 -58.3878      48 -58.3216      49 -58.3138      50 -58.3151
      51 -58.3149      52 -58.3203      53 -58.3178
 
 
 
 E-fermi :  -3.2069     XC(G=0):  -2.3396     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4257      1.00000
      2     -21.6026      1.00000
      3     -21.4808      1.00000
      4     -21.4718      1.00000
      5     -21.4401      1.00000
      6     -21.4394      1.00000
      7     -21.4292      1.00000
      8     -19.7070      1.00000
      9     -19.6519      1.00000
     10     -19.6288      1.00000
     11     -19.6176      1.00000
     12     -19.6124      1.00000
     13     -19.6114      1.00000
     14     -18.7893      1.00000
     15     -18.7539      1.00000
     16     -18.7343      1.00000
     17     -18.7248      1.00000
     18     -18.7174      1.00000
     19     -18.7122      1.00000
     20     -16.6347      1.00000
     21     -16.6084      1.00000
     22     -16.5842      1.00000
     23     -16.5810      1.00000
     24     -16.5537      1.00000
     25     -16.5522      1.00000
     26     -15.6141      1.00000
     27     -15.6013      1.00000
     28     -15.5980      1.00000
     29     -15.5640      1.00000
     30     -15.5622      1.00000
     31     -15.5613      1.00000
     32     -14.2592      1.00000
     33     -14.2500      1.00000
     34     -14.2401      1.00000
     35     -14.2351      1.00000
     36     -14.2218      1.00000
     37     -14.2188      1.00000
     38     -11.9054      1.00000
     39     -11.8785      1.00000
     40     -11.8671      1.00000
     41     -11.8654      1.00000
     42     -11.8444      1.00000
     43     -11.8443      1.00000
     44     -11.7704      1.00000
     45     -11.7680      1.00000
     46     -11.7349      1.00000
     47     -11.7283      1.00000
     48     -11.7245      1.00000
     49     -11.7215      1.00000
     50     -10.6753      1.00000
     51     -10.3880      1.00000
     52     -10.3830      1.00000
     53     -10.3760      1.00000
     54     -10.3682      1.00000
     55     -10.3549      1.00000
     56     -10.3528      1.00000
     57      -9.9034      1.00000
     58      -9.4496      1.00000
     59      -9.4046      1.00000
     60      -9.3616      1.00000
     61      -9.3609      1.00000
     62      -9.3531      1.00000
     63      -9.1417      1.00000
     64      -9.1217      1.00000
     65      -9.1204      1.00000
     66      -9.0844      1.00000
     67      -9.0710      1.00000
     68      -9.0705      1.00000
     69      -9.0703      1.00000
     70      -9.0640      1.00000
     71      -9.0635      1.00000
     72      -9.0383      1.00000
     73      -9.0284      1.00000
     74      -9.0252      1.00000
     75      -8.1295      1.00000
     76      -7.7462      1.00000
     77      -7.4685      1.00000
     78      -7.4659      1.00000
     79      -7.4536      1.00000
     80      -7.4338      1.00000
     81      -7.4239      1.00000
     82      -7.4062      1.00000
     83      -7.3121      1.00000
     84      -7.2701      1.00000
     85      -7.2565      1.00000
     86      -7.2480      1.00000
     87      -7.1496      1.00000
     88      -7.0491      1.00000
     89      -6.4455      1.00000
     90      -6.4154      1.00000
     91      -6.3998      1.00000
     92      -6.3627      1.00000
     93      -6.3521      1.00000
     94      -6.3400      1.00000
     95      -5.9583      1.00000
     96      -5.9580      1.00000
     97      -4.8065      1.00000
     98      -4.5442      1.00000
     99      -4.4809      1.00000
    100      -4.4742      1.00000
    101      -4.3816      1.00000
    102      -4.3812      1.00000
    103      -4.2676      1.00000
    104      -4.1871      1.00000
    105      -3.7391      1.00000
    106      -3.4775      1.00000
    107      -1.8619      0.00000
    108      -1.6704      0.00000
    109      -1.6241      0.00000
    110      -1.5912      0.00000
    111      -1.5757      0.00000
    112      -1.5748      0.00000
    113      -0.4283      0.00000
    114       0.1461      0.00000
    115       0.1918      0.00000
    116       0.2554      0.00000
    117       0.2675      0.00000
    118       0.2712      0.00000
    119       0.4779      0.00000
    120       0.5576      0.00000
    121       1.2594      0.00000
    122       1.2928      0.00000
    123       1.5513      0.00000
    124       1.7745      0.00000
    125       1.7801      0.00000
    126       1.7832      0.00000
    127       1.7840      0.00000
    128       1.8325      0.00000
    129       1.9581      0.00000
    130       1.9718      0.00000
    131       1.9740      0.00000
    132       1.9886      0.00000
    133       1.9958      0.00000
    134       2.0881      0.00000
    135       2.2663      0.00000
    136       2.3444      0.00000
    137       2.6341      0.00000
    138       2.6344      0.00000
    139       2.6653      0.00000
    140       2.7240      0.00000
    141       2.9463      0.00000
    142       3.0286      0.00000
    143       3.0351      0.00000
    144       3.0667      0.00000
    145       3.0680      0.00000
    146       3.0719      0.00000
    147       3.0951      0.00000
    148       3.2875      0.00000
    149       3.4530      0.00000
    150       3.5204      0.00000
    151       3.8245      0.00000
    152       3.9609      0.00000
    153       3.9713      0.00000
    154       3.9732      0.00000
    155       3.9794      0.00000
    156       4.0035      0.00000
    157       4.1907      0.00000
    158       4.2673      0.00000
    159       4.2760      0.00000
    160       4.2890      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3890      1.00000
      2     -21.8299      1.00000
      3     -21.6376      1.00000
      4     -21.6098      1.00000
      5     -21.2741      1.00000
      6     -21.2347      1.00000
      7     -21.0563      1.00000
      8     -20.1671      1.00000
      9     -20.1289      1.00000
     10     -19.6080      1.00000
     11     -19.5969      1.00000
     12     -19.4167      1.00000
     13     -19.0892      1.00000
     14     -19.0593      1.00000
     15     -19.0484      1.00000
     16     -19.0409      1.00000
     17     -18.3601      1.00000
     18     -18.3517      1.00000
     19     -18.0186      1.00000
     20     -17.0688      1.00000
     21     -17.0300      1.00000
     22     -16.9437      1.00000
     23     -16.9393      1.00000
     24     -16.4675      1.00000
     25     -16.4625      1.00000
     26     -15.6135      1.00000
     27     -15.6066      1.00000
     28     -15.2522      1.00000
     29     -15.2431      1.00000
     30     -15.1842      1.00000
     31     -15.0974      1.00000
     32     -15.0705      1.00000
     33     -14.6979      1.00000
     34     -14.6960      1.00000
     35     -13.7260      1.00000
     36     -13.7234      1.00000
     37     -13.2354      1.00000
     38     -12.6139      1.00000
     39     -12.5837      1.00000
     40     -12.4536      1.00000
     41     -12.4499      1.00000
     42     -12.1090      1.00000
     43     -12.1043      1.00000
     44     -11.7165      1.00000
     45     -11.6856      1.00000
     46     -11.2348      1.00000
     47     -11.2256      1.00000
     48     -11.0172      1.00000
     49     -11.0093      1.00000
     50     -10.9260      1.00000
     51     -10.9045      1.00000
     52     -10.6304      1.00000
     53     -10.1546      1.00000
     54     -10.1501      1.00000
     55     -10.0916      1.00000
     56      -9.9979      1.00000
     57      -9.7023      1.00000
     58      -9.6946      1.00000
     59      -9.6552      1.00000
     60      -9.5912      1.00000
     61      -9.5763      1.00000
     62      -9.5581      1.00000
     63      -9.3068      1.00000
     64      -9.3028      1.00000
     65      -9.2733      1.00000
     66      -9.2359      1.00000
     67      -9.1359      1.00000
     68      -9.1150      1.00000
     69      -9.1106      1.00000
     70      -8.9389      1.00000
     71      -8.8715      1.00000
     72      -8.6041      1.00000
     73      -8.5905      1.00000
     74      -8.2360      1.00000
     75      -8.1004      1.00000
     76      -7.9128      1.00000
     77      -7.8632      1.00000
     78      -7.7714      1.00000
     79      -7.7565      1.00000
     80      -7.6915      1.00000
     81      -7.5605      1.00000
     82      -7.3386      1.00000
     83      -7.3225      1.00000
     84      -7.2036      1.00000
     85      -7.1229      1.00000
     86      -7.0315      1.00000
     87      -7.0119      1.00000
     88      -6.7038      1.00000
     89      -6.6773      1.00000
     90      -6.6405      1.00000
     91      -6.5971      1.00000
     92      -6.1158      1.00000
     93      -6.0618      1.00000
     94      -6.0308      1.00000
     95      -6.0106      1.00000
     96      -5.7829      1.00000
     97      -4.9744      1.00000
     98      -4.8316      1.00000
     99      -4.7466      1.00000
    100      -4.6790      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1714      1.00000
    104      -4.1276      1.00000
    105      -3.7294      1.00000
    106      -3.4877      1.00000
    107      -1.8704      0.00000
    108      -1.8088      0.00000
    109      -1.5244      0.00000
    110      -1.3774      0.00000
    111      -1.3213      0.00000
    112      -1.2880      0.00000
    113      -0.7199      0.00000
    114      -0.3758      0.00000
    115      -0.2498      0.00000
    116       0.0379      0.00000
    117       0.5634      0.00000
    118       0.7000      0.00000
    119       0.7468      0.00000
    120       1.0494      0.00000
    121       1.0998      0.00000
    122       1.1542      0.00000
    123       1.2291      0.00000
    124       1.3864      0.00000
    125       1.5319      0.00000
    126       1.5994      0.00000
    127       1.7201      0.00000
    128       1.8003      0.00000
    129       1.8570      0.00000
    130       1.8830      0.00000
    131       2.1008      0.00000
    132       2.2010      0.00000
    133       2.2481      0.00000
    134       2.3208      0.00000
    135       2.5249      0.00000
    136       2.6070      0.00000
    137       2.6170      0.00000
    138       2.7860      0.00000
    139       2.7964      0.00000
    140       2.8249      0.00000
    141       2.8328      0.00000
    142       2.9037      0.00000
    143       2.9351      0.00000
    144       3.1020      0.00000
    145       3.1680      0.00000
    146       3.3236      0.00000
    147       3.3573      0.00000
    148       3.4068      0.00000
    149       3.4748      0.00000
    150       3.6105      0.00000
    151       3.6460      0.00000
    152       3.6704      0.00000
    153       3.7178      0.00000
    154       3.9234      0.00000
    155       3.9661      0.00000
    156       4.0255      0.00000
    157       4.0711      0.00000
    158       4.2496      0.00000
    159       4.2597      0.00000
    160       4.2832      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2830      1.00000
      2     -22.0774      1.00000
      3     -21.7161      1.00000
      4     -21.6842      1.00000
      5     -20.9789      1.00000
      6     -20.9383      1.00000
      7     -20.6113      1.00000
      8     -20.5746      1.00000
      9     -20.5684      1.00000
     10     -20.0321      1.00000
     11     -19.5028      1.00000
     12     -19.4910      1.00000
     13     -19.3062      1.00000
     14     -19.3010      1.00000
     15     -18.4472      1.00000
     16     -18.4105      1.00000
     17     -17.9218      1.00000
     18     -17.9123      1.00000
     19     -17.7612      1.00000
     20     -17.7254      1.00000
     21     -17.4355      1.00000
     22     -17.4279      1.00000
     23     -17.3406      1.00000
     24     -16.4623      1.00000
     25     -16.4611      1.00000
     26     -15.9663      1.00000
     27     -15.4137      1.00000
     28     -15.4083      1.00000
     29     -15.0959      1.00000
     30     -15.0926      1.00000
     31     -14.8547      1.00000
     32     -14.8471      1.00000
     33     -14.2899      1.00000
     34     -14.2570      1.00000
     35     -13.4363      1.00000
     36     -13.4038      1.00000
     37     -13.1770      1.00000
     38     -13.1736      1.00000
     39     -12.9810      1.00000
     40     -12.9762      1.00000
     41     -12.6127      1.00000
     42     -12.6094      1.00000
     43     -12.1974      1.00000
     44     -11.5758      1.00000
     45     -11.5420      1.00000
     46     -11.3100      1.00000
     47     -11.2871      1.00000
     48     -11.1418      1.00000
     49     -10.6760      1.00000
     50     -10.6600      1.00000
     51     -10.5525      1.00000
     52     -10.3232      1.00000
     53     -10.3171      1.00000
     54     -10.1685      1.00000
     55     -10.1150      1.00000
     56     -10.1122      1.00000
     57      -9.7974      1.00000
     58      -9.7647      1.00000
     59      -9.7512      1.00000
     60      -9.6993      1.00000
     61      -9.6968      1.00000
     62      -9.6612      1.00000
     63      -9.3543      1.00000
     64      -9.3507      1.00000
     65      -9.3147      1.00000
     66      -9.0405      1.00000
     67      -8.9619      1.00000
     68      -8.9490      1.00000
     69      -8.7987      1.00000
     70      -8.5942      1.00000
     71      -8.5570      1.00000
     72      -8.3977      1.00000
     73      -8.3642      1.00000
     74      -8.3242      1.00000
     75      -8.3067      1.00000
     76      -8.2586      1.00000
     77      -8.2569      1.00000
     78      -8.2357      1.00000
     79      -7.9041      1.00000
     80      -7.6508      1.00000
     81      -7.5493      1.00000
     82      -7.3862      1.00000
     83      -7.3491      1.00000
     84      -7.2308      1.00000
     85      -7.0956      1.00000
     86      -7.0382      1.00000
     87      -6.9332      1.00000
     88      -6.8476      1.00000
     89      -6.6122      1.00000
     90      -6.5587      1.00000
     91      -6.2694      1.00000
     92      -6.0433      1.00000
     93      -5.9510      1.00000
     94      -5.6623      1.00000
     95      -5.6219      1.00000
     96      -5.4629      1.00000
     97      -5.3197      1.00000
     98      -5.2783      1.00000
     99      -5.2135      1.00000
    100      -5.1931      1.00000
    101      -4.5085      1.00000
    102      -4.2077      1.00000
    103      -4.0591      1.00000
    104      -3.9887      1.00000
    105      -3.6941      1.00000
    106      -3.4979      1.00000
    107      -1.9463      0.00000
    108      -1.8962      0.00000
    109      -1.3391      0.00000
    110      -1.0848      0.00000
    111      -1.0580      0.00000
    112      -0.8003      0.00000
    113      -0.6775      0.00000
    114      -0.6469      0.00000
    115      -0.6073      0.00000
    116      -0.1073      0.00000
    117       0.2152      0.00000
    118       0.3298      0.00000
    119       0.7024      0.00000
    120       0.8949      0.00000
    121       1.1292      0.00000
    122       1.1995      0.00000
    123       1.3344      0.00000
    124       1.4304      0.00000
    125       1.5572      0.00000
    126       1.5777      0.00000
    127       1.6949      0.00000
    128       1.8109      0.00000
    129       1.8901      0.00000
    130       2.0631      0.00000
    131       2.1097      0.00000
    132       2.3071      0.00000
    133       2.3547      0.00000
    134       2.4114      0.00000
    135       2.5635      0.00000
    136       2.6372      0.00000
    137       2.7294      0.00000
    138       2.7398      0.00000
    139       2.8021      0.00000
    140       2.8887      0.00000
    141       3.0559      0.00000
    142       3.0662      0.00000
    143       3.1780      0.00000
    144       3.2740      0.00000
    145       3.3694      0.00000
    146       3.4248      0.00000
    147       3.4455      0.00000
    148       3.5695      0.00000
    149       3.5882      0.00000
    150       3.6115      0.00000
    151       3.6633      0.00000
    152       3.6838      0.00000
    153       3.7742      0.00000
    154       3.7826      0.00000
    155       3.8115      0.00000
    156       3.8956      0.00000
    157       3.9349      0.00000
    158       3.9989      0.00000
    159       4.2223      0.00000
    160       4.2316      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3170      1.00000
      2     -21.9623      1.00000
      3     -21.8931      1.00000
      4     -21.3804      1.00000
      5     -21.3511      1.00000
      6     -20.8392      1.00000
      7     -20.7739      1.00000
      8     -20.6236      1.00000
      9     -20.0770      1.00000
     10     -20.0713      1.00000
     11     -19.7163      1.00000
     12     -19.6918      1.00000
     13     -18.9960      1.00000
     14     -18.9900      1.00000
     15     -18.6400      1.00000
     16     -18.6241      1.00000
     17     -18.4618      1.00000
     18     -17.6751      1.00000
     19     -17.6246      1.00000
     20     -17.6218      1.00000
     21     -17.5799      1.00000
     22     -17.1260      1.00000
     23     -17.1045      1.00000
     24     -16.9613      1.00000
     25     -16.0010      1.00000
     26     -15.9290      1.00000
     27     -15.5852      1.00000
     28     -15.5848      1.00000
     29     -15.2867      1.00000
     30     -14.8635      1.00000
     31     -14.8363      1.00000
     32     -14.5788      1.00000
     33     -14.5369      1.00000
     34     -14.1681      1.00000
     35     -14.1545      1.00000
     36     -13.1475      1.00000
     37     -13.1000      1.00000
     38     -13.0295      1.00000
     39     -13.0194      1.00000
     40     -12.7088      1.00000
     41     -12.7046      1.00000
     42     -12.3407      1.00000
     43     -12.3095      1.00000
     44     -11.6355      1.00000
     45     -11.6219      1.00000
     46     -11.5715      1.00000
     47     -10.9489      1.00000
     48     -10.9158      1.00000
     49     -10.6322      1.00000
     50     -10.6243      1.00000
     51     -10.5469      1.00000
     52     -10.4989      1.00000
     53     -10.4986      1.00000
     54     -10.4393      1.00000
     55     -10.3603      1.00000
     56     -10.0987      1.00000
     57      -9.9027      1.00000
     58      -9.6084      1.00000
     59      -9.5562      1.00000
     60      -9.4518      1.00000
     61      -9.4115      1.00000
     62      -9.4047      1.00000
     63      -9.3769      1.00000
     64      -9.3767      1.00000
     65      -9.2866      1.00000
     66      -9.1683      1.00000
     67      -9.1428      1.00000
     68      -9.1143      1.00000
     69      -8.8641      1.00000
     70      -8.8565      1.00000
     71      -8.8146      1.00000
     72      -8.5963      1.00000
     73      -8.4794      1.00000
     74      -8.1983      1.00000
     75      -8.1628      1.00000
     76      -8.0083      1.00000
     77      -7.9635      1.00000
     78      -7.8504      1.00000
     79      -7.8403      1.00000
     80      -7.7041      1.00000
     81      -7.6969      1.00000
     82      -7.6213      1.00000
     83      -7.4485      1.00000
     84      -7.2998      1.00000
     85      -7.2531      1.00000
     86      -6.9060      1.00000
     87      -6.8922      1.00000
     88      -6.5880      1.00000
     89      -6.5506      1.00000
     90      -6.4063      1.00000
     91      -6.2526      1.00000
     92      -6.2320      1.00000
     93      -6.2051      1.00000
     94      -6.0226      1.00000
     95      -5.5497      1.00000
     96      -5.4886      1.00000
     97      -5.3501      1.00000
     98      -5.2193      1.00000
     99      -4.9787      1.00000
    100      -4.7323      1.00000
    101      -4.6776      1.00000
    102      -4.3873      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5459      1.00000
    106      -3.5100      1.00000
    107      -2.2563      0.00000
    108      -1.4567      0.00000
    109      -1.3711      0.00000
    110      -1.2418      0.00000
    111      -1.0979      0.00000
    112      -0.9450      0.00000
    113      -0.8637      0.00000
    114      -0.8032      0.00000
    115      -0.1385      0.00000
    116       0.1112      0.00000
    117       0.2408      0.00000
    118       0.3781      0.00000
    119       0.6605      0.00000
    120       0.8366      0.00000
    121       0.9366      0.00000
    122       1.0705      0.00000
    123       1.2428      0.00000
    124       1.4540      0.00000
    125       1.5692      0.00000
    126       1.7664      0.00000
    127       1.7932      0.00000
    128       1.8666      0.00000
    129       1.9882      0.00000
    130       2.0454      0.00000
    131       2.1878      0.00000
    132       2.1925      0.00000
    133       2.4238      0.00000
    134       2.4295      0.00000
    135       2.5069      0.00000
    136       2.6044      0.00000
    137       2.6344      0.00000
    138       2.7061      0.00000
    139       2.7872      0.00000
    140       2.8501      0.00000
    141       2.9659      0.00000
    142       3.0931      0.00000
    143       3.1854      0.00000
    144       3.2117      0.00000
    145       3.2399      0.00000
    146       3.3317      0.00000
    147       3.3380      0.00000
    148       3.4750      0.00000
    149       3.5172      0.00000
    150       3.6998      0.00000
    151       3.7224      0.00000
    152       3.7311      0.00000
    153       3.8670      0.00000
    154       3.9081      0.00000
    155       3.9577      0.00000
    156       3.9818      0.00000
    157       3.9975      0.00000
    158       4.0365      0.00000
    159       4.0582      0.00000
    160       4.0676      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2100      1.00000
      2     -22.1170      1.00000
      3     -21.9563      1.00000
      4     -21.4039      1.00000
      5     -21.0493      1.00000
      6     -21.0134      1.00000
      7     -20.5002      1.00000
      8     -20.4607      1.00000
      9     -20.2945      1.00000
     10     -20.2751      1.00000
     11     -19.9570      1.00000
     12     -19.8913      1.00000
     13     -18.8820      1.00000
     14     -18.8133      1.00000
     15     -18.3525      1.00000
     16     -18.3063      1.00000
     17     -18.1527      1.00000
     18     -18.1354      1.00000
     19     -17.8264      1.00000
     20     -17.7888      1.00000
     21     -17.2516      1.00000
     22     -17.2411      1.00000
     23     -17.1647      1.00000
     24     -17.1324      1.00000
     25     -16.1094      1.00000
     26     -15.8850      1.00000
     27     -15.8697      1.00000
     28     -15.8338      1.00000
     29     -15.2364      1.00000
     30     -14.5547      1.00000
     31     -14.5268      1.00000
     32     -14.2802      1.00000
     33     -13.9636      1.00000
     34     -13.9560      1.00000
     35     -13.8201      1.00000
     36     -13.8042      1.00000
     37     -13.6144      1.00000
     38     -13.5706      1.00000
     39     -13.3693      1.00000
     40     -12.6339      1.00000
     41     -12.1808      1.00000
     42     -12.1327      1.00000
     43     -12.0716      1.00000
     44     -12.0193      1.00000
     45     -11.6696      1.00000
     46     -11.6560      1.00000
     47     -11.1387      1.00000
     48     -11.1181      1.00000
     49     -10.7942      1.00000
     50     -10.7306      1.00000
     51     -10.5283      1.00000
     52     -10.2087      1.00000
     53     -10.2052      1.00000
     54     -10.1638      1.00000
     55     -10.0176      1.00000
     56     -10.0036      1.00000
     57      -9.9902      1.00000
     58      -9.8010      1.00000
     59      -9.7974      1.00000
     60      -9.7621      1.00000
     61      -9.7574      1.00000
     62      -9.4541      1.00000
     63      -9.4167      1.00000
     64      -9.0800      1.00000
     65      -9.0723      1.00000
     66      -9.0404      1.00000
     67      -8.9553      1.00000
     68      -8.8765      1.00000
     69      -8.7120      1.00000
     70      -8.6997      1.00000
     71      -8.5655      1.00000
     72      -8.5426      1.00000
     73      -8.4988      1.00000
     74      -8.4625      1.00000
     75      -8.4530      1.00000
     76      -8.2597      1.00000
     77      -8.1249      1.00000
     78      -8.0427      1.00000
     79      -7.9154      1.00000
     80      -7.8627      1.00000
     81      -7.6143      1.00000
     82      -7.5483      1.00000
     83      -7.4894      1.00000
     84      -7.2682      1.00000
     85      -6.9953      1.00000
     86      -6.9231      1.00000
     87      -6.8819      1.00000
     88      -6.5323      1.00000
     89      -6.4869      1.00000
     90      -6.4607      1.00000
     91      -6.4094      1.00000
     92      -5.9835      1.00000
     93      -5.8969      1.00000
     94      -5.7841      1.00000
     95      -5.7588      1.00000
     96      -5.4318      1.00000
     97      -5.3288      1.00000
     98      -5.2298      1.00000
     99      -5.2174      1.00000
    100      -5.1876      1.00000
    101      -4.6918      1.00000
    102      -4.4214      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5292      1.00000
    106      -3.2738      1.00000
    107      -2.5311      0.00000
    108      -1.4582      0.00000
    109      -1.2666      0.00000
    110      -1.2028      0.00000
    111      -1.1724      0.00000
    112      -0.7196      0.00000
    113      -0.5036      0.00000
    114      -0.4119      0.00000
    115      -0.3395      0.00000
    116      -0.1458      0.00000
    117      -0.0030      0.00000
    118       0.1948      0.00000
    119       0.5621      0.00000
    120       0.6126      0.00000
    121       0.8036      0.00000
    122       0.9157      0.00000
    123       1.1418      0.00000
    124       1.5061      0.00000
    125       1.6447      0.00000
    126       1.8738      0.00000
    127       1.9388      0.00000
    128       2.1159      0.00000
    129       2.1191      0.00000
    130       2.1309      0.00000
    131       2.1725      0.00000
    132       2.2800      0.00000
    133       2.3235      0.00000
    134       2.4575      0.00000
    135       2.5791      0.00000
    136       2.6667      0.00000
    137       2.8619      0.00000
    138       2.8729      0.00000
    139       2.9033      0.00000
    140       3.0270      0.00000
    141       3.0357      0.00000
    142       3.1516      0.00000
    143       3.1569      0.00000
    144       3.2384      0.00000
    145       3.2800      0.00000
    146       3.2907      0.00000
    147       3.3077      0.00000
    148       3.3537      0.00000
    149       3.4353      0.00000
    150       3.4541      0.00000
    151       3.5632      0.00000
    152       3.6257      0.00000
    153       3.6810      0.00000
    154       3.7142      0.00000
    155       3.7870      0.00000
    156       3.9029      0.00000
    157       3.9510      0.00000
    158       4.0162      0.00000
    159       4.1523      0.00000
    160       4.2393      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3168      1.00000
      2     -21.9638      1.00000
      3     -21.8916      1.00000
      4     -21.3841      1.00000
      5     -21.3477      1.00000
      6     -20.8389      1.00000
      7     -20.7725      1.00000
      8     -20.6244      1.00000
      9     -20.0891      1.00000
     10     -20.0603      1.00000
     11     -19.7179      1.00000
     12     -19.6891      1.00000
     13     -19.0094      1.00000
     14     -18.9782      1.00000
     15     -18.6494      1.00000
     16     -18.6166      1.00000
     17     -18.4601      1.00000
     18     -17.6601      1.00000
     19     -17.6462      1.00000
     20     -17.6101      1.00000
     21     -17.5775      1.00000
     22     -17.1369      1.00000
     23     -17.0969      1.00000
     24     -16.9656      1.00000
     25     -16.0080      1.00000
     26     -15.9224      1.00000
     27     -15.5984      1.00000
     28     -15.5749      1.00000
     29     -15.2792      1.00000
     30     -14.8764      1.00000
     31     -14.8293      1.00000
     32     -14.5743      1.00000
     33     -14.5364      1.00000
     34     -14.1635      1.00000
     35     -14.1593      1.00000
     36     -13.1620      1.00000
     37     -13.0954      1.00000
     38     -13.0227      1.00000
     39     -13.0180      1.00000
     40     -12.7175      1.00000
     41     -12.6942      1.00000
     42     -12.3402      1.00000
     43     -12.3130      1.00000
     44     -11.6313      1.00000
     45     -11.6220      1.00000
     46     -11.5694      1.00000
     47     -10.9403      1.00000
     48     -10.9224      1.00000
     49     -10.6687      1.00000
     50     -10.5894      1.00000
     51     -10.5726      1.00000
     52     -10.5004      1.00000
     53     -10.4886      1.00000
     54     -10.4388      1.00000
     55     -10.3556      1.00000
     56     -10.1031      1.00000
     57      -9.8969      1.00000
     58      -9.6081      1.00000
     59      -9.5508      1.00000
     60      -9.4537      1.00000
     61      -9.4178      1.00000
     62      -9.4088      1.00000
     63      -9.3788      1.00000
     64      -9.3718      1.00000
     65      -9.2668      1.00000
     66      -9.1649      1.00000
     67      -9.1410      1.00000
     68      -9.1151      1.00000
     69      -8.8656      1.00000
     70      -8.8597      1.00000
     71      -8.8018      1.00000
     72      -8.5956      1.00000
     73      -8.5261      1.00000
     74      -8.1927      1.00000
     75      -8.1700      1.00000
     76      -8.0752      1.00000
     77      -7.8573      1.00000
     78      -7.8364      1.00000
     79      -7.8234      1.00000
     80      -7.7102      1.00000
     81      -7.6958      1.00000
     82      -7.5967      1.00000
     83      -7.5298      1.00000
     84      -7.3497      1.00000
     85      -7.1676      1.00000
     86      -6.9049      1.00000
     87      -6.8956      1.00000
     88      -6.5920      1.00000
     89      -6.5506      1.00000
     90      -6.4058      1.00000
     91      -6.3017      1.00000
     92      -6.2470      1.00000
     93      -6.2008      1.00000
     94      -6.0033      1.00000
     95      -5.5314      1.00000
     96      -5.4645      1.00000
     97      -5.3136      1.00000
     98      -5.2089      1.00000
     99      -5.0467      1.00000
    100      -4.7233      1.00000
    101      -4.6711      1.00000
    102      -4.4238      1.00000
    103      -4.1947      1.00000
    104      -3.8428      1.00000
    105      -3.6344      1.00000
    106      -3.4161      1.00000
    107      -2.2923      0.00000
    108      -1.5094      0.00000
    109      -1.2699      0.00000
    110      -1.2623      0.00000
    111      -1.0343      0.00000
    112      -0.9776      0.00000
    113      -0.8681      0.00000
    114      -0.7999      0.00000
    115      -0.2609      0.00000
    116       0.2042      0.00000
    117       0.2394      0.00000
    118       0.3610      0.00000
    119       0.6989      0.00000
    120       0.8947      0.00000
    121       0.9248      0.00000
    122       1.0470      0.00000
    123       1.1751      0.00000
    124       1.5167      0.00000
    125       1.5764      0.00000
    126       1.7174      0.00000
    127       1.7797      0.00000
    128       1.8312      0.00000
    129       1.9562      0.00000
    130       2.0036      0.00000
    131       2.1771      0.00000
    132       2.2799      0.00000
    133       2.4276      0.00000
    134       2.4373      0.00000
    135       2.5026      0.00000
    136       2.6021      0.00000
    137       2.6185      0.00000
    138       2.7104      0.00000
    139       2.7656      0.00000
    140       2.8785      0.00000
    141       3.0480      0.00000
    142       3.0918      0.00000
    143       3.1815      0.00000
    144       3.2334      0.00000
    145       3.2428      0.00000
    146       3.3054      0.00000
    147       3.3646      0.00000
    148       3.4618      0.00000
    149       3.5357      0.00000
    150       3.7000      0.00000
    151       3.7194      0.00000
    152       3.7557      0.00000
    153       3.8362      0.00000
    154       3.8907      0.00000
    155       3.9437      0.00000
    156       3.9845      0.00000
    157       4.0037      0.00000
    158       4.0255      0.00000
    159       4.0456      0.00000
    160       4.0827      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3890      1.00000
      2     -21.8302      1.00000
      3     -21.6409      1.00000
      4     -21.6058      1.00000
      5     -21.2782      1.00000
      6     -21.2312      1.00000
      7     -21.0558      1.00000
      8     -20.1709      1.00000
      9     -20.1247      1.00000
     10     -19.6164      1.00000
     11     -19.5903      1.00000
     12     -19.4150      1.00000
     13     -19.0941      1.00000
     14     -19.0555      1.00000
     15     -19.0510      1.00000
     16     -19.0382      1.00000
     17     -18.3663      1.00000
     18     -18.3466      1.00000
     19     -18.0160      1.00000
     20     -17.0718      1.00000
     21     -17.0229      1.00000
     22     -16.9493      1.00000
     23     -16.9355      1.00000
     24     -16.4746      1.00000
     25     -16.4626      1.00000
     26     -15.6088      1.00000
     27     -15.6083      1.00000
     28     -15.2491      1.00000
     29     -15.2370      1.00000
     30     -15.1909      1.00000
     31     -15.1009      1.00000
     32     -15.0680      1.00000
     33     -14.6978      1.00000
     34     -14.6969      1.00000
     35     -13.7244      1.00000
     36     -13.7244      1.00000
     37     -13.2347      1.00000
     38     -12.6239      1.00000
     39     -12.5798      1.00000
     40     -12.4540      1.00000
     41     -12.4487      1.00000
     42     -12.1045      1.00000
     43     -12.0996      1.00000
     44     -11.7211      1.00000
     45     -11.6825      1.00000
     46     -11.2452      1.00000
     47     -11.2245      1.00000
     48     -11.0169      1.00000
     49     -11.0053      1.00000
     50     -10.9271      1.00000
     51     -10.8984      1.00000
     52     -10.6364      1.00000
     53     -10.1719      1.00000
     54     -10.1489      1.00000
     55     -10.0843      1.00000
     56      -9.9914      1.00000
     57      -9.6956      1.00000
     58      -9.6890      1.00000
     59      -9.6696      1.00000
     60      -9.5910      1.00000
     61      -9.5671      1.00000
     62      -9.5530      1.00000
     63      -9.3121      1.00000
     64      -9.2994      1.00000
     65      -9.2825      1.00000
     66      -9.2428      1.00000
     67      -9.1214      1.00000
     68      -9.1119      1.00000
     69      -9.1102      1.00000
     70      -8.9387      1.00000
     71      -8.8750      1.00000
     72      -8.6047      1.00000
     73      -8.5859      1.00000
     74      -8.2705      1.00000
     75      -8.1009      1.00000
     76      -7.8674      1.00000
     77      -7.8428      1.00000
     78      -7.7901      1.00000
     79      -7.7642      1.00000
     80      -7.7552      1.00000
     81      -7.4474      1.00000
     82      -7.3343      1.00000
     83      -7.3228      1.00000
     84      -7.2655      1.00000
     85      -7.1618      1.00000
     86      -7.0148      1.00000
     87      -6.9858      1.00000
     88      -6.7171      1.00000
     89      -6.6899      1.00000
     90      -6.6309      1.00000
     91      -6.5899      1.00000
     92      -6.1174      1.00000
     93      -6.0586      1.00000
     94      -6.0441      1.00000
     95      -6.0283      1.00000
     96      -5.7471      1.00000
     97      -4.9746      1.00000
     98      -4.8393      1.00000
     99      -4.7084      1.00000
    100      -4.6728      1.00000
    101      -4.4836      1.00000
    102      -4.3523      1.00000
    103      -4.1117      1.00000
    104      -4.0554      1.00000
    105      -3.7549      1.00000
    106      -3.4653      1.00000
    107      -1.9506      0.00000
    108      -1.7709      0.00000
    109      -1.4797      0.00000
    110      -1.3555      0.00000
    111      -1.3358      0.00000
    112      -1.2926      0.00000
    113      -0.6783      0.00000
    114      -0.4716      0.00000
    115      -0.2356      0.00000
    116       0.0525      0.00000
    117       0.5968      0.00000
    118       0.6922      0.00000
    119       0.7703      0.00000
    120       1.0240      0.00000
    121       1.0966      0.00000
    122       1.1799      0.00000
    123       1.2535      0.00000
    124       1.3417      0.00000
    125       1.4450      0.00000
    126       1.6153      0.00000
    127       1.7524      0.00000
    128       1.8464      0.00000
    129       1.8570      0.00000
    130       1.8925      0.00000
    131       2.0426      0.00000
    132       2.2257      0.00000
    133       2.2491      0.00000
    134       2.3036      0.00000
    135       2.4855      0.00000
    136       2.6123      0.00000
    137       2.6400      0.00000
    138       2.7735      0.00000
    139       2.7940      0.00000
    140       2.8356      0.00000
    141       2.8434      0.00000
    142       2.8517      0.00000
    143       2.9282      0.00000
    144       3.1082      0.00000
    145       3.3209      0.00000
    146       3.3456      0.00000
    147       3.3851      0.00000
    148       3.4102      0.00000
    149       3.4330      0.00000
    150       3.5982      0.00000
    151       3.6394      0.00000
    152       3.6853      0.00000
    153       3.7403      0.00000
    154       3.9039      0.00000
    155       3.9351      0.00000
    156       3.9573      0.00000
    157       4.1084      0.00000
    158       4.2142      0.00000
    159       4.2679      0.00000
    160       4.2887      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2091      1.00000
      2     -22.1183      1.00000
      3     -21.9560      1.00000
      4     -21.4040      1.00000
      5     -21.0455      1.00000
      6     -21.0171      1.00000
      7     -20.4954      1.00000
      8     -20.4655      1.00000
      9     -20.2855      1.00000
     10     -20.2835      1.00000
     11     -19.9561      1.00000
     12     -19.8930      1.00000
     13     -18.8829      1.00000
     14     -18.8153      1.00000
     15     -18.3370      1.00000
     16     -18.3180      1.00000
     17     -18.1485      1.00000
     18     -18.1410      1.00000
     19     -17.8151      1.00000
     20     -17.7971      1.00000
     21     -17.2578      1.00000
     22     -17.2382      1.00000
     23     -17.1594      1.00000
     24     -17.1351      1.00000
     25     -16.1159      1.00000
     26     -15.8798      1.00000
     27     -15.8687      1.00000
     28     -15.8403      1.00000
     29     -15.2302      1.00000
     30     -14.5505      1.00000
     31     -14.5320      1.00000
     32     -14.2750      1.00000
     33     -13.9744      1.00000
     34     -13.9507      1.00000
     35     -13.8245      1.00000
     36     -13.8022      1.00000
     37     -13.6034      1.00000
     38     -13.5782      1.00000
     39     -13.3694      1.00000
     40     -12.6381      1.00000
     41     -12.1684      1.00000
     42     -12.1420      1.00000
     43     -12.0673      1.00000
     44     -12.0205      1.00000
     45     -11.6644      1.00000
     46     -11.6596      1.00000
     47     -11.1364      1.00000
     48     -11.1254      1.00000
     49     -10.7899      1.00000
     50     -10.7338      1.00000
     51     -10.5351      1.00000
     52     -10.2077      1.00000
     53     -10.2015      1.00000
     54     -10.1695      1.00000
     55     -10.0221      1.00000
     56      -9.9934      1.00000
     57      -9.9896      1.00000
     58      -9.8045      1.00000
     59      -9.7953      1.00000
     60      -9.7644      1.00000
     61      -9.7566      1.00000
     62      -9.4541      1.00000
     63      -9.4167      1.00000
     64      -9.0842      1.00000
     65      -9.0454      1.00000
     66      -9.0248      1.00000
     67      -8.9694      1.00000
     68      -8.8970      1.00000
     69      -8.7076      1.00000
     70      -8.6983      1.00000
     71      -8.5598      1.00000
     72      -8.5490      1.00000
     73      -8.4772      1.00000
     74      -8.4591      1.00000
     75      -8.4562      1.00000
     76      -8.3077      1.00000
     77      -8.0943      1.00000
     78      -8.0884      1.00000
     79      -7.9262      1.00000
     80      -7.8312      1.00000
     81      -7.6003      1.00000
     82      -7.5368      1.00000
     83      -7.4427      1.00000
     84      -7.3149      1.00000
     85      -6.9936      1.00000
     86      -6.9189      1.00000
     87      -6.8819      1.00000
     88      -6.5276      1.00000
     89      -6.5144      1.00000
     90      -6.4806      1.00000
     91      -6.4200      1.00000
     92      -5.9265      1.00000
     93      -5.9046      1.00000
     94      -5.7882      1.00000
     95      -5.7743      1.00000
     96      -5.3688      1.00000
     97      -5.3626      1.00000
     98      -5.2195      1.00000
     99      -5.2149      1.00000
    100      -5.1983      1.00000
    101      -4.7202      1.00000
    102      -4.4424      1.00000
    103      -4.1909      1.00000
    104      -3.8205      1.00000
    105      -3.5655      1.00000
    106      -3.2213      1.00000
    107      -2.5622      0.00000
    108      -1.4632      0.00000
    109      -1.2670      0.00000
    110      -1.1851      0.00000
    111      -1.1837      0.00000
    112      -0.6447      0.00000
    113      -0.5515      0.00000
    114      -0.4148      0.00000
    115      -0.3476      0.00000
    116      -0.0774      0.00000
    117      -0.0634      0.00000
    118       0.1268      0.00000
    119       0.5929      0.00000
    120       0.6274      0.00000
    121       0.8637      0.00000
    122       0.9951      0.00000
    123       1.0105      0.00000
    124       1.5010      0.00000
    125       1.6934      0.00000
    126       1.7901      0.00000
    127       1.8768      0.00000
    128       2.1154      0.00000
    129       2.1287      0.00000
    130       2.1813      0.00000
    131       2.2103      0.00000
    132       2.2512      0.00000
    133       2.3392      0.00000
    134       2.4940      0.00000
    135       2.5030      0.00000
    136       2.6779      0.00000
    137       2.8524      0.00000
    138       2.8611      0.00000
    139       2.9639      0.00000
    140       3.0156      0.00000
    141       3.0514      0.00000
    142       3.1452      0.00000
    143       3.1675      0.00000
    144       3.2523      0.00000
    145       3.2607      0.00000
    146       3.2841      0.00000
    147       3.3104      0.00000
    148       3.3625      0.00000
    149       3.4290      0.00000
    150       3.5608      0.00000
    151       3.5742      0.00000
    152       3.6573      0.00000
    153       3.6637      0.00000
    154       3.6805      0.00000
    155       3.7135      0.00000
    156       3.9058      0.00000
    157       3.9695      0.00000
    158       4.0505      0.00000
    159       4.0964      0.00000
    160       4.2026      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2826      1.00000
      2     -22.0780      1.00000
      3     -21.7197      1.00000
      4     -21.6804      1.00000
      5     -20.9822      1.00000
      6     -20.9344      1.00000
      7     -20.6108      1.00000
      8     -20.5785      1.00000
      9     -20.5650      1.00000
     10     -20.0316      1.00000
     11     -19.5129      1.00000
     12     -19.4828      1.00000
     13     -19.3108      1.00000
     14     -19.2979      1.00000
     15     -18.4490      1.00000
     16     -18.4059      1.00000
     17     -17.9271      1.00000
     18     -17.9067      1.00000
     19     -17.7653      1.00000
     20     -17.7203      1.00000
     21     -17.4412      1.00000
     22     -17.4227      1.00000
     23     -17.3374      1.00000
     24     -16.4707      1.00000
     25     -16.4604      1.00000
     26     -15.9698      1.00000
     27     -15.4104      1.00000
     28     -15.4094      1.00000
     29     -15.0954      1.00000
     30     -15.0923      1.00000
     31     -14.8524      1.00000
     32     -14.8401      1.00000
     33     -14.2973      1.00000
     34     -14.2536      1.00000
     35     -13.4438      1.00000
     36     -13.4000      1.00000
     37     -13.1746      1.00000
     38     -13.1732      1.00000
     39     -12.9848      1.00000
     40     -12.9759      1.00000
     41     -12.6101      1.00000
     42     -12.6081      1.00000
     43     -12.1962      1.00000
     44     -11.5790      1.00000
     45     -11.5379      1.00000
     46     -11.3129      1.00000
     47     -11.2825      1.00000
     48     -11.1415      1.00000
     49     -10.6922      1.00000
     50     -10.6629      1.00000
     51     -10.5465      1.00000
     52     -10.3216      1.00000
     53     -10.3138      1.00000
     54     -10.1748      1.00000
     55     -10.1211      1.00000
     56     -10.1077      1.00000
     57      -9.8107      1.00000
     58      -9.7518      1.00000
     59      -9.7514      1.00000
     60      -9.7015      1.00000
     61      -9.6977      1.00000
     62      -9.6459      1.00000
     63      -9.3520      1.00000
     64      -9.3506      1.00000
     65      -9.3177      1.00000
     66      -9.0272      1.00000
     67      -8.9609      1.00000
     68      -8.9570      1.00000
     69      -8.7745      1.00000
     70      -8.5915      1.00000
     71      -8.5876      1.00000
     72      -8.4229      1.00000
     73      -8.3487      1.00000
     74      -8.3220      1.00000
     75      -8.3015      1.00000
     76      -8.2653      1.00000
     77      -8.2538      1.00000
     78      -8.2391      1.00000
     79      -7.9207      1.00000
     80      -7.7333      1.00000
     81      -7.3792      1.00000
     82      -7.3497      1.00000
     83      -7.3241      1.00000
     84      -7.2170      1.00000
     85      -7.1597      1.00000
     86      -7.0645      1.00000
     87      -6.9602      1.00000
     88      -6.9045      1.00000
     89      -6.6134      1.00000
     90      -6.5563      1.00000
     91      -6.2710      1.00000
     92      -5.9959      1.00000
     93      -5.9587      1.00000
     94      -5.6747      1.00000
     95      -5.6482      1.00000
     96      -5.3869      1.00000
     97      -5.3143      1.00000
     98      -5.2933      1.00000
     99      -5.2114      1.00000
    100      -5.1998      1.00000
    101      -4.5116      1.00000
    102      -4.3388      1.00000
    103      -3.9964      1.00000
    104      -3.8858      1.00000
    105      -3.7928      1.00000
    106      -3.4432      1.00000
    107      -2.0344      0.00000
    108      -1.8631      0.00000
    109      -1.2176      0.00000
    110      -1.1839      0.00000
    111      -1.0358      0.00000
    112      -0.7722      0.00000
    113      -0.6773      0.00000
    114      -0.6600      0.00000
    115      -0.6098      0.00000
    116      -0.1008      0.00000
    117       0.2223      0.00000
    118       0.2405      0.00000
    119       0.7791      0.00000
    120       0.9919      0.00000
    121       1.0756      0.00000
    122       1.2435      0.00000
    123       1.2530      0.00000
    124       1.3489      0.00000
    125       1.5827      0.00000
    126       1.5852      0.00000
    127       1.7201      0.00000
    128       1.7994      0.00000
    129       1.9591      0.00000
    130       1.9829      0.00000
    131       2.0600      0.00000
    132       2.2691      0.00000
    133       2.3421      0.00000
    134       2.4294      0.00000
    135       2.5571      0.00000
    136       2.6358      0.00000
    137       2.7375      0.00000
    138       2.8046      0.00000
    139       2.8541      0.00000
    140       2.8739      0.00000
    141       3.0533      0.00000
    142       3.1111      0.00000
    143       3.1694      0.00000
    144       3.2305      0.00000
    145       3.3783      0.00000
    146       3.4202      0.00000
    147       3.5159      0.00000
    148       3.5636      0.00000
    149       3.5931      0.00000
    150       3.6148      0.00000
    151       3.6597      0.00000
    152       3.7432      0.00000
    153       3.7558      0.00000
    154       3.7694      0.00000
    155       3.7890      0.00000
    156       3.8782      0.00000
    157       4.0239      0.00000
    158       4.0993      0.00000
    159       4.1810      0.00000
    160       4.2248      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4257      1.00000
      2     -21.6026      1.00000
      3     -21.4808      1.00000
      4     -21.4718      1.00000
      5     -21.4401      1.00000
      6     -21.4394      1.00000
      7     -21.4292      1.00000
      8     -19.7070      1.00000
      9     -19.6519      1.00000
     10     -19.6288      1.00000
     11     -19.6176      1.00000
     12     -19.6124      1.00000
     13     -19.6114      1.00000
     14     -18.7893      1.00000
     15     -18.7539      1.00000
     16     -18.7343      1.00000
     17     -18.7248      1.00000
     18     -18.7174      1.00000
     19     -18.7122      1.00000
     20     -16.6347      1.00000
     21     -16.6084      1.00000
     22     -16.5842      1.00000
     23     -16.5810      1.00000
     24     -16.5537      1.00000
     25     -16.5522      1.00000
     26     -15.6141      1.00000
     27     -15.6013      1.00000
     28     -15.5980      1.00000
     29     -15.5640      1.00000
     30     -15.5622      1.00000
     31     -15.5613      1.00000
     32     -14.2592      1.00000
     33     -14.2500      1.00000
     34     -14.2401      1.00000
     35     -14.2351      1.00000
     36     -14.2218      1.00000
     37     -14.2188      1.00000
     38     -11.9054      1.00000
     39     -11.8785      1.00000
     40     -11.8671      1.00000
     41     -11.8654      1.00000
     42     -11.8444      1.00000
     43     -11.8443      1.00000
     44     -11.7704      1.00000
     45     -11.7680      1.00000
     46     -11.7349      1.00000
     47     -11.7283      1.00000
     48     -11.7245      1.00000
     49     -11.7215      1.00000
     50     -10.6753      1.00000
     51     -10.3880      1.00000
     52     -10.3830      1.00000
     53     -10.3760      1.00000
     54     -10.3682      1.00000
     55     -10.3549      1.00000
     56     -10.3528      1.00000
     57      -9.9034      1.00000
     58      -9.4496      1.00000
     59      -9.4046      1.00000
     60      -9.3616      1.00000
     61      -9.3609      1.00000
     62      -9.3531      1.00000
     63      -9.1417      1.00000
     64      -9.1217      1.00000
     65      -9.1204      1.00000
     66      -9.0844      1.00000
     67      -9.0710      1.00000
     68      -9.0705      1.00000
     69      -9.0703      1.00000
     70      -9.0640      1.00000
     71      -9.0635      1.00000
     72      -9.0383      1.00000
     73      -9.0284      1.00000
     74      -9.0252      1.00000
     75      -8.1295      1.00000
     76      -7.7462      1.00000
     77      -7.4685      1.00000
     78      -7.4659      1.00000
     79      -7.4536      1.00000
     80      -7.4338      1.00000
     81      -7.4239      1.00000
     82      -7.4062      1.00000
     83      -7.3121      1.00000
     84      -7.2701      1.00000
     85      -7.2565      1.00000
     86      -7.2480      1.00000
     87      -7.1496      1.00000
     88      -7.0491      1.00000
     89      -6.4455      1.00000
     90      -6.4154      1.00000
     91      -6.3998      1.00000
     92      -6.3627      1.00000
     93      -6.3521      1.00000
     94      -6.3400      1.00000
     95      -5.9583      1.00000
     96      -5.9580      1.00000
     97      -4.8065      1.00000
     98      -4.5442      1.00000
     99      -4.4809      1.00000
    100      -4.4742      1.00000
    101      -4.3816      1.00000
    102      -4.3812      1.00000
    103      -4.2676      1.00000
    104      -4.1871      1.00000
    105      -3.7391      1.00000
    106      -3.4775      1.00000
    107      -1.8619      0.00000
    108      -1.6704      0.00000
    109      -1.6241      0.00000
    110      -1.5912      0.00000
    111      -1.5757      0.00000
    112      -1.5748      0.00000
    113      -0.4283      0.00000
    114       0.1461      0.00000
    115       0.1918      0.00000
    116       0.2554      0.00000
    117       0.2675      0.00000
    118       0.2712      0.00000
    119       0.4779      0.00000
    120       0.5576      0.00000
    121       1.2594      0.00000
    122       1.2928      0.00000
    123       1.5513      0.00000
    124       1.7745      0.00000
    125       1.7801      0.00000
    126       1.7832      0.00000
    127       1.7840      0.00000
    128       1.8325      0.00000
    129       1.9581      0.00000
    130       1.9718      0.00000
    131       1.9740      0.00000
    132       1.9886      0.00000
    133       1.9958      0.00000
    134       2.0881      0.00000
    135       2.2663      0.00000
    136       2.3444      0.00000
    137       2.6341      0.00000
    138       2.6344      0.00000
    139       2.6653      0.00000
    140       2.7240      0.00000
    141       2.9463      0.00000
    142       3.0286      0.00000
    143       3.0351      0.00000
    144       3.0667      0.00000
    145       3.0680      0.00000
    146       3.0719      0.00000
    147       3.0951      0.00000
    148       3.2875      0.00000
    149       3.4530      0.00000
    150       3.5204      0.00000
    151       3.8245      0.00000
    152       3.9609      0.00000
    153       3.9713      0.00000
    154       3.9732      0.00000
    155       3.9794      0.00000
    156       4.0035      0.00000
    157       4.1907      0.00000
    158       4.2673      0.00000
    159       4.2760      0.00000
    160       4.2890      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3890      1.00000
      2     -21.8299      1.00000
      3     -21.6376      1.00000
      4     -21.6098      1.00000
      5     -21.2741      1.00000
      6     -21.2347      1.00000
      7     -21.0563      1.00000
      8     -20.1671      1.00000
      9     -20.1289      1.00000
     10     -19.6080      1.00000
     11     -19.5969      1.00000
     12     -19.4167      1.00000
     13     -19.0892      1.00000
     14     -19.0593      1.00000
     15     -19.0484      1.00000
     16     -19.0409      1.00000
     17     -18.3601      1.00000
     18     -18.3517      1.00000
     19     -18.0186      1.00000
     20     -17.0688      1.00000
     21     -17.0300      1.00000
     22     -16.9437      1.00000
     23     -16.9393      1.00000
     24     -16.4675      1.00000
     25     -16.4625      1.00000
     26     -15.6135      1.00000
     27     -15.6066      1.00000
     28     -15.2522      1.00000
     29     -15.2431      1.00000
     30     -15.1842      1.00000
     31     -15.0974      1.00000
     32     -15.0705      1.00000
     33     -14.6979      1.00000
     34     -14.6960      1.00000
     35     -13.7260      1.00000
     36     -13.7234      1.00000
     37     -13.2354      1.00000
     38     -12.6139      1.00000
     39     -12.5837      1.00000
     40     -12.4536      1.00000
     41     -12.4499      1.00000
     42     -12.1090      1.00000
     43     -12.1043      1.00000
     44     -11.7165      1.00000
     45     -11.6856      1.00000
     46     -11.2348      1.00000
     47     -11.2256      1.00000
     48     -11.0172      1.00000
     49     -11.0093      1.00000
     50     -10.9260      1.00000
     51     -10.9045      1.00000
     52     -10.6304      1.00000
     53     -10.1546      1.00000
     54     -10.1501      1.00000
     55     -10.0916      1.00000
     56      -9.9979      1.00000
     57      -9.7023      1.00000
     58      -9.6946      1.00000
     59      -9.6552      1.00000
     60      -9.5912      1.00000
     61      -9.5763      1.00000
     62      -9.5581      1.00000
     63      -9.3068      1.00000
     64      -9.3028      1.00000
     65      -9.2733      1.00000
     66      -9.2359      1.00000
     67      -9.1359      1.00000
     68      -9.1150      1.00000
     69      -9.1106      1.00000
     70      -8.9389      1.00000
     71      -8.8715      1.00000
     72      -8.6041      1.00000
     73      -8.5905      1.00000
     74      -8.2360      1.00000
     75      -8.1004      1.00000
     76      -7.9128      1.00000
     77      -7.8632      1.00000
     78      -7.7714      1.00000
     79      -7.7565      1.00000
     80      -7.6915      1.00000
     81      -7.5605      1.00000
     82      -7.3386      1.00000
     83      -7.3225      1.00000
     84      -7.2036      1.00000
     85      -7.1229      1.00000
     86      -7.0315      1.00000
     87      -7.0119      1.00000
     88      -6.7038      1.00000
     89      -6.6773      1.00000
     90      -6.6405      1.00000
     91      -6.5971      1.00000
     92      -6.1158      1.00000
     93      -6.0618      1.00000
     94      -6.0308      1.00000
     95      -6.0106      1.00000
     96      -5.7829      1.00000
     97      -4.9744      1.00000
     98      -4.8316      1.00000
     99      -4.7466      1.00000
    100      -4.6790      1.00000
    101      -4.4688      1.00000
    102      -4.2035      1.00000
    103      -4.1714      1.00000
    104      -4.1276      1.00000
    105      -3.7294      1.00000
    106      -3.4877      1.00000
    107      -1.8704      0.00000
    108      -1.8088      0.00000
    109      -1.5244      0.00000
    110      -1.3774      0.00000
    111      -1.3213      0.00000
    112      -1.2880      0.00000
    113      -0.7199      0.00000
    114      -0.3758      0.00000
    115      -0.2498      0.00000
    116       0.0379      0.00000
    117       0.5634      0.00000
    118       0.7000      0.00000
    119       0.7468      0.00000
    120       1.0494      0.00000
    121       1.0998      0.00000
    122       1.1542      0.00000
    123       1.2291      0.00000
    124       1.3864      0.00000
    125       1.5319      0.00000
    126       1.5994      0.00000
    127       1.7201      0.00000
    128       1.8003      0.00000
    129       1.8570      0.00000
    130       1.8830      0.00000
    131       2.1008      0.00000
    132       2.2010      0.00000
    133       2.2481      0.00000
    134       2.3208      0.00000
    135       2.5249      0.00000
    136       2.6070      0.00000
    137       2.6170      0.00000
    138       2.7860      0.00000
    139       2.7964      0.00000
    140       2.8249      0.00000
    141       2.8328      0.00000
    142       2.9037      0.00000
    143       2.9351      0.00000
    144       3.1020      0.00000
    145       3.1680      0.00000
    146       3.3236      0.00000
    147       3.3573      0.00000
    148       3.4068      0.00000
    149       3.4748      0.00000
    150       3.6105      0.00000
    151       3.6460      0.00000
    152       3.6704      0.00000
    153       3.7178      0.00000
    154       3.9234      0.00000
    155       3.9661      0.00000
    156       4.0255      0.00000
    157       4.0711      0.00000
    158       4.2496      0.00000
    159       4.2597      0.00000
    160       4.2832      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2830      1.00000
      2     -22.0774      1.00000
      3     -21.7161      1.00000
      4     -21.6842      1.00000
      5     -20.9789      1.00000
      6     -20.9383      1.00000
      7     -20.6113      1.00000
      8     -20.5746      1.00000
      9     -20.5684      1.00000
     10     -20.0321      1.00000
     11     -19.5028      1.00000
     12     -19.4910      1.00000
     13     -19.3062      1.00000
     14     -19.3010      1.00000
     15     -18.4472      1.00000
     16     -18.4105      1.00000
     17     -17.9218      1.00000
     18     -17.9123      1.00000
     19     -17.7612      1.00000
     20     -17.7254      1.00000
     21     -17.4355      1.00000
     22     -17.4279      1.00000
     23     -17.3406      1.00000
     24     -16.4623      1.00000
     25     -16.4611      1.00000
     26     -15.9663      1.00000
     27     -15.4137      1.00000
     28     -15.4083      1.00000
     29     -15.0959      1.00000
     30     -15.0926      1.00000
     31     -14.8547      1.00000
     32     -14.8471      1.00000
     33     -14.2899      1.00000
     34     -14.2570      1.00000
     35     -13.4363      1.00000
     36     -13.4038      1.00000
     37     -13.1770      1.00000
     38     -13.1736      1.00000
     39     -12.9810      1.00000
     40     -12.9762      1.00000
     41     -12.6127      1.00000
     42     -12.6094      1.00000
     43     -12.1974      1.00000
     44     -11.5758      1.00000
     45     -11.5420      1.00000
     46     -11.3100      1.00000
     47     -11.2871      1.00000
     48     -11.1418      1.00000
     49     -10.6760      1.00000
     50     -10.6600      1.00000
     51     -10.5525      1.00000
     52     -10.3232      1.00000
     53     -10.3171      1.00000
     54     -10.1685      1.00000
     55     -10.1150      1.00000
     56     -10.1122      1.00000
     57      -9.7974      1.00000
     58      -9.7647      1.00000
     59      -9.7512      1.00000
     60      -9.6993      1.00000
     61      -9.6968      1.00000
     62      -9.6612      1.00000
     63      -9.3543      1.00000
     64      -9.3507      1.00000
     65      -9.3147      1.00000
     66      -9.0405      1.00000
     67      -8.9619      1.00000
     68      -8.9490      1.00000
     69      -8.7987      1.00000
     70      -8.5942      1.00000
     71      -8.5570      1.00000
     72      -8.3977      1.00000
     73      -8.3642      1.00000
     74      -8.3242      1.00000
     75      -8.3067      1.00000
     76      -8.2586      1.00000
     77      -8.2569      1.00000
     78      -8.2357      1.00000
     79      -7.9041      1.00000
     80      -7.6508      1.00000
     81      -7.5493      1.00000
     82      -7.3862      1.00000
     83      -7.3491      1.00000
     84      -7.2308      1.00000
     85      -7.0956      1.00000
     86      -7.0382      1.00000
     87      -6.9332      1.00000
     88      -6.8476      1.00000
     89      -6.6122      1.00000
     90      -6.5587      1.00000
     91      -6.2694      1.00000
     92      -6.0433      1.00000
     93      -5.9510      1.00000
     94      -5.6623      1.00000
     95      -5.6219      1.00000
     96      -5.4629      1.00000
     97      -5.3197      1.00000
     98      -5.2783      1.00000
     99      -5.2135      1.00000
    100      -5.1931      1.00000
    101      -4.5085      1.00000
    102      -4.2077      1.00000
    103      -4.0591      1.00000
    104      -3.9887      1.00000
    105      -3.6941      1.00000
    106      -3.4979      1.00000
    107      -1.9463      0.00000
    108      -1.8962      0.00000
    109      -1.3391      0.00000
    110      -1.0848      0.00000
    111      -1.0580      0.00000
    112      -0.8003      0.00000
    113      -0.6775      0.00000
    114      -0.6469      0.00000
    115      -0.6073      0.00000
    116      -0.1073      0.00000
    117       0.2152      0.00000
    118       0.3298      0.00000
    119       0.7024      0.00000
    120       0.8949      0.00000
    121       1.1292      0.00000
    122       1.1995      0.00000
    123       1.3344      0.00000
    124       1.4304      0.00000
    125       1.5572      0.00000
    126       1.5777      0.00000
    127       1.6949      0.00000
    128       1.8109      0.00000
    129       1.8901      0.00000
    130       2.0631      0.00000
    131       2.1097      0.00000
    132       2.3071      0.00000
    133       2.3547      0.00000
    134       2.4114      0.00000
    135       2.5635      0.00000
    136       2.6372      0.00000
    137       2.7294      0.00000
    138       2.7398      0.00000
    139       2.8021      0.00000
    140       2.8887      0.00000
    141       3.0559      0.00000
    142       3.0662      0.00000
    143       3.1780      0.00000
    144       3.2740      0.00000
    145       3.3694      0.00000
    146       3.4248      0.00000
    147       3.4455      0.00000
    148       3.5695      0.00000
    149       3.5882      0.00000
    150       3.6115      0.00000
    151       3.6633      0.00000
    152       3.6838      0.00000
    153       3.7742      0.00000
    154       3.7826      0.00000
    155       3.8115      0.00000
    156       3.8956      0.00000
    157       3.9349      0.00000
    158       3.9989      0.00000
    159       4.2224      0.00000
    160       4.2316      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3170      1.00000
      2     -21.9623      1.00000
      3     -21.8931      1.00000
      4     -21.3804      1.00000
      5     -21.3511      1.00000
      6     -20.8392      1.00000
      7     -20.7739      1.00000
      8     -20.6236      1.00000
      9     -20.0770      1.00000
     10     -20.0713      1.00000
     11     -19.7163      1.00000
     12     -19.6918      1.00000
     13     -18.9960      1.00000
     14     -18.9900      1.00000
     15     -18.6400      1.00000
     16     -18.6241      1.00000
     17     -18.4618      1.00000
     18     -17.6751      1.00000
     19     -17.6246      1.00000
     20     -17.6218      1.00000
     21     -17.5799      1.00000
     22     -17.1260      1.00000
     23     -17.1045      1.00000
     24     -16.9613      1.00000
     25     -16.0010      1.00000
     26     -15.9290      1.00000
     27     -15.5852      1.00000
     28     -15.5848      1.00000
     29     -15.2867      1.00000
     30     -14.8635      1.00000
     31     -14.8363      1.00000
     32     -14.5788      1.00000
     33     -14.5369      1.00000
     34     -14.1681      1.00000
     35     -14.1545      1.00000
     36     -13.1475      1.00000
     37     -13.1000      1.00000
     38     -13.0295      1.00000
     39     -13.0194      1.00000
     40     -12.7088      1.00000
     41     -12.7046      1.00000
     42     -12.3407      1.00000
     43     -12.3095      1.00000
     44     -11.6355      1.00000
     45     -11.6219      1.00000
     46     -11.5715      1.00000
     47     -10.9489      1.00000
     48     -10.9158      1.00000
     49     -10.6322      1.00000
     50     -10.6243      1.00000
     51     -10.5469      1.00000
     52     -10.4989      1.00000
     53     -10.4986      1.00000
     54     -10.4393      1.00000
     55     -10.3603      1.00000
     56     -10.0987      1.00000
     57      -9.9027      1.00000
     58      -9.6084      1.00000
     59      -9.5562      1.00000
     60      -9.4518      1.00000
     61      -9.4115      1.00000
     62      -9.4047      1.00000
     63      -9.3769      1.00000
     64      -9.3767      1.00000
     65      -9.2866      1.00000
     66      -9.1683      1.00000
     67      -9.1428      1.00000
     68      -9.1143      1.00000
     69      -8.8641      1.00000
     70      -8.8565      1.00000
     71      -8.8146      1.00000
     72      -8.5963      1.00000
     73      -8.4794      1.00000
     74      -8.1983      1.00000
     75      -8.1628      1.00000
     76      -8.0083      1.00000
     77      -7.9635      1.00000
     78      -7.8504      1.00000
     79      -7.8403      1.00000
     80      -7.7041      1.00000
     81      -7.6969      1.00000
     82      -7.6213      1.00000
     83      -7.4485      1.00000
     84      -7.2998      1.00000
     85      -7.2531      1.00000
     86      -6.9060      1.00000
     87      -6.8922      1.00000
     88      -6.5880      1.00000
     89      -6.5506      1.00000
     90      -6.4063      1.00000
     91      -6.2526      1.00000
     92      -6.2320      1.00000
     93      -6.2051      1.00000
     94      -6.0226      1.00000
     95      -5.5497      1.00000
     96      -5.4886      1.00000
     97      -5.3501      1.00000
     98      -5.2193      1.00000
     99      -4.9787      1.00000
    100      -4.7323      1.00000
    101      -4.6776      1.00000
    102      -4.3873      1.00000
    103      -4.2030      1.00000
    104      -3.8709      1.00000
    105      -3.5459      1.00000
    106      -3.5100      1.00000
    107      -2.2563      0.00000
    108      -1.4567      0.00000
    109      -1.3711      0.00000
    110      -1.2418      0.00000
    111      -1.0979      0.00000
    112      -0.9450      0.00000
    113      -0.8637      0.00000
    114      -0.8032      0.00000
    115      -0.1385      0.00000
    116       0.1112      0.00000
    117       0.2408      0.00000
    118       0.3781      0.00000
    119       0.6605      0.00000
    120       0.8366      0.00000
    121       0.9366      0.00000
    122       1.0705      0.00000
    123       1.2428      0.00000
    124       1.4540      0.00000
    125       1.5692      0.00000
    126       1.7664      0.00000
    127       1.7932      0.00000
    128       1.8666      0.00000
    129       1.9882      0.00000
    130       2.0454      0.00000
    131       2.1878      0.00000
    132       2.1925      0.00000
    133       2.4238      0.00000
    134       2.4295      0.00000
    135       2.5069      0.00000
    136       2.6044      0.00000
    137       2.6344      0.00000
    138       2.7061      0.00000
    139       2.7872      0.00000
    140       2.8501      0.00000
    141       2.9659      0.00000
    142       3.0931      0.00000
    143       3.1854      0.00000
    144       3.2117      0.00000
    145       3.2399      0.00000
    146       3.3317      0.00000
    147       3.3380      0.00000
    148       3.4750      0.00000
    149       3.5172      0.00000
    150       3.6998      0.00000
    151       3.7224      0.00000
    152       3.7311      0.00000
    153       3.8670      0.00000
    154       3.9081      0.00000
    155       3.9577      0.00000
    156       3.9818      0.00000
    157       3.9975      0.00000
    158       4.0365      0.00000
    159       4.0582      0.00000
    160       4.0676      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2100      1.00000
      2     -22.1170      1.00000
      3     -21.9563      1.00000
      4     -21.4039      1.00000
      5     -21.0493      1.00000
      6     -21.0134      1.00000
      7     -20.5002      1.00000
      8     -20.4607      1.00000
      9     -20.2945      1.00000
     10     -20.2751      1.00000
     11     -19.9570      1.00000
     12     -19.8913      1.00000
     13     -18.8820      1.00000
     14     -18.8133      1.00000
     15     -18.3525      1.00000
     16     -18.3063      1.00000
     17     -18.1527      1.00000
     18     -18.1354      1.00000
     19     -17.8264      1.00000
     20     -17.7888      1.00000
     21     -17.2516      1.00000
     22     -17.2411      1.00000
     23     -17.1647      1.00000
     24     -17.1324      1.00000
     25     -16.1094      1.00000
     26     -15.8850      1.00000
     27     -15.8697      1.00000
     28     -15.8338      1.00000
     29     -15.2364      1.00000
     30     -14.5547      1.00000
     31     -14.5268      1.00000
     32     -14.2802      1.00000
     33     -13.9636      1.00000
     34     -13.9560      1.00000
     35     -13.8201      1.00000
     36     -13.8042      1.00000
     37     -13.6144      1.00000
     38     -13.5706      1.00000
     39     -13.3693      1.00000
     40     -12.6339      1.00000
     41     -12.1808      1.00000
     42     -12.1327      1.00000
     43     -12.0716      1.00000
     44     -12.0193      1.00000
     45     -11.6696      1.00000
     46     -11.6560      1.00000
     47     -11.1387      1.00000
     48     -11.1181      1.00000
     49     -10.7942      1.00000
     50     -10.7306      1.00000
     51     -10.5283      1.00000
     52     -10.2087      1.00000
     53     -10.2052      1.00000
     54     -10.1638      1.00000
     55     -10.0176      1.00000
     56     -10.0036      1.00000
     57      -9.9902      1.00000
     58      -9.8010      1.00000
     59      -9.7974      1.00000
     60      -9.7621      1.00000
     61      -9.7574      1.00000
     62      -9.4541      1.00000
     63      -9.4167      1.00000
     64      -9.0800      1.00000
     65      -9.0723      1.00000
     66      -9.0404      1.00000
     67      -8.9553      1.00000
     68      -8.8765      1.00000
     69      -8.7120      1.00000
     70      -8.6997      1.00000
     71      -8.5655      1.00000
     72      -8.5426      1.00000
     73      -8.4988      1.00000
     74      -8.4625      1.00000
     75      -8.4530      1.00000
     76      -8.2597      1.00000
     77      -8.1249      1.00000
     78      -8.0427      1.00000
     79      -7.9154      1.00000
     80      -7.8627      1.00000
     81      -7.6143      1.00000
     82      -7.5483      1.00000
     83      -7.4894      1.00000
     84      -7.2682      1.00000
     85      -6.9953      1.00000
     86      -6.9231      1.00000
     87      -6.8819      1.00000
     88      -6.5323      1.00000
     89      -6.4869      1.00000
     90      -6.4607      1.00000
     91      -6.4094      1.00000
     92      -5.9835      1.00000
     93      -5.8969      1.00000
     94      -5.7841      1.00000
     95      -5.7588      1.00000
     96      -5.4318      1.00000
     97      -5.3288      1.00000
     98      -5.2298      1.00000
     99      -5.2174      1.00000
    100      -5.1876      1.00000
    101      -4.6918      1.00000
    102      -4.4214      1.00000
    103      -4.2095      1.00000
    104      -3.8341      1.00000
    105      -3.5292      1.00000
    106      -3.2738      1.00000
    107      -2.5311      0.00000
    108      -1.4582      0.00000
    109      -1.2666      0.00000
    110      -1.2028      0.00000
    111      -1.1724      0.00000
    112      -0.7196      0.00000
    113      -0.5036      0.00000
    114      -0.4119      0.00000
    115      -0.3395      0.00000
    116      -0.1458      0.00000
    117      -0.0030      0.00000
    118       0.1948      0.00000
    119       0.5621      0.00000
    120       0.6126      0.00000
    121       0.8036      0.00000
    122       0.9157      0.00000
    123       1.1418      0.00000
    124       1.5061      0.00000
    125       1.6447      0.00000
    126       1.8738      0.00000
    127       1.9388      0.00000
    128       2.1159      0.00000
    129       2.1191      0.00000
    130       2.1309      0.00000
    131       2.1725      0.00000
    132       2.2800      0.00000
    133       2.3235      0.00000
    134       2.4575      0.00000
    135       2.5791      0.00000
    136       2.6667      0.00000
    137       2.8619      0.00000
    138       2.8729      0.00000
    139       2.9033      0.00000
    140       3.0270      0.00000
    141       3.0357      0.00000
    142       3.1516      0.00000
    143       3.1569      0.00000
    144       3.2384      0.00000
    145       3.2800      0.00000
    146       3.2907      0.00000
    147       3.3077      0.00000
    148       3.3537      0.00000
    149       3.4353      0.00000
    150       3.4541      0.00000
    151       3.5632      0.00000
    152       3.6257      0.00000
    153       3.6810      0.00000
    154       3.7142      0.00000
    155       3.7870      0.00000
    156       3.9029      0.00000
    157       3.9510      0.00000
    158       4.0162      0.00000
    159       4.1523      0.00000
    160       4.2393      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3168      1.00000
      2     -21.9638      1.00000
      3     -21.8916      1.00000
      4     -21.3841      1.00000
      5     -21.3477      1.00000
      6     -20.8389      1.00000
      7     -20.7725      1.00000
      8     -20.6244      1.00000
      9     -20.0891      1.00000
     10     -20.0603      1.00000
     11     -19.7179      1.00000
     12     -19.6891      1.00000
     13     -19.0094      1.00000
     14     -18.9782      1.00000
     15     -18.6494      1.00000
     16     -18.6166      1.00000
     17     -18.4601      1.00000
     18     -17.6601      1.00000
     19     -17.6462      1.00000
     20     -17.6101      1.00000
     21     -17.5775      1.00000
     22     -17.1369      1.00000
     23     -17.0969      1.00000
     24     -16.9656      1.00000
     25     -16.0080      1.00000
     26     -15.9224      1.00000
     27     -15.5984      1.00000
     28     -15.5749      1.00000
     29     -15.2792      1.00000
     30     -14.8764      1.00000
     31     -14.8293      1.00000
     32     -14.5743      1.00000
     33     -14.5364      1.00000
     34     -14.1635      1.00000
     35     -14.1593      1.00000
     36     -13.1620      1.00000
     37     -13.0954      1.00000
     38     -13.0227      1.00000
     39     -13.0180      1.00000
     40     -12.7175      1.00000
     41     -12.6942      1.00000
     42     -12.3402      1.00000
     43     -12.3130      1.00000
     44     -11.6313      1.00000
     45     -11.6220      1.00000
     46     -11.5694      1.00000
     47     -10.9403      1.00000
     48     -10.9224      1.00000
     49     -10.6687      1.00000
     50     -10.5894      1.00000
     51     -10.5726      1.00000
     52     -10.5004      1.00000
     53     -10.4886      1.00000
     54     -10.4388      1.00000
     55     -10.3556      1.00000
     56     -10.1031      1.00000
     57      -9.8969      1.00000
     58      -9.6081      1.00000
     59      -9.5508      1.00000
     60      -9.4537      1.00000
     61      -9.4178      1.00000
     62      -9.4088      1.00000
     63      -9.3788      1.00000
     64      -9.3718      1.00000
     65      -9.2668      1.00000
     66      -9.1649      1.00000
     67      -9.1410      1.00000
     68      -9.1151      1.00000
     69      -8.8656      1.00000
     70      -8.8597      1.00000
     71      -8.8018      1.00000
     72      -8.5956      1.00000
     73      -8.5261      1.00000
     74      -8.1927      1.00000
     75      -8.1700      1.00000
     76      -8.0752      1.00000
     77      -7.8573      1.00000
     78      -7.8364      1.00000
     79      -7.8234      1.00000
     80      -7.7102      1.00000
     81      -7.6958      1.00000
     82      -7.5967      1.00000
     83      -7.5298      1.00000
     84      -7.3497      1.00000
     85      -7.1676      1.00000
     86      -6.9049      1.00000
     87      -6.8956      1.00000
     88      -6.5920      1.00000
     89      -6.5506      1.00000
     90      -6.4058      1.00000
     91      -6.3017      1.00000
     92      -6.2470      1.00000
     93      -6.2008      1.00000
     94      -6.0033      1.00000
     95      -5.5314      1.00000
     96      -5.4645      1.00000
     97      -5.3136      1.00000
     98      -5.2089      1.00000
     99      -5.0467      1.00000
    100      -4.7233      1.00000
    101      -4.6711      1.00000
    102      -4.4238      1.00000
    103      -4.1947      1.00000
    104      -3.8428      1.00000
    105      -3.6344      1.00000
    106      -3.4161      1.00000
    107      -2.2923      0.00000
    108      -1.5094      0.00000
    109      -1.2699      0.00000
    110      -1.2623      0.00000
    111      -1.0343      0.00000
    112      -0.9776      0.00000
    113      -0.8681      0.00000
    114      -0.7999      0.00000
    115      -0.2609      0.00000
    116       0.2042      0.00000
    117       0.2394      0.00000
    118       0.3610      0.00000
    119       0.6989      0.00000
    120       0.8947      0.00000
    121       0.9248      0.00000
    122       1.0470      0.00000
    123       1.1751      0.00000
    124       1.5167      0.00000
    125       1.5764      0.00000
    126       1.7174      0.00000
    127       1.7797      0.00000
    128       1.8312      0.00000
    129       1.9562      0.00000
    130       2.0036      0.00000
    131       2.1771      0.00000
    132       2.2799      0.00000
    133       2.4276      0.00000
    134       2.4373      0.00000
    135       2.5026      0.00000
    136       2.6021      0.00000
    137       2.6185      0.00000
    138       2.7104      0.00000
    139       2.7656      0.00000
    140       2.8785      0.00000
    141       3.0480      0.00000
    142       3.0918      0.00000
    143       3.1815      0.00000
    144       3.2334      0.00000
    145       3.2428      0.00000
    146       3.3054      0.00000
    147       3.3646      0.00000
    148       3.4618      0.00000
    149       3.5357      0.00000
    150       3.7000      0.00000
    151       3.7194      0.00000
    152       3.7557      0.00000
    153       3.8362      0.00000
    154       3.8907      0.00000
    155       3.9437      0.00000
    156       3.9845      0.00000
    157       4.0037      0.00000
    158       4.0255      0.00000
    159       4.0456      0.00000
    160       4.0827      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3890      1.00000
      2     -21.8302      1.00000
      3     -21.6409      1.00000
      4     -21.6058      1.00000
      5     -21.2782      1.00000
      6     -21.2312      1.00000
      7     -21.0558      1.00000
      8     -20.1709      1.00000
      9     -20.1247      1.00000
     10     -19.6164      1.00000
     11     -19.5903      1.00000
     12     -19.4150      1.00000
     13     -19.0941      1.00000
     14     -19.0555      1.00000
     15     -19.0510      1.00000
     16     -19.0382      1.00000
     17     -18.3663      1.00000
     18     -18.3466      1.00000
     19     -18.0160      1.00000
     20     -17.0718      1.00000
     21     -17.0229      1.00000
     22     -16.9493      1.00000
     23     -16.9355      1.00000
     24     -16.4746      1.00000
     25     -16.4626      1.00000
     26     -15.6088      1.00000
     27     -15.6083      1.00000
     28     -15.2491      1.00000
     29     -15.2370      1.00000
     30     -15.1909      1.00000
     31     -15.1009      1.00000
     32     -15.0680      1.00000
     33     -14.6978      1.00000
     34     -14.6969      1.00000
     35     -13.7244      1.00000
     36     -13.7244      1.00000
     37     -13.2347      1.00000
     38     -12.6239      1.00000
     39     -12.5798      1.00000
     40     -12.4540      1.00000
     41     -12.4487      1.00000
     42     -12.1045      1.00000
     43     -12.0996      1.00000
     44     -11.7211      1.00000
     45     -11.6825      1.00000
     46     -11.2452      1.00000
     47     -11.2245      1.00000
     48     -11.0169      1.00000
     49     -11.0053      1.00000
     50     -10.9271      1.00000
     51     -10.8984      1.00000
     52     -10.6364      1.00000
     53     -10.1719      1.00000
     54     -10.1489      1.00000
     55     -10.0843      1.00000
     56      -9.9914      1.00000
     57      -9.6956      1.00000
     58      -9.6890      1.00000
     59      -9.6696      1.00000
     60      -9.5910      1.00000
     61      -9.5671      1.00000
     62      -9.5530      1.00000
     63      -9.3121      1.00000
     64      -9.2994      1.00000
     65      -9.2825      1.00000
     66      -9.2428      1.00000
     67      -9.1214      1.00000
     68      -9.1119      1.00000
     69      -9.1102      1.00000
     70      -8.9387      1.00000
     71      -8.8750      1.00000
     72      -8.6047      1.00000
     73      -8.5859      1.00000
     74      -8.2705      1.00000
     75      -8.1009      1.00000
     76      -7.8674      1.00000
     77      -7.8428      1.00000
     78      -7.7901      1.00000
     79      -7.7642      1.00000
     80      -7.7552      1.00000
     81      -7.4474      1.00000
     82      -7.3343      1.00000
     83      -7.3228      1.00000
     84      -7.2655      1.00000
     85      -7.1618      1.00000
     86      -7.0148      1.00000
     87      -6.9858      1.00000
     88      -6.7171      1.00000
     89      -6.6899      1.00000
     90      -6.6309      1.00000
     91      -6.5899      1.00000
     92      -6.1174      1.00000
     93      -6.0586      1.00000
     94      -6.0441      1.00000
     95      -6.0283      1.00000
     96      -5.7471      1.00000
     97      -4.9746      1.00000
     98      -4.8393      1.00000
     99      -4.7084      1.00000
    100      -4.6728      1.00000
    101      -4.4836      1.00000
    102      -4.3523      1.00000
    103      -4.1117      1.00000
    104      -4.0554      1.00000
    105      -3.7549      1.00000
    106      -3.4653      1.00000
    107      -1.9506      0.00000
    108      -1.7709      0.00000
    109      -1.4797      0.00000
    110      -1.3555      0.00000
    111      -1.3358      0.00000
    112      -1.2926      0.00000
    113      -0.6783      0.00000
    114      -0.4716      0.00000
    115      -0.2356      0.00000
    116       0.0525      0.00000
    117       0.5968      0.00000
    118       0.6922      0.00000
    119       0.7703      0.00000
    120       1.0240      0.00000
    121       1.0966      0.00000
    122       1.1799      0.00000
    123       1.2535      0.00000
    124       1.3417      0.00000
    125       1.4450      0.00000
    126       1.6153      0.00000
    127       1.7524      0.00000
    128       1.8464      0.00000
    129       1.8570      0.00000
    130       1.8925      0.00000
    131       2.0426      0.00000
    132       2.2257      0.00000
    133       2.2491      0.00000
    134       2.3036      0.00000
    135       2.4855      0.00000
    136       2.6123      0.00000
    137       2.6400      0.00000
    138       2.7735      0.00000
    139       2.7940      0.00000
    140       2.8356      0.00000
    141       2.8434      0.00000
    142       2.8517      0.00000
    143       2.9282      0.00000
    144       3.1082      0.00000
    145       3.3209      0.00000
    146       3.3456      0.00000
    147       3.3851      0.00000
    148       3.4102      0.00000
    149       3.4330      0.00000
    150       3.5982      0.00000
    151       3.6394      0.00000
    152       3.6853      0.00000
    153       3.7403      0.00000
    154       3.9039      0.00000
    155       3.9351      0.00000
    156       3.9573      0.00000
    157       4.1085      0.00000
    158       4.2142      0.00000
    159       4.2679      0.00000
    160       4.2887      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2091      1.00000
      2     -22.1183      1.00000
      3     -21.9560      1.00000
      4     -21.4040      1.00000
      5     -21.0455      1.00000
      6     -21.0171      1.00000
      7     -20.4954      1.00000
      8     -20.4655      1.00000
      9     -20.2855      1.00000
     10     -20.2835      1.00000
     11     -19.9561      1.00000
     12     -19.8930      1.00000
     13     -18.8829      1.00000
     14     -18.8153      1.00000
     15     -18.3370      1.00000
     16     -18.3180      1.00000
     17     -18.1485      1.00000
     18     -18.1410      1.00000
     19     -17.8151      1.00000
     20     -17.7971      1.00000
     21     -17.2578      1.00000
     22     -17.2382      1.00000
     23     -17.1594      1.00000
     24     -17.1351      1.00000
     25     -16.1159      1.00000
     26     -15.8798      1.00000
     27     -15.8687      1.00000
     28     -15.8403      1.00000
     29     -15.2302      1.00000
     30     -14.5505      1.00000
     31     -14.5320      1.00000
     32     -14.2750      1.00000
     33     -13.9744      1.00000
     34     -13.9507      1.00000
     35     -13.8245      1.00000
     36     -13.8022      1.00000
     37     -13.6034      1.00000
     38     -13.5782      1.00000
     39     -13.3694      1.00000
     40     -12.6381      1.00000
     41     -12.1684      1.00000
     42     -12.1420      1.00000
     43     -12.0673      1.00000
     44     -12.0205      1.00000
     45     -11.6644      1.00000
     46     -11.6596      1.00000
     47     -11.1364      1.00000
     48     -11.1254      1.00000
     49     -10.7899      1.00000
     50     -10.7338      1.00000
     51     -10.5351      1.00000
     52     -10.2077      1.00000
     53     -10.2015      1.00000
     54     -10.1695      1.00000
     55     -10.0221      1.00000
     56      -9.9934      1.00000
     57      -9.9896      1.00000
     58      -9.8045      1.00000
     59      -9.7953      1.00000
     60      -9.7644      1.00000
     61      -9.7566      1.00000
     62      -9.4541      1.00000
     63      -9.4167      1.00000
     64      -9.0842      1.00000
     65      -9.0454      1.00000
     66      -9.0248      1.00000
     67      -8.9694      1.00000
     68      -8.8970      1.00000
     69      -8.7076      1.00000
     70      -8.6983      1.00000
     71      -8.5598      1.00000
     72      -8.5490      1.00000
     73      -8.4772      1.00000
     74      -8.4591      1.00000
     75      -8.4562      1.00000
     76      -8.3077      1.00000
     77      -8.0943      1.00000
     78      -8.0884      1.00000
     79      -7.9262      1.00000
     80      -7.8312      1.00000
     81      -7.6003      1.00000
     82      -7.5368      1.00000
     83      -7.4427      1.00000
     84      -7.3149      1.00000
     85      -6.9936      1.00000
     86      -6.9189      1.00000
     87      -6.8819      1.00000
     88      -6.5276      1.00000
     89      -6.5144      1.00000
     90      -6.4806      1.00000
     91      -6.4200      1.00000
     92      -5.9265      1.00000
     93      -5.9046      1.00000
     94      -5.7882      1.00000
     95      -5.7743      1.00000
     96      -5.3688      1.00000
     97      -5.3626      1.00000
     98      -5.2195      1.00000
     99      -5.2149      1.00000
    100      -5.1983      1.00000
    101      -4.7202      1.00000
    102      -4.4424      1.00000
    103      -4.1909      1.00000
    104      -3.8205      1.00000
    105      -3.5655      1.00000
    106      -3.2213      1.00000
    107      -2.5622      0.00000
    108      -1.4632      0.00000
    109      -1.2670      0.00000
    110      -1.1851      0.00000
    111      -1.1837      0.00000
    112      -0.6447      0.00000
    113      -0.5515      0.00000
    114      -0.4148      0.00000
    115      -0.3476      0.00000
    116      -0.0774      0.00000
    117      -0.0634      0.00000
    118       0.1268      0.00000
    119       0.5929      0.00000
    120       0.6274      0.00000
    121       0.8637      0.00000
    122       0.9951      0.00000
    123       1.0105      0.00000
    124       1.5010      0.00000
    125       1.6934      0.00000
    126       1.7901      0.00000
    127       1.8768      0.00000
    128       2.1154      0.00000
    129       2.1287      0.00000
    130       2.1813      0.00000
    131       2.2103      0.00000
    132       2.2512      0.00000
    133       2.3392      0.00000
    134       2.4940      0.00000
    135       2.5030      0.00000
    136       2.6779      0.00000
    137       2.8524      0.00000
    138       2.8611      0.00000
    139       2.9639      0.00000
    140       3.0156      0.00000
    141       3.0514      0.00000
    142       3.1452      0.00000
    143       3.1675      0.00000
    144       3.2523      0.00000
    145       3.2607      0.00000
    146       3.2841      0.00000
    147       3.3104      0.00000
    148       3.3625      0.00000
    149       3.4290      0.00000
    150       3.5608      0.00000
    151       3.5742      0.00000
    152       3.6573      0.00000
    153       3.6637      0.00000
    154       3.6805      0.00000
    155       3.7135      0.00000
    156       3.9058      0.00000
    157       3.9695      0.00000
    158       4.0505      0.00000
    159       4.0964      0.00000
    160       4.2026      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2826      1.00000
      2     -22.0780      1.00000
      3     -21.7197      1.00000
      4     -21.6804      1.00000
      5     -20.9822      1.00000
      6     -20.9344      1.00000
      7     -20.6108      1.00000
      8     -20.5785      1.00000
      9     -20.5650      1.00000
     10     -20.0316      1.00000
     11     -19.5129      1.00000
     12     -19.4828      1.00000
     13     -19.3108      1.00000
     14     -19.2979      1.00000
     15     -18.4490      1.00000
     16     -18.4059      1.00000
     17     -17.9271      1.00000
     18     -17.9067      1.00000
     19     -17.7653      1.00000
     20     -17.7203      1.00000
     21     -17.4412      1.00000
     22     -17.4227      1.00000
     23     -17.3374      1.00000
     24     -16.4707      1.00000
     25     -16.4604      1.00000
     26     -15.9698      1.00000
     27     -15.4104      1.00000
     28     -15.4094      1.00000
     29     -15.0954      1.00000
     30     -15.0923      1.00000
     31     -14.8524      1.00000
     32     -14.8401      1.00000
     33     -14.2973      1.00000
     34     -14.2536      1.00000
     35     -13.4438      1.00000
     36     -13.4000      1.00000
     37     -13.1746      1.00000
     38     -13.1732      1.00000
     39     -12.9848      1.00000
     40     -12.9759      1.00000
     41     -12.6101      1.00000
     42     -12.6081      1.00000
     43     -12.1962      1.00000
     44     -11.5790      1.00000
     45     -11.5379      1.00000
     46     -11.3129      1.00000
     47     -11.2825      1.00000
     48     -11.1415      1.00000
     49     -10.6922      1.00000
     50     -10.6629      1.00000
     51     -10.5465      1.00000
     52     -10.3216      1.00000
     53     -10.3138      1.00000
     54     -10.1748      1.00000
     55     -10.1211      1.00000
     56     -10.1077      1.00000
     57      -9.8107      1.00000
     58      -9.7518      1.00000
     59      -9.7514      1.00000
     60      -9.7015      1.00000
     61      -9.6977      1.00000
     62      -9.6459      1.00000
     63      -9.3520      1.00000
     64      -9.3506      1.00000
     65      -9.3177      1.00000
     66      -9.0272      1.00000
     67      -8.9609      1.00000
     68      -8.9570      1.00000
     69      -8.7745      1.00000
     70      -8.5915      1.00000
     71      -8.5876      1.00000
     72      -8.4229      1.00000
     73      -8.3487      1.00000
     74      -8.3220      1.00000
     75      -8.3015      1.00000
     76      -8.2653      1.00000
     77      -8.2538      1.00000
     78      -8.2391      1.00000
     79      -7.9207      1.00000
     80      -7.7333      1.00000
     81      -7.3792      1.00000
     82      -7.3497      1.00000
     83      -7.3241      1.00000
     84      -7.2170      1.00000
     85      -7.1597      1.00000
     86      -7.0645      1.00000
     87      -6.9602      1.00000
     88      -6.9045      1.00000
     89      -6.6134      1.00000
     90      -6.5563      1.00000
     91      -6.2710      1.00000
     92      -5.9959      1.00000
     93      -5.9587      1.00000
     94      -5.6747      1.00000
     95      -5.6482      1.00000
     96      -5.3869      1.00000
     97      -5.3143      1.00000
     98      -5.2933      1.00000
     99      -5.2114      1.00000
    100      -5.1998      1.00000
    101      -4.5116      1.00000
    102      -4.3388      1.00000
    103      -3.9964      1.00000
    104      -3.8858      1.00000
    105      -3.7928      1.00000
    106      -3.4432      1.00000
    107      -2.0344      0.00000
    108      -1.8631      0.00000
    109      -1.2176      0.00000
    110      -1.1839      0.00000
    111      -1.0358      0.00000
    112      -0.7722      0.00000
    113      -0.6773      0.00000
    114      -0.6600      0.00000
    115      -0.6098      0.00000
    116      -0.1008      0.00000
    117       0.2223      0.00000
    118       0.2405      0.00000
    119       0.7791      0.00000
    120       0.9919      0.00000
    121       1.0756      0.00000
    122       1.2435      0.00000
    123       1.2530      0.00000
    124       1.3489      0.00000
    125       1.5827      0.00000
    126       1.5852      0.00000
    127       1.7201      0.00000
    128       1.7994      0.00000
    129       1.9591      0.00000
    130       1.9829      0.00000
    131       2.0600      0.00000
    132       2.2691      0.00000
    133       2.3421      0.00000
    134       2.4294      0.00000
    135       2.5571      0.00000
    136       2.6358      0.00000
    137       2.7375      0.00000
    138       2.8046      0.00000
    139       2.8541      0.00000
    140       2.8739      0.00000
    141       3.0533      0.00000
    142       3.1111      0.00000
    143       3.1694      0.00000
    144       3.2305      0.00000
    145       3.3783      0.00000
    146       3.4202      0.00000
    147       3.5159      0.00000
    148       3.5636      0.00000
    149       3.5931      0.00000
    150       3.6148      0.00000
    151       3.6597      0.00000
    152       3.7432      0.00000
    153       3.7558      0.00000
    154       3.7694      0.00000
    155       3.7890      0.00000
    156       3.8782      0.00000
    157       4.0239      0.00000
    158       4.0993      0.00000
    159       4.1810      0.00000
    160       4.2248      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0426   -7.3902    4.1985   -1.2760   -0.2387   17.5960    0.1472   -0.5323    0.6338   -0.4649
x    -3.0921   -0.0374   -0.0632    0.0616   -0.0091   -2.9776   -0.0110   -0.0070    0.0049    0.0016
x    -0.0966    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0426    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0940   -0.0087    0.0374    0.0377
y    -0.0459   -3.2472   -0.5381   -0.1636   -1.1811   -0.6054
z   204.0426    1.1261   -0.2804    0.0409    0.0090    0.0616    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0776    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1537
z    -0.2833    0.1871   -0.0389    0.0471   -0.1050    0.0013
 total charge-density along one line
x   212.0000  -10.2204    6.1465   -2.0860   -0.4745   19.5131   -0.9961    0.4744   -0.0450   -0.1261
x    -2.6452   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2204    6.1465   -2.0860   -0.4745   19.5131   -0.9961    0.4744   -0.0450   -0.1261
y    -2.6452   -0.0277   -0.0610    0.0845   -0.0532   -2.2247   -0.0249   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4925  189.2915 -170.3633  153.6408 -139.4221  125.4143 -110.0985   93.9508  -78.3371
z    64.1291  -51.4791   40.4163  -31.2126   24.1171  -18.9351   15.0230  -11.7120    8.7096   -6.1166
z     4.1274   -2.7563    1.8196   -1.1096    0.5388   -0.1263   -0.1118    0.2283   -0.3097    0.4002
z    -0.4768    0.4933   -0.4400    0.3549   -0.2860    0.2511   -0.2333    0.2087   -0.1709    0.1317
z    -0.1037    0.0880   -0.0768    0.0636   -0.0490    0.0374   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.006   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.023   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.312   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.031   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.312   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.312   0.000   0.000   0.158   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.585  -0.239   0.000   0.058   0.000   0.000
  0.000  -0.312   0.000   0.629   0.000   0.000  -0.191   0.000   0.379   0.000   0.000   0.000  -0.051   0.000   0.069   0.006
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.369  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.031   0.000   0.010   0.082   0.000  -0.239   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.264   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.262   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.786   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.634
 23        0.864   1.782   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.645
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.645
 36        0.864   1.771   0.000   2.634
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.647
 40        0.863   1.786   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.867  89.425   8.029 142.321
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  113.84: CPU time   57.42
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  440.67: CPU time  220.75
    STRESS:  VPU time 1326.95: CPU time  666.32
    FORCOR:  VPU time    8.69: CPU time    8.69
    FORHAR:  VPU time    2.29: CPU time    2.30
    MIXING:  VPU time    0.19: CPU time    0.19
 d Force = 0.2903297E-07[ 0.110E-07, 0.470E-07]  d Energy = 0.1711767E-05-0.168E-05
 d Force = 0.1717568E-01[ 0.172E-01, 0.172E-01]  d Ewald  = 0.4809246E-01-0.309E-01


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726408 eV

  energy  without entropy=     -471.726408  energy(sigma->0) =     -471.726408
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40837.63  40792.11 -47535.93    -39.42      0.00      0.00
  Hartree  40262.08  40242.98 -39520.75    -16.54      0.00      0.00
  E(xc)     -779.43   -779.72   -807.36     -0.25      0.00      0.00
  Local   -83383.76 -83328.17  84371.49     48.14      0.00      0.00
  n-local   -216.80   -215.67   -203.37      0.71      0.00      0.00
  augment     20.06     22.05     17.81      1.73      0.00      0.00
  Kinetic   3162.36   3176.02   3583.96      3.47      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.19     -0.21     -0.22     -0.01      0.00      0.00
  in kB       -0.12     -0.13     -0.13     -0.01      0.00      0.00
  external pressure =       -0.13 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345853048  0.000935775  0.000000000     0.080995314  0.046754549  0.000000000
    -6.172122762 10.692286337  0.000000000    -0.000007089  0.093521275  0.000000000
     0.000000000  0.000000000 19.983625488     0.000000000  0.000000000  0.050040970

  length of vectors
    12.345853084 12.345853008 19.983625488     0.093521274  0.093521275  0.050040970


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.473E-05 -.490E-04 -.951E+03   0.449E-05 -.278E-04 0.960E+03   0.254E-20 0.339E-20 -.869E+01   -.970E-08 0.549E-08 -.996E-03
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   -.194E-04 0.104E-04 -.235E-03
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   0.194E-04 -.104E-04 -.235E-03
   -.205E+01 0.118E+01 0.163E+02   0.205E+01 -.119E+01 -.163E+02   -.296E-02 0.171E-02 -.240E-01   -.411E-04 0.207E-04 0.990E-04
   0.617E+01 0.684E+01 0.194E+02   -.617E+01 -.686E+01 -.193E+02   0.874E-03 0.209E-01 -.273E-01   0.375E-04 -.625E-04 0.123E-03
   0.112E+02 0.509E+01 0.161E+02   -.112E+02 -.510E+01 -.161E+02   0.202E-01 0.826E-02 -.482E-01   -.565E-04 0.477E-04 0.127E-03
   0.472E+01 -.887E+00 0.126E+02   -.474E+01 0.896E+00 -.126E+02   0.148E-01 -.743E-02 -.179E-01   0.162E-04 0.548E-04 0.125E-03
   -.308E+01 -.253E+01 0.126E+02   0.307E+01 0.253E+01 -.126E+02   -.130E-02 0.265E-02 -.129E-01   -.649E-04 0.604E-04 0.957E-04
   0.653E+00 0.393E+01 0.126E+02   -.654E+00 -.393E+01 -.126E+02   -.295E-02 -.198E-03 -.129E-01   -.903E-04 0.198E-04 0.924E-04
   0.242E+01 0.188E+02 0.240E+02   -.242E+01 -.190E+02 -.240E+02   -.225E-02 0.103E+00 -.483E-01   0.282E-05 0.217E-03 0.158E-03
   0.227E+02 0.214E+02 0.423E+02   -.227E+02 -.216E+02 -.422E+02   0.767E-01 0.262E+00 -.607E-01   -.214E-03 0.473E-04 0.232E-03
   0.268E+02 -.344E+01 0.256E+02   -.271E+02 0.355E+01 -.256E+02   0.269E+00 -.109E+00 -.336E-01   0.638E-04 0.314E-04 0.196E-03
   0.914E+01 -.528E+01 0.136E+02   -.919E+01 0.530E+01 -.136E+02   0.422E-01 -.243E-01 -.121E-01   0.387E-04 -.288E-04 0.979E-04
   0.313E+01 -.365E+01 0.126E+02   -.315E+01 0.366E+01 -.126E+02   0.138E-01 -.906E-02 -.179E-01   -.416E-04 -.457E-04 0.118E-03
   -.592E+01 0.136E+02 0.161E+02   0.592E+01 -.137E+02 -.161E+02   -.138E-02 0.714E-01 -.518E-01   -.513E-04 -.143E-04 0.133E-03
   -.118E+02 0.362E+02 0.478E+02   0.119E+02 -.369E+02 -.481E+02   -.315E-01 0.613E+00 0.294E+00   -.245E-04 -.180E-04 0.238E-03
   0.237E+02 -.137E+02 0.941E+02   -.243E+02 0.140E+02 -.961E+02   0.637E+00 -.368E+00 0.205E+01   -.385E-05 -.445E-06 0.115E-03
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.229E+00 -.179E+00 -.336E-01   0.241E-05 -.788E-04 0.192E-03
   0.119E+01 -.122E+02 0.161E+02   -.120E+01 0.123E+02 -.161E+02   0.294E-02 -.216E-01 -.482E-01   -.663E-04 0.240E-04 0.122E-03
   -.414E+01 0.192E+01 0.116E+02   0.413E+01 -.193E+01 -.116E+02   -.225E-03 0.988E-02 -.438E-01   -.840E-04 0.236E-04 0.972E-04
   -.193E+02 0.111E+02 0.218E+02   0.193E+02 -.112E+02 -.217E+02   -.503E-01 0.290E-01 -.430E-01   -.387E-04 0.261E-04 0.154E-03
   -.373E+02 -.786E+01 0.478E+02   0.379E+02 0.814E+01 -.481E+02   -.546E+00 -.279E+00 0.294E+00   0.663E-05 0.295E-04 0.240E-03
   -.717E+01 -.303E+02 0.423E+02   0.735E+01 0.305E+02 -.422E+02   -.189E+00 -.198E+00 -.607E-01   -.145E-03 0.157E-03 0.231E-03
   -.284E+01 -.876E+01 0.194E+02   0.286E+01 0.877E+01 -.193E+02   -.177E-01 -.112E-01 -.273E-01   0.747E-04 -.316E-05 0.122E-03
   0.139E+01 -.805E+00 0.134E+02   -.140E+01 0.807E+00 -.134E+02   -.149E-03 0.863E-04 -.179E-01   -.724E-04 0.440E-04 0.889E-04
   -.373E+01 0.262E+01 0.116E+02   0.374E+01 -.262E+01 -.116E+02   -.866E-02 -.474E-02 -.438E-01   -.606E-04 0.657E-04 0.101E-03
   -.148E+02 -.169E+01 0.161E+02   0.148E+02 0.173E+01 -.161E+02   -.625E-01 -.345E-01 -.518E-01   -.115E-04 0.501E-04 0.139E-03
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.907E-01 -.498E-01 -.483E-01   -.185E-03 -.116E-03 0.160E-03
   0.284E+01 0.876E+01 0.194E+02   -.286E+01 -.877E+01 -.193E+02   0.177E-01 0.112E-01 -.273E-01   -.747E-04 0.316E-05 0.122E-03
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.907E-01 0.498E-01 -.483E-01   0.185E-03 0.116E-03 0.160E-03
   0.148E+02 0.169E+01 0.161E+02   -.148E+02 -.173E+01 -.161E+02   0.625E-01 0.345E-01 -.518E-01   0.115E-04 -.501E-04 0.139E-03
   0.373E+01 -.262E+01 0.116E+02   -.374E+01 0.262E+01 -.116E+02   0.866E-02 0.474E-02 -.438E-01   0.606E-04 -.657E-04 0.101E-03
   -.139E+01 0.805E+00 0.134E+02   0.140E+01 -.807E+00 -.134E+02   0.149E-03 -.863E-04 -.179E-01   0.724E-04 -.440E-04 0.889E-04
   -.119E+01 0.122E+02 0.161E+02   0.120E+01 -.123E+02 -.161E+02   -.294E-02 0.216E-01 -.482E-01   0.663E-04 -.240E-04 0.122E-03
   0.717E+01 0.303E+02 0.423E+02   -.735E+01 -.305E+02 -.422E+02   0.189E+00 0.198E+00 -.607E-01   0.145E-03 -.157E-03 0.231E-03
   0.373E+02 0.786E+01 0.478E+02   -.379E+02 -.814E+01 -.481E+02   0.546E+00 0.279E+00 0.294E+00   -.663E-05 -.295E-04 0.240E-03
   0.193E+02 -.111E+02 0.218E+02   -.193E+02 0.112E+02 -.217E+02   0.503E-01 -.290E-01 -.430E-01   0.387E-04 -.261E-04 0.154E-03
   0.414E+01 -.192E+01 0.116E+02   -.413E+01 0.193E+01 -.116E+02   0.225E-03 -.988E-02 -.438E-01   0.840E-04 -.236E-04 0.972E-04
   -.313E+01 0.365E+01 0.126E+02   0.315E+01 -.366E+01 -.126E+02   -.138E-01 0.906E-02 -.179E-01   0.416E-04 0.457E-04 0.118E-03
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.229E+00 0.179E+00 -.336E-01   -.240E-05 0.788E-04 0.192E-03
   -.237E+02 0.137E+02 0.941E+02   0.243E+02 -.140E+02 -.961E+02   -.637E+00 0.368E+00 0.205E+01   0.385E-05 0.448E-06 0.115E-03
   0.118E+02 -.362E+02 0.478E+02   -.119E+02 0.369E+02 -.481E+02   0.315E-01 -.613E+00 0.294E+00   0.245E-04 0.180E-04 0.238E-03
   0.592E+01 -.136E+02 0.161E+02   -.592E+01 0.137E+02 -.161E+02   0.138E-02 -.714E-01 -.518E-01   0.513E-04 0.142E-04 0.133E-03
   -.653E+00 -.393E+01 0.126E+02   0.654E+00 0.393E+01 -.126E+02   0.295E-02 0.198E-03 -.129E-01   0.902E-04 -.198E-04 0.924E-04
   -.914E+01 0.528E+01 0.136E+02   0.919E+01 -.530E+01 -.136E+02   -.422E-01 0.243E-01 -.121E-01   -.387E-04 0.288E-04 0.979E-04
   -.268E+02 0.344E+01 0.256E+02   0.271E+02 -.355E+01 -.256E+02   -.269E+00 0.109E+00 -.336E-01   -.638E-04 -.314E-04 0.196E-03
   -.227E+02 -.214E+02 0.423E+02   0.227E+02 0.216E+02 -.422E+02   -.767E-01 -.262E+00 -.607E-01   0.214E-03 -.473E-04 0.232E-03
   -.242E+01 -.188E+02 0.240E+02   0.242E+01 0.190E+02 -.240E+02   0.225E-02 -.103E+00 -.483E-01   -.283E-05 -.217E-03 0.158E-03
   0.205E+01 -.118E+01 0.163E+02   -.205E+01 0.119E+01 -.163E+02   0.296E-02 -.171E-02 -.240E-01   0.411E-04 -.207E-04 0.990E-04
   0.308E+01 0.253E+01 0.126E+02   -.307E+01 -.253E+01 -.126E+02   0.130E-02 -.265E-02 -.129E-01   0.649E-04 -.604E-04 0.957E-04
   -.472E+01 0.887E+00 0.126E+02   0.474E+01 -.896E+00 -.126E+02   -.148E-01 0.743E-02 -.179E-01   -.162E-04 -.548E-04 0.125E-03
   -.112E+02 -.509E+01 0.161E+02   0.112E+02 0.510E+01 -.161E+02   -.202E-01 -.826E-02 -.482E-01   0.565E-04 -.477E-04 0.127E-03
   -.617E+01 -.684E+01 0.194E+02   0.617E+01 0.686E+01 -.193E+02   -.874E-03 -.209E-01 -.273E-01   -.375E-04 0.625E-04 0.123E-03
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.290E-03 0.100E+02   -.107E-12 0.153E-12 -.256E-12   0.219E-15 0.114E-15 -.100E+02   -.130E-07 0.882E-08 0.573E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85233      6.05937     12.26278         0.000000      0.000000      0.007918
      1.07516      6.50807     13.52199        -0.000734      0.000424      0.013664
      2.62950      5.61067     13.52199         0.000734     -0.000424      0.013664
      0.00014     -0.00008      9.90943        -0.001981      0.001144      0.000283
     -1.23477      2.13699      9.90810        -0.000282      0.000350      0.000073
     -2.47002      4.27664      9.92809        -0.002694      0.002140     -0.000416
     -3.70373      6.41546      9.93584        -0.001906      0.001392     -0.001074
     -4.93746      8.55381      9.92636        -0.004009      0.002267     -0.000268
      2.46931     -0.00001      9.92636        -0.003967      0.002338     -0.000268
      1.23402      2.13681      9.91765        -0.002736      0.002176     -0.000896
     -0.00257      4.27104      9.93020        -0.004861      0.003679     -0.002187
     -1.23828      6.41611      9.95225         0.000318      0.001090     -0.000898
     -2.46886      8.55421      9.93764        -0.001033      0.000596      0.000650
      4.93804      0.00072      9.93584        -0.002159      0.000955     -0.001074
      3.70435      2.13694      9.93910        -0.001881     -0.000701     -0.001045
      2.47006      4.26880      9.96678        -0.003318      0.000861     -0.002456
      1.22927      6.41909      9.97301        -0.004404      0.002543     -0.000064
     -0.00192      8.55754      9.95225        -0.000785     -0.000820     -0.000898
      7.40716      0.00171      9.92809        -0.003200      0.001263     -0.000416
      6.17282      2.13908      9.93442        -0.002824      0.001726     -0.000410
      4.93926      4.27713      9.94711         0.000915     -0.000529      0.000300
      3.71187      6.41969      9.96678        -0.002405      0.002443     -0.002456
      2.47362      8.55992      9.93020        -0.005617      0.002371     -0.002187
      9.87778      0.00178      9.90810        -0.000445      0.000069      0.000073
      8.64214      2.13927      9.91928        -0.003488      0.002014      0.000363
      7.40765      4.27787      9.93442        -0.002907      0.001583     -0.000410
      6.17527      6.41669      9.93910        -0.000333      0.001979     -0.001045
      4.94022      8.55612      9.91765        -0.003253      0.001281     -0.000896
     -0.00099      1.42467      9.90810         0.000445     -0.000069      0.000073
     -1.23555      3.56261      9.91765         0.003253     -0.001281     -0.000896
     -2.47060      5.70204      9.93910         0.000333     -0.001979     -0.001045
     -3.70298      7.84087      9.93442         0.002907     -0.001583     -0.000410
     -4.93748      9.97946      9.91928         0.003488     -0.002014      0.000363
      2.46963      1.42474      9.92809         0.003200     -0.001263     -0.000416
      1.23104      3.55881      9.93020         0.005617     -0.002371     -0.002187
     -0.00720      5.69905      9.96678         0.002405     -0.002443     -0.002456
     -1.23459      7.84160      9.94711        -0.000915      0.000529      0.000300
     -2.46815      9.97966      9.93442         0.002824     -0.001726     -0.000410
      4.93875      1.42573      9.93584         0.002159     -0.000955     -0.001074
      3.70659      3.56120      9.95225         0.000785      0.000820     -0.000898
      2.47539      5.69964      9.97301         0.004404     -0.002543     -0.000064
      1.23461      7.84993      9.96678         0.003318     -0.000861     -0.002456
      0.00032      9.98180      9.93910         0.001881      0.000701     -0.001045
      7.40748      1.42646      9.92636         0.003967     -0.002338     -0.000268
      6.17353      3.56453      9.93764         0.001033     -0.000596      0.000650
      4.94294      5.70262      9.95225        -0.000318     -0.001090     -0.000898
      3.70723      7.84770      9.93020         0.004861     -0.003679     -0.002187
      2.47064      9.98193      9.91765         0.002736     -0.002176     -0.000896
      9.87665      1.42653      9.90943         0.001981     -0.001144      0.000283
      8.64213      3.56493      9.92636         0.004009     -0.002267     -0.000268
      7.40839      5.70328      9.93584         0.001906     -0.001392     -0.001074
      6.17468      7.84209      9.92809         0.002694     -0.002140     -0.000416
      4.93944      9.98175      9.90810         0.000282     -0.000350      0.000073
 -----------------------------------------------------------------------------------
    total drift:                               -0.001802      0.000290      0.011628


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.96: CPU time    1.96
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.36
    ORTHCH:  VPU time  183.07: CPU time   91.82
     LOOP+:  VPU time 4972.46: CPU time 2552.53


----------------------------------------- Iteration   44(   1)  ---------------------------------------


    POTLOK:  VPU time    9.14: CPU time    9.12
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1584.57: CPU time  822.30
 BZINTS: Fermi energy: -3.206875;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.92: CPU time   57.46
    MIXING:  VPU time    0.13: CPU time    0.13
    ------------------------------------------
      LOOP:  VPU time 1708.17: CPU time  889.39

 eigenvalue-minimisations  :  4968
 total energy-change (2. order) :-0.4717264E+03  (-0.3942263E-04)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9574043 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.37319E-03    rms(broyden)= 0.37304E-03
  rms(prec ) = 0.41060E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34093.07376189
  -1/2 Hartree   DENC   =    -40983.76864483
  -V(xc)+E(xc)   XCENC  =       726.57527879
  PAW double counting   =      4093.60467588    -4131.95090371
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.70044077
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72641915 eV

  energy without entropy =     -471.72641915  energy(sigma->0) =     -471.72641915


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   44(   2)  ---------------------------------------


    POTLOK:  VPU time    8.21: CPU time    8.22
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 1361.50: CPU time  703.54
 BZINTS: Fermi energy: -3.206794;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1370.10: CPU time  712.13

 eigenvalue-minimisations  :  3968
 total energy-change (2. order) :-0.9493669E-06  (-0.7636568E-06)
 number of electron  212.0000060 magnetization    0.0000000
 augmentation part     7.9574043 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34093.07376189
  -1/2 Hartree   DENC   =    -40983.73213389
  -V(xc)+E(xc)   XCENC  =       726.57465580
  PAW double counting   =      4093.59016282    -4131.93629116
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.73642916
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72642010 eV

  energy without entropy =     -471.72642010  energy(sigma->0) =     -471.72642010


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2180       2 -39.5366       3 -39.5366       4 -58.3139       5 -58.3180
       6 -58.3204       7 -58.3150       8 -58.3153       9 -58.3153      10 -58.3218
      11 -58.3879      12 -58.3518      13 -58.3233      14 -58.3150      15 -58.3248
      16 -58.5430      17 -58.7299      18 -58.3518      19 -58.3204      20 -58.3201
      21 -58.3580      22 -58.5430      23 -58.3880      24 -58.3180      25 -58.3231
      26 -58.3201      27 -58.3248      28 -58.3218      29 -58.3178      30 -58.3217
      31 -58.3247      32 -58.3200      33 -58.3230      34 -58.3203      35 -58.3879
      36 -58.5429      37 -58.3579      38 -58.3200      39 -58.3149      40 -58.3517
      41 -58.7298      42 -58.5429      43 -58.3247      44 -58.3152      45 -58.3232
      46 -58.3517      47 -58.3879      48 -58.3217      49 -58.3138      50 -58.3152
      51 -58.3149      52 -58.3203      53 -58.3179
 
 
 
 E-fermi :  -3.2068     XC(G=0):  -2.3388     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4257      1.00000
      2     -21.6026      1.00000
      3     -21.4808      1.00000
      4     -21.4717      1.00000
      5     -21.4401      1.00000
      6     -21.4394      1.00000
      7     -21.4292      1.00000
      8     -19.7069      1.00000
      9     -19.6520      1.00000
     10     -19.6289      1.00000
     11     -19.6176      1.00000
     12     -19.6124      1.00000
     13     -19.6114      1.00000
     14     -18.7892      1.00000
     15     -18.7540      1.00000
     16     -18.7343      1.00000
     17     -18.7249      1.00000
     18     -18.7175      1.00000
     19     -18.7122      1.00000
     20     -16.6346      1.00000
     21     -16.6086      1.00000
     22     -16.5842      1.00000
     23     -16.5808      1.00000
     24     -16.5538      1.00000
     25     -16.5521      1.00000
     26     -15.6136      1.00000
     27     -15.6014      1.00000
     28     -15.5982      1.00000
     29     -15.5642      1.00000
     30     -15.5623      1.00000
     31     -15.5609      1.00000
     32     -14.2591      1.00000
     33     -14.2501      1.00000
     34     -14.2401      1.00000
     35     -14.2351      1.00000
     36     -14.2218      1.00000
     37     -14.2187      1.00000
     38     -11.9052      1.00000
     39     -11.8785      1.00000
     40     -11.8674      1.00000
     41     -11.8653      1.00000
     42     -11.8445      1.00000
     43     -11.8443      1.00000
     44     -11.7703      1.00000
     45     -11.7680      1.00000
     46     -11.7348      1.00000
     47     -11.7283      1.00000
     48     -11.7246      1.00000
     49     -11.7214      1.00000
     50     -10.6753      1.00000
     51     -10.3879      1.00000
     52     -10.3831      1.00000
     53     -10.3762      1.00000
     54     -10.3678      1.00000
     55     -10.3550      1.00000
     56     -10.3529      1.00000
     57      -9.9033      1.00000
     58      -9.4496      1.00000
     59      -9.4046      1.00000
     60      -9.3616      1.00000
     61      -9.3610      1.00000
     62      -9.3531      1.00000
     63      -9.1415      1.00000
     64      -9.1219      1.00000
     65      -9.1205      1.00000
     66      -9.0845      1.00000
     67      -9.0709      1.00000
     68      -9.0704      1.00000
     69      -9.0702      1.00000
     70      -9.0641      1.00000
     71      -9.0634      1.00000
     72      -9.0384      1.00000
     73      -9.0284      1.00000
     74      -9.0252      1.00000
     75      -8.1294      1.00000
     76      -7.7461      1.00000
     77      -7.4686      1.00000
     78      -7.4657      1.00000
     79      -7.4537      1.00000
     80      -7.4337      1.00000
     81      -7.4238      1.00000
     82      -7.4062      1.00000
     83      -7.3121      1.00000
     84      -7.2702      1.00000
     85      -7.2565      1.00000
     86      -7.2481      1.00000
     87      -7.1497      1.00000
     88      -7.0492      1.00000
     89      -6.4455      1.00000
     90      -6.4153      1.00000
     91      -6.3998      1.00000
     92      -6.3629      1.00000
     93      -6.3522      1.00000
     94      -6.3401      1.00000
     95      -5.9588      1.00000
     96      -5.9575      1.00000
     97      -4.8063      1.00000
     98      -4.5441      1.00000
     99      -4.4812      1.00000
    100      -4.4740      1.00000
    101      -4.3819      1.00000
    102      -4.3812      1.00000
    103      -4.2675      1.00000
    104      -4.1870      1.00000
    105      -3.7391      1.00000
    106      -3.4774      1.00000
    107      -1.8621      0.00000
    108      -1.6702      0.00000
    109      -1.6240      0.00000
    110      -1.5916      0.00000
    111      -1.5757      0.00000
    112      -1.5750      0.00000
    113      -0.4284      0.00000
    114       0.1462      0.00000
    115       0.1916      0.00000
    116       0.2553      0.00000
    117       0.2676      0.00000
    118       0.2710      0.00000
    119       0.4775      0.00000
    120       0.5568      0.00000
    121       1.2587      0.00000
    122       1.2925      0.00000
    123       1.5506      0.00000
    124       1.7770      0.00000
    125       1.7794      0.00000
    126       1.7826      0.00000
    127       1.7831      0.00000
    128       1.8322      0.00000
    129       1.9579      0.00000
    130       1.9717      0.00000
    131       1.9740      0.00000
    132       1.9884      0.00000
    133       1.9958      0.00000
    134       2.0873      0.00000
    135       2.2652      0.00000
    136       2.3446      0.00000
    137       2.6328      0.00000
    138       2.6333      0.00000
    139       2.6638      0.00000
    140       2.7258      0.00000
    141       2.9461      0.00000
    142       3.0308      0.00000
    143       3.0384      0.00000
    144       3.0704      0.00000
    145       3.0716      0.00000
    146       3.0756      0.00000
    147       3.0973      0.00000
    148       3.2875      0.00000
    149       3.4536      0.00000
    150       3.5206      0.00000
    151       3.8259      0.00000
    152       3.9624      0.00000
    153       3.9747      0.00000
    154       3.9766      0.00000
    155       3.9830      0.00000
    156       4.0040      0.00000
    157       4.1911      0.00000
    158       4.2668      0.00000
    159       4.2761      0.00000
    160       4.2885      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3890      1.00000
      2     -21.8299      1.00000
      3     -21.6376      1.00000
      4     -21.6098      1.00000
      5     -21.2741      1.00000
      6     -21.2346      1.00000
      7     -21.0563      1.00000
      8     -20.1671      1.00000
      9     -20.1289      1.00000
     10     -19.6079      1.00000
     11     -19.5969      1.00000
     12     -19.4166      1.00000
     13     -19.0891      1.00000
     14     -19.0593      1.00000
     15     -19.0484      1.00000
     16     -19.0409      1.00000
     17     -18.3601      1.00000
     18     -18.3517      1.00000
     19     -18.0186      1.00000
     20     -17.0688      1.00000
     21     -17.0300      1.00000
     22     -16.9436      1.00000
     23     -16.9394      1.00000
     24     -16.4675      1.00000
     25     -16.4627      1.00000
     26     -15.6132      1.00000
     27     -15.6068      1.00000
     28     -15.2519      1.00000
     29     -15.2432      1.00000
     30     -15.1843      1.00000
     31     -15.0975      1.00000
     32     -15.0707      1.00000
     33     -14.6978      1.00000
     34     -14.6960      1.00000
     35     -13.7259      1.00000
     36     -13.7234      1.00000
     37     -13.2355      1.00000
     38     -12.6140      1.00000
     39     -12.5838      1.00000
     40     -12.4537      1.00000
     41     -12.4500      1.00000
     42     -12.1089      1.00000
     43     -12.1042      1.00000
     44     -11.7165      1.00000
     45     -11.6855      1.00000
     46     -11.2346      1.00000
     47     -11.2258      1.00000
     48     -11.0173      1.00000
     49     -11.0093      1.00000
     50     -10.9259      1.00000
     51     -10.9045      1.00000
     52     -10.6303      1.00000
     53     -10.1548      1.00000
     54     -10.1502      1.00000
     55     -10.0917      1.00000
     56      -9.9978      1.00000
     57      -9.7020      1.00000
     58      -9.6948      1.00000
     59      -9.6551      1.00000
     60      -9.5913      1.00000
     61      -9.5761      1.00000
     62      -9.5582      1.00000
     63      -9.3069      1.00000
     64      -9.3028      1.00000
     65      -9.2733      1.00000
     66      -9.2358      1.00000
     67      -9.1359      1.00000
     68      -9.1152      1.00000
     69      -9.1105      1.00000
     70      -8.9389      1.00000
     71      -8.8714      1.00000
     72      -8.6041      1.00000
     73      -8.5904      1.00000
     74      -8.2359      1.00000
     75      -8.1006      1.00000
     76      -7.9128      1.00000
     77      -7.8631      1.00000
     78      -7.7715      1.00000
     79      -7.7565      1.00000
     80      -7.6915      1.00000
     81      -7.5605      1.00000
     82      -7.3388      1.00000
     83      -7.3226      1.00000
     84      -7.2036      1.00000
     85      -7.1230      1.00000
     86      -7.0315      1.00000
     87      -7.0117      1.00000
     88      -6.7038      1.00000
     89      -6.6774      1.00000
     90      -6.6405      1.00000
     91      -6.5972      1.00000
     92      -6.1161      1.00000
     93      -6.0617      1.00000
     94      -6.0306      1.00000
     95      -6.0108      1.00000
     96      -5.7828      1.00000
     97      -4.9742      1.00000
     98      -4.8317      1.00000
     99      -4.7466      1.00000
    100      -4.6790      1.00000
    101      -4.4686      1.00000
    102      -4.2034      1.00000
    103      -4.1716      1.00000
    104      -4.1276      1.00000
    105      -3.7294      1.00000
    106      -3.4876      1.00000
    107      -1.8704      0.00000
    108      -1.8086      0.00000
    109      -1.5246      0.00000
    110      -1.3773      0.00000
    111      -1.3215      0.00000
    112      -1.2882      0.00000
    113      -0.7201      0.00000
    114      -0.3760      0.00000
    115      -0.2497      0.00000
    116       0.0376      0.00000
    117       0.5627      0.00000
    118       0.6999      0.00000
    119       0.7466      0.00000
    120       1.0492      0.00000
    121       1.0995      0.00000
    122       1.1538      0.00000
    123       1.2288      0.00000
    124       1.3858      0.00000
    125       1.5313      0.00000
    126       1.5985      0.00000
    127       1.7199      0.00000
    128       1.8021      0.00000
    129       1.8570      0.00000
    130       1.8828      0.00000
    131       2.1003      0.00000
    132       2.2000      0.00000
    133       2.2475      0.00000
    134       2.3200      0.00000
    135       2.5246      0.00000
    136       2.6063      0.00000
    137       2.6204      0.00000
    138       2.7861      0.00000
    139       2.7976      0.00000
    140       2.8253      0.00000
    141       2.8360      0.00000
    142       2.9050      0.00000
    143       2.9356      0.00000
    144       3.1011      0.00000
    145       3.1675      0.00000
    146       3.3245      0.00000
    147       3.3604      0.00000
    148       3.4090      0.00000
    149       3.4762      0.00000
    150       3.6134      0.00000
    151       3.6466      0.00000
    152       3.6726      0.00000
    153       3.7195      0.00000
    154       3.9244      0.00000
    155       3.9662      0.00000
    156       4.0254      0.00000
    157       4.0709      0.00000
    158       4.2511      0.00000
    159       4.2609      0.00000
    160       4.2833      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2830      1.00000
      2     -22.0774      1.00000
      3     -21.7160      1.00000
      4     -21.6842      1.00000
      5     -20.9789      1.00000
      6     -20.9382      1.00000
      7     -20.6113      1.00000
      8     -20.5746      1.00000
      9     -20.5683      1.00000
     10     -20.0321      1.00000
     11     -19.5027      1.00000
     12     -19.4911      1.00000
     13     -19.3062      1.00000
     14     -19.3010      1.00000
     15     -18.4472      1.00000
     16     -18.4105      1.00000
     17     -17.9218      1.00000
     18     -17.9124      1.00000
     19     -17.7611      1.00000
     20     -17.7254      1.00000
     21     -17.4354      1.00000
     22     -17.4280      1.00000
     23     -17.3405      1.00000
     24     -16.4623      1.00000
     25     -16.4611      1.00000
     26     -15.9665      1.00000
     27     -15.4134      1.00000
     28     -15.4084      1.00000
     29     -15.0957      1.00000
     30     -15.0927      1.00000
     31     -14.8546      1.00000
     32     -14.8471      1.00000
     33     -14.2899      1.00000
     34     -14.2572      1.00000
     35     -13.4364      1.00000
     36     -13.4039      1.00000
     37     -13.1770      1.00000
     38     -13.1736      1.00000
     39     -12.9811      1.00000
     40     -12.9762      1.00000
     41     -12.6127      1.00000
     42     -12.6093      1.00000
     43     -12.1975      1.00000
     44     -11.5757      1.00000
     45     -11.5419      1.00000
     46     -11.3098      1.00000
     47     -11.2870      1.00000
     48     -11.1419      1.00000
     49     -10.6759      1.00000
     50     -10.6602      1.00000
     51     -10.5524      1.00000
     52     -10.3233      1.00000
     53     -10.3170      1.00000
     54     -10.1685      1.00000
     55     -10.1152      1.00000
     56     -10.1121      1.00000
     57      -9.7974      1.00000
     58      -9.7649      1.00000
     59      -9.7512      1.00000
     60      -9.6992      1.00000
     61      -9.6969      1.00000
     62      -9.6612      1.00000
     63      -9.3545      1.00000
     64      -9.3506      1.00000
     65      -9.3147      1.00000
     66      -9.0404      1.00000
     67      -8.9621      1.00000
     68      -8.9488      1.00000
     69      -8.7987      1.00000
     70      -8.5941      1.00000
     71      -8.5570      1.00000
     72      -8.3977      1.00000
     73      -8.3642      1.00000
     74      -8.3241      1.00000
     75      -8.3066      1.00000
     76      -8.2586      1.00000
     77      -8.2567      1.00000
     78      -8.2356      1.00000
     79      -7.9041      1.00000
     80      -7.6508      1.00000
     81      -7.5493      1.00000
     82      -7.3864      1.00000
     83      -7.3493      1.00000
     84      -7.2310      1.00000
     85      -7.0957      1.00000
     86      -7.0382      1.00000
     87      -6.9332      1.00000
     88      -6.8478      1.00000
     89      -6.6120      1.00000
     90      -6.5589      1.00000
     91      -6.2692      1.00000
     92      -6.0433      1.00000
     93      -5.9510      1.00000
     94      -5.6622      1.00000
     95      -5.6221      1.00000
     96      -5.4628      1.00000
     97      -5.3195      1.00000
     98      -5.2783      1.00000
     99      -5.2134      1.00000
    100      -5.1933      1.00000
    101      -4.5084      1.00000
    102      -4.2075      1.00000
    103      -4.0590      1.00000
    104      -3.9889      1.00000
    105      -3.6941      1.00000
    106      -3.4979      1.00000
    107      -1.9463      0.00000
    108      -1.8961      0.00000
    109      -1.3392      0.00000
    110      -1.0850      0.00000
    111      -1.0579      0.00000
    112      -0.8004      0.00000
    113      -0.6773      0.00000
    114      -0.6470      0.00000
    115      -0.6075      0.00000
    116      -0.1075      0.00000
    117       0.2151      0.00000
    118       0.3295      0.00000
    119       0.7017      0.00000
    120       0.8942      0.00000
    121       1.1291      0.00000
    122       1.1994      0.00000
    123       1.3338      0.00000
    124       1.4297      0.00000
    125       1.5570      0.00000
    126       1.5776      0.00000
    127       1.6940      0.00000
    128       1.8113      0.00000
    129       1.8901      0.00000
    130       2.0631      0.00000
    131       2.1110      0.00000
    132       2.3093      0.00000
    133       2.3546      0.00000
    134       2.4104      0.00000
    135       2.5627      0.00000
    136       2.6371      0.00000
    137       2.7325      0.00000
    138       2.7395      0.00000
    139       2.8053      0.00000
    140       2.8899      0.00000
    141       3.0565      0.00000
    142       3.0667      0.00000
    143       3.1777      0.00000
    144       3.2739      0.00000
    145       3.3688      0.00000
    146       3.4244      0.00000
    147       3.4453      0.00000
    148       3.5703      0.00000
    149       3.5890      0.00000
    150       3.6127      0.00000
    151       3.6634      0.00000
    152       3.6835      0.00000
    153       3.7763      0.00000
    154       3.7859      0.00000
    155       3.8111      0.00000
    156       3.8955      0.00000
    157       3.9345      0.00000
    158       3.9986      0.00000
    159       4.2232      0.00000
    160       4.2313      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3170      1.00000
      2     -21.9623      1.00000
      3     -21.8931      1.00000
      4     -21.3804      1.00000
      5     -21.3511      1.00000
      6     -20.8392      1.00000
      7     -20.7739      1.00000
      8     -20.6236      1.00000
      9     -20.0770      1.00000
     10     -20.0713      1.00000
     11     -19.7163      1.00000
     12     -19.6918      1.00000
     13     -18.9959      1.00000
     14     -18.9900      1.00000
     15     -18.6401      1.00000
     16     -18.6241      1.00000
     17     -18.4618      1.00000
     18     -17.6750      1.00000
     19     -17.6245      1.00000
     20     -17.6217      1.00000
     21     -17.5799      1.00000
     22     -17.1261      1.00000
     23     -17.1045      1.00000
     24     -16.9616      1.00000
     25     -16.0013      1.00000
     26     -15.9286      1.00000
     27     -15.5853      1.00000
     28     -15.5850      1.00000
     29     -15.2863      1.00000
     30     -14.8637      1.00000
     31     -14.8364      1.00000
     32     -14.5788      1.00000
     33     -14.5369      1.00000
     34     -14.1679      1.00000
     35     -14.1543      1.00000
     36     -13.1479      1.00000
     37     -13.1001      1.00000
     38     -13.0295      1.00000
     39     -13.0194      1.00000
     40     -12.7088      1.00000
     41     -12.7047      1.00000
     42     -12.3407      1.00000
     43     -12.3095      1.00000
     44     -11.6353      1.00000
     45     -11.6217      1.00000
     46     -11.5712      1.00000
     47     -10.9488      1.00000
     48     -10.9157      1.00000
     49     -10.6322      1.00000
     50     -10.6245      1.00000
     51     -10.5469      1.00000
     52     -10.4989      1.00000
     53     -10.4987      1.00000
     54     -10.4397      1.00000
     55     -10.3604      1.00000
     56     -10.0987      1.00000
     57      -9.9027      1.00000
     58      -9.6086      1.00000
     59      -9.5563      1.00000
     60      -9.4518      1.00000
     61      -9.4114      1.00000
     62      -9.4047      1.00000
     63      -9.3771      1.00000
     64      -9.3769      1.00000
     65      -9.2866      1.00000
     66      -9.1680      1.00000
     67      -9.1426      1.00000
     68      -9.1140      1.00000
     69      -8.8641      1.00000
     70      -8.8565      1.00000
     71      -8.8146      1.00000
     72      -8.5962      1.00000
     73      -8.4793      1.00000
     74      -8.1981      1.00000
     75      -8.1627      1.00000
     76      -8.0083      1.00000
     77      -7.9635      1.00000
     78      -7.8508      1.00000
     79      -7.8406      1.00000
     80      -7.7041      1.00000
     81      -7.6970      1.00000
     82      -7.6214      1.00000
     83      -7.4485      1.00000
     84      -7.2999      1.00000
     85      -7.2531      1.00000
     86      -6.9060      1.00000
     87      -6.8922      1.00000
     88      -6.5881      1.00000
     89      -6.5507      1.00000
     90      -6.4068      1.00000
     91      -6.2528      1.00000
     92      -6.2323      1.00000
     93      -6.2046      1.00000
     94      -6.0225      1.00000
     95      -5.5496      1.00000
     96      -5.4884      1.00000
     97      -5.3499      1.00000
     98      -5.2192      1.00000
     99      -4.9790      1.00000
    100      -4.7322      1.00000
    101      -4.6776      1.00000
    102      -4.3872      1.00000
    103      -4.2029      1.00000
    104      -3.8709      1.00000
    105      -3.5461      1.00000
    106      -3.5099      1.00000
    107      -2.2560      0.00000
    108      -1.4568      0.00000
    109      -1.3709      0.00000
    110      -1.2418      0.00000
    111      -1.0981      0.00000
    112      -0.9453      0.00000
    113      -0.8639      0.00000
    114      -0.8035      0.00000
    115      -0.1386      0.00000
    116       0.1114      0.00000
    117       0.2408      0.00000
    118       0.3777      0.00000
    119       0.6597      0.00000
    120       0.8364      0.00000
    121       0.9365      0.00000
    122       1.0699      0.00000
    123       1.2419      0.00000
    124       1.4535      0.00000
    125       1.5682      0.00000
    126       1.7662      0.00000
    127       1.7933      0.00000
    128       1.8679      0.00000
    129       1.9870      0.00000
    130       2.0455      0.00000
    131       2.1883      0.00000
    132       2.1914      0.00000
    133       2.4233      0.00000
    134       2.4330      0.00000
    135       2.5093      0.00000
    136       2.6043      0.00000
    137       2.6347      0.00000
    138       2.7052      0.00000
    139       2.7886      0.00000
    140       2.8496      0.00000
    141       2.9651      0.00000
    142       3.0939      0.00000
    143       3.1883      0.00000
    144       3.2122      0.00000
    145       3.2418      0.00000
    146       3.3323      0.00000
    147       3.3412      0.00000
    148       3.4751      0.00000
    149       3.5162      0.00000
    150       3.6994      0.00000
    151       3.7216      0.00000
    152       3.7307      0.00000
    153       3.8664      0.00000
    154       3.9095      0.00000
    155       3.9584      0.00000
    156       3.9821      0.00000
    157       3.9998      0.00000
    158       4.0364      0.00000
    159       4.0587      0.00000
    160       4.0703      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2100      1.00000
      2     -22.1170      1.00000
      3     -21.9562      1.00000
      4     -21.4039      1.00000
      5     -21.0493      1.00000
      6     -21.0133      1.00000
      7     -20.5002      1.00000
      8     -20.4607      1.00000
      9     -20.2945      1.00000
     10     -20.2751      1.00000
     11     -19.9570      1.00000
     12     -19.8913      1.00000
     13     -18.8820      1.00000
     14     -18.8133      1.00000
     15     -18.3525      1.00000
     16     -18.3063      1.00000
     17     -18.1527      1.00000
     18     -18.1354      1.00000
     19     -17.8264      1.00000
     20     -17.7888      1.00000
     21     -17.2515      1.00000
     22     -17.2413      1.00000
     23     -17.1646      1.00000
     24     -17.1324      1.00000
     25     -16.1096      1.00000
     26     -15.8848      1.00000
     27     -15.8697      1.00000
     28     -15.8339      1.00000
     29     -15.2363      1.00000
     30     -14.5547      1.00000
     31     -14.5268      1.00000
     32     -14.2800      1.00000
     33     -13.9637      1.00000
     34     -13.9561      1.00000
     35     -13.8202      1.00000
     36     -13.8044      1.00000
     37     -13.6143      1.00000
     38     -13.5705      1.00000
     39     -13.3693      1.00000
     40     -12.6340      1.00000
     41     -12.1807      1.00000
     42     -12.1327      1.00000
     43     -12.0715      1.00000
     44     -12.0192      1.00000
     45     -11.6696      1.00000
     46     -11.6561      1.00000
     47     -11.1387      1.00000
     48     -11.1181      1.00000
     49     -10.7941      1.00000
     50     -10.7305      1.00000
     51     -10.5282      1.00000
     52     -10.2088      1.00000
     53     -10.2051      1.00000
     54     -10.1638      1.00000
     55     -10.0176      1.00000
     56     -10.0036      1.00000
     57      -9.9902      1.00000
     58      -9.8010      1.00000
     59      -9.7974      1.00000
     60      -9.7622      1.00000
     61      -9.7575      1.00000
     62      -9.4540      1.00000
     63      -9.4167      1.00000
     64      -9.0799      1.00000
     65      -9.0725      1.00000
     66      -9.0404      1.00000
     67      -8.9551      1.00000
     68      -8.8765      1.00000
     69      -8.7120      1.00000
     70      -8.6998      1.00000
     71      -8.5654      1.00000
     72      -8.5425      1.00000
     73      -8.4987      1.00000
     74      -8.4627      1.00000
     75      -8.4527      1.00000
     76      -8.2597      1.00000
     77      -8.1249      1.00000
     78      -8.0427      1.00000
     79      -7.9157      1.00000
     80      -7.8627      1.00000
     81      -7.6143      1.00000
     82      -7.5482      1.00000
     83      -7.4894      1.00000
     84      -7.2683      1.00000
     85      -6.9956      1.00000
     86      -6.9232      1.00000
     87      -6.8822      1.00000
     88      -6.5321      1.00000
     89      -6.4867      1.00000
     90      -6.4607      1.00000
     91      -6.4096      1.00000
     92      -5.9834      1.00000
     93      -5.8970      1.00000
     94      -5.7840      1.00000
     95      -5.7590      1.00000
     96      -5.4317      1.00000
     97      -5.3289      1.00000
     98      -5.2297      1.00000
     99      -5.2173      1.00000
    100      -5.1879      1.00000
    101      -4.6918      1.00000
    102      -4.4213      1.00000
    103      -4.2094      1.00000
    104      -3.8340      1.00000
    105      -3.5290      1.00000
    106      -3.2740      1.00000
    107      -2.5310      0.00000
    108      -1.4583      0.00000
    109      -1.2665      0.00000
    110      -1.2029      0.00000
    111      -1.1724      0.00000
    112      -0.7197      0.00000
    113      -0.5037      0.00000
    114      -0.4121      0.00000
    115      -0.3395      0.00000
    116      -0.1460      0.00000
    117      -0.0032      0.00000
    118       0.1945      0.00000
    119       0.5620      0.00000
    120       0.6125      0.00000
    121       0.8029      0.00000
    122       0.9149      0.00000
    123       1.1409      0.00000
    124       1.5053      0.00000
    125       1.6441      0.00000
    126       1.8727      0.00000
    127       1.9382      0.00000
    128       2.1155      0.00000
    129       2.1226      0.00000
    130       2.1302      0.00000
    131       2.1742      0.00000
    132       2.2798      0.00000
    133       2.3253      0.00000
    134       2.4586      0.00000
    135       2.5793      0.00000
    136       2.6663      0.00000
    137       2.8615      0.00000
    138       2.8727      0.00000
    139       2.9026      0.00000
    140       3.0299      0.00000
    141       3.0372      0.00000
    142       3.1509      0.00000
    143       3.1601      0.00000
    144       3.2395      0.00000
    145       3.2808      0.00000
    146       3.2904      0.00000
    147       3.3071      0.00000
    148       3.3531      0.00000
    149       3.4345      0.00000
    150       3.4535      0.00000
    151       3.5628      0.00000
    152       3.6264      0.00000
    153       3.6842      0.00000
    154       3.7166      0.00000
    155       3.7861      0.00000
    156       3.9022      0.00000
    157       3.9521      0.00000
    158       4.0163      0.00000
    159       4.1512      0.00000
    160       4.2389      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3168      1.00000
      2     -21.9638      1.00000
      3     -21.8916      1.00000
      4     -21.3841      1.00000
      5     -21.3476      1.00000
      6     -20.8389      1.00000
      7     -20.7725      1.00000
      8     -20.6244      1.00000
      9     -20.0891      1.00000
     10     -20.0603      1.00000
     11     -19.7179      1.00000
     12     -19.6891      1.00000
     13     -19.0093      1.00000
     14     -18.9782      1.00000
     15     -18.6494      1.00000
     16     -18.6166      1.00000
     17     -18.4601      1.00000
     18     -17.6600      1.00000
     19     -17.6463      1.00000
     20     -17.6101      1.00000
     21     -17.5775      1.00000
     22     -17.1369      1.00000
     23     -17.0969      1.00000
     24     -16.9655      1.00000
     25     -16.0079      1.00000
     26     -15.9225      1.00000
     27     -15.5983      1.00000
     28     -15.5748      1.00000
     29     -15.2794      1.00000
     30     -14.8762      1.00000
     31     -14.8292      1.00000
     32     -14.5742      1.00000
     33     -14.5365      1.00000
     34     -14.1636      1.00000
     35     -14.1594      1.00000
     36     -13.1618      1.00000
     37     -13.0953      1.00000
     38     -13.0226      1.00000
     39     -13.0181      1.00000
     40     -12.7175      1.00000
     41     -12.6942      1.00000
     42     -12.3401      1.00000
     43     -12.3130      1.00000
     44     -11.6314      1.00000
     45     -11.6222      1.00000
     46     -11.5696      1.00000
     47     -10.9403      1.00000
     48     -10.9224      1.00000
     49     -10.6686      1.00000
     50     -10.5893      1.00000
     51     -10.5726      1.00000
     52     -10.5005      1.00000
     53     -10.4885      1.00000
     54     -10.4386      1.00000
     55     -10.3555      1.00000
     56     -10.1030      1.00000
     57      -9.8969      1.00000
     58      -9.6080      1.00000
     59      -9.5508      1.00000
     60      -9.4536      1.00000
     61      -9.4179      1.00000
     62      -9.4088      1.00000
     63      -9.3788      1.00000
     64      -9.3716      1.00000
     65      -9.2668      1.00000
     66      -9.1651      1.00000
     67      -9.1411      1.00000
     68      -9.1153      1.00000
     69      -8.8657      1.00000
     70      -8.8597      1.00000
     71      -8.8017      1.00000
     72      -8.5957      1.00000
     73      -8.5261      1.00000
     74      -8.1929      1.00000
     75      -8.1701      1.00000
     76      -8.0752      1.00000
     77      -7.8572      1.00000
     78      -7.8365      1.00000
     79      -7.8233      1.00000
     80      -7.7102      1.00000
     81      -7.6958      1.00000
     82      -7.5967      1.00000
     83      -7.5299      1.00000
     84      -7.3497      1.00000
     85      -7.1677      1.00000
     86      -6.9050      1.00000
     87      -6.8955      1.00000
     88      -6.5919      1.00000
     89      -6.5508      1.00000
     90      -6.4056      1.00000
     91      -6.3017      1.00000
     92      -6.2469      1.00000
     93      -6.2010      1.00000
     94      -6.0034      1.00000
     95      -5.5314      1.00000
     96      -5.4648      1.00000
     97      -5.3137      1.00000
     98      -5.2090      1.00000
     99      -5.0466      1.00000
    100      -4.7232      1.00000
    101      -4.6712      1.00000
    102      -4.4237      1.00000
    103      -4.1946      1.00000
    104      -3.8427      1.00000
    105      -3.6343      1.00000
    106      -3.4160      1.00000
    107      -2.2925      0.00000
    108      -1.5096      0.00000
    109      -1.2701      0.00000
    110      -1.2624      0.00000
    111      -1.0345      0.00000
    112      -0.9774      0.00000
    113      -0.8681      0.00000
    114      -0.7998      0.00000
    115      -0.2611      0.00000
    116       0.2040      0.00000
    117       0.2392      0.00000
    118       0.3608      0.00000
    119       0.6982      0.00000
    120       0.8946      0.00000
    121       0.9245      0.00000
    122       1.0464      0.00000
    123       1.1744      0.00000
    124       1.5162      0.00000
    125       1.5755      0.00000
    126       1.7171      0.00000
    127       1.7796      0.00000
    128       1.8317      0.00000
    129       1.9573      0.00000
    130       2.0025      0.00000
    131       2.1777      0.00000
    132       2.2790      0.00000
    133       2.4279      0.00000
    134       2.4397      0.00000
    135       2.5052      0.00000
    136       2.6018      0.00000
    137       2.6184      0.00000
    138       2.7095      0.00000
    139       2.7670      0.00000
    140       2.8781      0.00000
    141       3.0472      0.00000
    142       3.0925      0.00000
    143       3.1838      0.00000
    144       3.2364      0.00000
    145       3.2440      0.00000
    146       3.3059      0.00000
    147       3.3671      0.00000
    148       3.4617      0.00000
    149       3.5349      0.00000
    150       3.6994      0.00000
    151       3.7191      0.00000
    152       3.7553      0.00000
    153       3.8361      0.00000
    154       3.8920      0.00000
    155       3.9441      0.00000
    156       3.9851      0.00000
    157       4.0057      0.00000
    158       4.0265      0.00000
    159       4.0474      0.00000
    160       4.0833      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3889      1.00000
      2     -21.8302      1.00000
      3     -21.6408      1.00000
      4     -21.6058      1.00000
      5     -21.2782      1.00000
      6     -21.2312      1.00000
      7     -21.0558      1.00000
      8     -20.1709      1.00000
      9     -20.1247      1.00000
     10     -19.6163      1.00000
     11     -19.5903      1.00000
     12     -19.4150      1.00000
     13     -19.0940      1.00000
     14     -19.0554      1.00000
     15     -19.0510      1.00000
     16     -19.0382      1.00000
     17     -18.3662      1.00000
     18     -18.3466      1.00000
     19     -18.0160      1.00000
     20     -17.0718      1.00000
     21     -17.0230      1.00000
     22     -16.9492      1.00000
     23     -16.9354      1.00000
     24     -16.4745      1.00000
     25     -16.4625      1.00000
     26     -15.6090      1.00000
     27     -15.6084      1.00000
     28     -15.2493      1.00000
     29     -15.2373      1.00000
     30     -15.1907      1.00000
     31     -15.1006      1.00000
     32     -15.0677      1.00000
     33     -14.6978      1.00000
     34     -14.6970      1.00000
     35     -13.7246      1.00000
     36     -13.7245      1.00000
     37     -13.2345      1.00000
     38     -12.6237      1.00000
     39     -12.5796      1.00000
     40     -12.4539      1.00000
     41     -12.4486      1.00000
     42     -12.1047      1.00000
     43     -12.0999      1.00000
     44     -11.7213      1.00000
     45     -11.6826      1.00000
     46     -11.2450      1.00000
     47     -11.2244      1.00000
     48     -11.0168      1.00000
     49     -11.0052      1.00000
     50     -10.9273      1.00000
     51     -10.8986      1.00000
     52     -10.6363      1.00000
     53     -10.1717      1.00000
     54     -10.1486      1.00000
     55     -10.0841      1.00000
     56      -9.9913      1.00000
     57      -9.6957      1.00000
     58      -9.6891      1.00000
     59      -9.6696      1.00000
     60      -9.5911      1.00000
     61      -9.5672      1.00000
     62      -9.5530      1.00000
     63      -9.3120      1.00000
     64      -9.2993      1.00000
     65      -9.2825      1.00000
     66      -9.2429      1.00000
     67      -9.1214      1.00000
     68      -9.1119      1.00000
     69      -9.1101      1.00000
     70      -8.9387      1.00000
     71      -8.8752      1.00000
     72      -8.6049      1.00000
     73      -8.5861      1.00000
     74      -8.2705      1.00000
     75      -8.1007      1.00000
     76      -7.8677      1.00000
     77      -7.8428      1.00000
     78      -7.7901      1.00000
     79      -7.7642      1.00000
     80      -7.7551      1.00000
     81      -7.4474      1.00000
     82      -7.3341      1.00000
     83      -7.3226      1.00000
     84      -7.2655      1.00000
     85      -7.1618      1.00000
     86      -7.0152      1.00000
     87      -6.9860      1.00000
     88      -6.7171      1.00000
     89      -6.6898      1.00000
     90      -6.6310      1.00000
     91      -6.5900      1.00000
     92      -6.1169      1.00000
     93      -6.0588      1.00000
     94      -6.0440      1.00000
     95      -6.0286      1.00000
     96      -5.7474      1.00000
     97      -4.9745      1.00000
     98      -4.8392      1.00000
     99      -4.7086      1.00000
    100      -4.6730      1.00000
    101      -4.4835      1.00000
    102      -4.3521      1.00000
    103      -4.1116      1.00000
    104      -4.0553      1.00000
    105      -3.7548      1.00000
    106      -3.4653      1.00000
    107      -1.9507      0.00000
    108      -1.7713      0.00000
    109      -1.4798      0.00000
    110      -1.3557      0.00000
    111      -1.3358      0.00000
    112      -1.2924      0.00000
    113      -0.6782      0.00000
    114      -0.4718      0.00000
    115      -0.2358      0.00000
    116       0.0522      0.00000
    117       0.5960      0.00000
    118       0.6920      0.00000
    119       0.7700      0.00000
    120       1.0238      0.00000
    121       1.0966      0.00000
    122       1.1797      0.00000
    123       1.2531      0.00000
    124       1.3413      0.00000
    125       1.4442      0.00000
    126       1.6145      0.00000
    127       1.7541      0.00000
    128       1.8460      0.00000
    129       1.8569      0.00000
    130       1.8919      0.00000
    131       2.0427      0.00000
    132       2.2251      0.00000
    133       2.2480      0.00000
    134       2.3027      0.00000
    135       2.4855      0.00000
    136       2.6153      0.00000
    137       2.6396      0.00000
    138       2.7723      0.00000
    139       2.7965      0.00000
    140       2.8360      0.00000
    141       2.8464      0.00000
    142       2.8517      0.00000
    143       2.9302      0.00000
    144       3.1071      0.00000
    145       3.3216      0.00000
    146       3.3479      0.00000
    147       3.3872      0.00000
    148       3.4111      0.00000
    149       3.4344      0.00000
    150       3.6010      0.00000
    151       3.6419      0.00000
    152       3.6871      0.00000
    153       3.7405      0.00000
    154       3.9042      0.00000
    155       3.9350      0.00000
    156       3.9583      0.00000
    157       4.1086      0.00000
    158       4.2143      0.00000
    159       4.2702      0.00000
    160       4.2892      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2091      1.00000
      2     -22.1183      1.00000
      3     -21.9560      1.00000
      4     -21.4040      1.00000
      5     -21.0454      1.00000
      6     -21.0171      1.00000
      7     -20.4954      1.00000
      8     -20.4654      1.00000
      9     -20.2855      1.00000
     10     -20.2836      1.00000
     11     -19.9561      1.00000
     12     -19.8929      1.00000
     13     -18.8828      1.00000
     14     -18.8152      1.00000
     15     -18.3371      1.00000
     16     -18.3180      1.00000
     17     -18.1485      1.00000
     18     -18.1410      1.00000
     19     -17.8152      1.00000
     20     -17.7971      1.00000
     21     -17.2577      1.00000
     22     -17.2381      1.00000
     23     -17.1597      1.00000
     24     -17.1350      1.00000
     25     -16.1155      1.00000
     26     -15.8799      1.00000
     27     -15.8688      1.00000
     28     -15.8401      1.00000
     29     -15.2305      1.00000
     30     -14.5505      1.00000
     31     -14.5320      1.00000
     32     -14.2753      1.00000
     33     -13.9742      1.00000
     34     -13.9506      1.00000
     35     -13.8243      1.00000
     36     -13.8020      1.00000
     37     -13.6036      1.00000
     38     -13.5783      1.00000
     39     -13.3693      1.00000
     40     -12.6379      1.00000
     41     -12.1686      1.00000
     42     -12.1421      1.00000
     43     -12.0675      1.00000
     44     -12.0206      1.00000
     45     -11.6642      1.00000
     46     -11.6595      1.00000
     47     -11.1364      1.00000
     48     -11.1254      1.00000
     49     -10.7901      1.00000
     50     -10.7339      1.00000
     51     -10.5350      1.00000
     52     -10.2077      1.00000
     53     -10.2015      1.00000
     54     -10.1695      1.00000
     55     -10.0220      1.00000
     56      -9.9934      1.00000
     57      -9.9895      1.00000
     58      -9.8044      1.00000
     59      -9.7953      1.00000
     60      -9.7643      1.00000
     61      -9.7565      1.00000
     62      -9.4543      1.00000
     63      -9.4166      1.00000
     64      -9.0841      1.00000
     65      -9.0453      1.00000
     66      -9.0248      1.00000
     67      -8.9697      1.00000
     68      -8.8970      1.00000
     69      -8.7076      1.00000
     70      -8.6983      1.00000
     71      -8.5600      1.00000
     72      -8.5491      1.00000
     73      -8.4772      1.00000
     74      -8.4592      1.00000
     75      -8.4562      1.00000
     76      -8.3077      1.00000
     77      -8.0944      1.00000
     78      -8.0884      1.00000
     79      -7.9258      1.00000
     80      -7.8312      1.00000
     81      -7.6002      1.00000
     82      -7.5372      1.00000
     83      -7.4428      1.00000
     84      -7.3149      1.00000
     85      -6.9932      1.00000
     86      -6.9187      1.00000
     87      -6.8815      1.00000
     88      -6.5280      1.00000
     89      -6.5145      1.00000
     90      -6.4808      1.00000
     91      -6.4199      1.00000
     92      -5.9265      1.00000
     93      -5.9048      1.00000
     94      -5.7882      1.00000
     95      -5.7743      1.00000
     96      -5.3690      1.00000
     97      -5.3626      1.00000
     98      -5.2199      1.00000
     99      -5.2149      1.00000
    100      -5.1982      1.00000
    101      -4.7200      1.00000
    102      -4.4422      1.00000
    103      -4.1907      1.00000
    104      -3.8203      1.00000
    105      -3.5653      1.00000
    106      -3.2212      1.00000
    107      -2.5626      0.00000
    108      -1.4635      0.00000
    109      -1.2667      0.00000
    110      -1.1854      0.00000
    111      -1.1839      0.00000
    112      -0.6447      0.00000
    113      -0.5514      0.00000
    114      -0.4149      0.00000
    115      -0.3477      0.00000
    116      -0.0774      0.00000
    117      -0.0633      0.00000
    118       0.1266      0.00000
    119       0.5927      0.00000
    120       0.6271      0.00000
    121       0.8630      0.00000
    122       0.9943      0.00000
    123       1.0099      0.00000
    124       1.5005      0.00000
    125       1.6929      0.00000
    126       1.7887      0.00000
    127       1.8761      0.00000
    128       2.1189      0.00000
    129       2.1283      0.00000
    130       2.1825      0.00000
    131       2.2100      0.00000
    132       2.2514      0.00000
    133       2.3408      0.00000
    134       2.4955      0.00000
    135       2.5022      0.00000
    136       2.6773      0.00000
    137       2.8524      0.00000
    138       2.8610      0.00000
    139       2.9635      0.00000
    140       3.0185      0.00000
    141       3.0528      0.00000
    142       3.1445      0.00000
    143       3.1708      0.00000
    144       3.2518      0.00000
    145       3.2624      0.00000
    146       3.2844      0.00000
    147       3.3098      0.00000
    148       3.3619      0.00000
    149       3.4283      0.00000
    150       3.5604      0.00000
    151       3.5739      0.00000
    152       3.6570      0.00000
    153       3.6649      0.00000
    154       3.6831      0.00000
    155       3.7153      0.00000
    156       3.9051      0.00000
    157       3.9710      0.00000
    158       4.0505      0.00000
    159       4.0953      0.00000
    160       4.2019      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2826      1.00000
      2     -22.0779      1.00000
      3     -21.7196      1.00000
      4     -21.6804      1.00000
      5     -20.9822      1.00000
      6     -20.9344      1.00000
      7     -20.6108      1.00000
      8     -20.5784      1.00000
      9     -20.5650      1.00000
     10     -20.0316      1.00000
     11     -19.5128      1.00000
     12     -19.4828      1.00000
     13     -19.3108      1.00000
     14     -19.2979      1.00000
     15     -18.4490      1.00000
     16     -18.4059      1.00000
     17     -17.9270      1.00000
     18     -17.9067      1.00000
     19     -17.7653      1.00000
     20     -17.7204      1.00000
     21     -17.4411      1.00000
     22     -17.4227      1.00000
     23     -17.3376      1.00000
     24     -16.4706      1.00000
     25     -16.4602      1.00000
     26     -15.9695      1.00000
     27     -15.4104      1.00000
     28     -15.4095      1.00000
     29     -15.0955      1.00000
     30     -15.0924      1.00000
     31     -14.8526      1.00000
     32     -14.8405      1.00000
     33     -14.2971      1.00000
     34     -14.2534      1.00000
     35     -13.4436      1.00000
     36     -13.3998      1.00000
     37     -13.1746      1.00000
     38     -13.1734      1.00000
     39     -12.9846      1.00000
     40     -12.9757      1.00000
     41     -12.6103      1.00000
     42     -12.6083      1.00000
     43     -12.1960      1.00000
     44     -11.5792      1.00000
     45     -11.5380      1.00000
     46     -11.3130      1.00000
     47     -11.2827      1.00000
     48     -11.1413      1.00000
     49     -10.6921      1.00000
     50     -10.6629      1.00000
     51     -10.5464      1.00000
     52     -10.3215      1.00000
     53     -10.3138      1.00000
     54     -10.1748      1.00000
     55     -10.1212      1.00000
     56     -10.1077      1.00000
     57      -9.8107      1.00000
     58      -9.7517      1.00000
     59      -9.7513      1.00000
     60      -9.7014      1.00000
     61      -9.6976      1.00000
     62      -9.6459      1.00000
     63      -9.3520      1.00000
     64      -9.3504      1.00000
     65      -9.3179      1.00000
     66      -9.0271      1.00000
     67      -8.9609      1.00000
     68      -8.9571      1.00000
     69      -8.7745      1.00000
     70      -8.5917      1.00000
     71      -8.5876      1.00000
     72      -8.4229      1.00000
     73      -8.3488      1.00000
     74      -8.3223      1.00000
     75      -8.3016      1.00000
     76      -8.2655      1.00000
     77      -8.2542      1.00000
     78      -8.2393      1.00000
     79      -7.9207      1.00000
     80      -7.7334      1.00000
     81      -7.3788      1.00000
     82      -7.3494      1.00000
     83      -7.3240      1.00000
     84      -7.2167      1.00000
     85      -7.1597      1.00000
     86      -7.0644      1.00000
     87      -6.9601      1.00000
     88      -6.9044      1.00000
     89      -6.6138      1.00000
     90      -6.5559      1.00000
     91      -6.2715      1.00000
     92      -5.9961      1.00000
     93      -5.9588      1.00000
     94      -5.6747      1.00000
     95      -5.6481      1.00000
     96      -5.3870      1.00000
     97      -5.3146      1.00000
     98      -5.2934      1.00000
     99      -5.2114      1.00000
    100      -5.1999      1.00000
    101      -4.5114      1.00000
    102      -4.3386      1.00000
    103      -3.9963      1.00000
    104      -3.8856      1.00000
    105      -3.7927      1.00000
    106      -3.4431      1.00000
    107      -2.0346      0.00000
    108      -1.8635      0.00000
    109      -1.2178      0.00000
    110      -1.1836      0.00000
    111      -1.0360      0.00000
    112      -0.7724      0.00000
    113      -0.6772      0.00000
    114      -0.6602      0.00000
    115      -0.6096      0.00000
    116      -0.1009      0.00000
    117       0.2223      0.00000
    118       0.2404      0.00000
    119       0.7783      0.00000
    120       0.9912      0.00000
    121       1.0753      0.00000
    122       1.2430      0.00000
    123       1.2527      0.00000
    124       1.3482      0.00000
    125       1.5822      0.00000
    126       1.5850      0.00000
    127       1.7191      0.00000
    128       1.7999      0.00000
    129       1.9581      0.00000
    130       1.9819      0.00000
    131       2.0625      0.00000
    132       2.2717      0.00000
    133       2.3422      0.00000
    134       2.4285      0.00000
    135       2.5564      0.00000
    136       2.6355      0.00000
    137       2.7409      0.00000
    138       2.8077      0.00000
    139       2.8533      0.00000
    140       2.8753      0.00000
    141       3.0550      0.00000
    142       3.1105      0.00000
    143       3.1683      0.00000
    144       3.2308      0.00000
    145       3.3781      0.00000
    146       3.4199      0.00000
    147       3.5163      0.00000
    148       3.5649      0.00000
    149       3.5929      0.00000
    150       3.6161      0.00000
    151       3.6601      0.00000
    152       3.7429      0.00000
    153       3.7553      0.00000
    154       3.7715      0.00000
    155       3.7924      0.00000
    156       3.8781      0.00000
    157       4.0239      0.00000
    158       4.0988      0.00000
    159       4.1808      0.00000
    160       4.2244      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4257      1.00000
      2     -21.6026      1.00000
      3     -21.4808      1.00000
      4     -21.4717      1.00000
      5     -21.4401      1.00000
      6     -21.4394      1.00000
      7     -21.4292      1.00000
      8     -19.7069      1.00000
      9     -19.6520      1.00000
     10     -19.6289      1.00000
     11     -19.6176      1.00000
     12     -19.6124      1.00000
     13     -19.6114      1.00000
     14     -18.7892      1.00000
     15     -18.7540      1.00000
     16     -18.7343      1.00000
     17     -18.7249      1.00000
     18     -18.7175      1.00000
     19     -18.7122      1.00000
     20     -16.6346      1.00000
     21     -16.6086      1.00000
     22     -16.5842      1.00000
     23     -16.5808      1.00000
     24     -16.5538      1.00000
     25     -16.5521      1.00000
     26     -15.6136      1.00000
     27     -15.6014      1.00000
     28     -15.5982      1.00000
     29     -15.5642      1.00000
     30     -15.5623      1.00000
     31     -15.5609      1.00000
     32     -14.2591      1.00000
     33     -14.2501      1.00000
     34     -14.2401      1.00000
     35     -14.2351      1.00000
     36     -14.2218      1.00000
     37     -14.2187      1.00000
     38     -11.9052      1.00000
     39     -11.8785      1.00000
     40     -11.8674      1.00000
     41     -11.8653      1.00000
     42     -11.8445      1.00000
     43     -11.8443      1.00000
     44     -11.7703      1.00000
     45     -11.7680      1.00000
     46     -11.7348      1.00000
     47     -11.7283      1.00000
     48     -11.7246      1.00000
     49     -11.7214      1.00000
     50     -10.6753      1.00000
     51     -10.3879      1.00000
     52     -10.3831      1.00000
     53     -10.3762      1.00000
     54     -10.3678      1.00000
     55     -10.3550      1.00000
     56     -10.3529      1.00000
     57      -9.9033      1.00000
     58      -9.4496      1.00000
     59      -9.4046      1.00000
     60      -9.3616      1.00000
     61      -9.3610      1.00000
     62      -9.3531      1.00000
     63      -9.1415      1.00000
     64      -9.1219      1.00000
     65      -9.1205      1.00000
     66      -9.0845      1.00000
     67      -9.0709      1.00000
     68      -9.0704      1.00000
     69      -9.0702      1.00000
     70      -9.0641      1.00000
     71      -9.0634      1.00000
     72      -9.0384      1.00000
     73      -9.0284      1.00000
     74      -9.0252      1.00000
     75      -8.1294      1.00000
     76      -7.7461      1.00000
     77      -7.4686      1.00000
     78      -7.4657      1.00000
     79      -7.4537      1.00000
     80      -7.4337      1.00000
     81      -7.4238      1.00000
     82      -7.4062      1.00000
     83      -7.3121      1.00000
     84      -7.2702      1.00000
     85      -7.2565      1.00000
     86      -7.2481      1.00000
     87      -7.1497      1.00000
     88      -7.0492      1.00000
     89      -6.4455      1.00000
     90      -6.4153      1.00000
     91      -6.3998      1.00000
     92      -6.3629      1.00000
     93      -6.3522      1.00000
     94      -6.3401      1.00000
     95      -5.9588      1.00000
     96      -5.9575      1.00000
     97      -4.8063      1.00000
     98      -4.5441      1.00000
     99      -4.4812      1.00000
    100      -4.4740      1.00000
    101      -4.3819      1.00000
    102      -4.3812      1.00000
    103      -4.2675      1.00000
    104      -4.1870      1.00000
    105      -3.7391      1.00000
    106      -3.4774      1.00000
    107      -1.8621      0.00000
    108      -1.6702      0.00000
    109      -1.6240      0.00000
    110      -1.5916      0.00000
    111      -1.5757      0.00000
    112      -1.5750      0.00000
    113      -0.4284      0.00000
    114       0.1462      0.00000
    115       0.1916      0.00000
    116       0.2553      0.00000
    117       0.2676      0.00000
    118       0.2710      0.00000
    119       0.4775      0.00000
    120       0.5568      0.00000
    121       1.2587      0.00000
    122       1.2925      0.00000
    123       1.5506      0.00000
    124       1.7770      0.00000
    125       1.7794      0.00000
    126       1.7826      0.00000
    127       1.7831      0.00000
    128       1.8322      0.00000
    129       1.9579      0.00000
    130       1.9717      0.00000
    131       1.9740      0.00000
    132       1.9884      0.00000
    133       1.9958      0.00000
    134       2.0873      0.00000
    135       2.2652      0.00000
    136       2.3446      0.00000
    137       2.6328      0.00000
    138       2.6333      0.00000
    139       2.6638      0.00000
    140       2.7258      0.00000
    141       2.9461      0.00000
    142       3.0308      0.00000
    143       3.0384      0.00000
    144       3.0704      0.00000
    145       3.0716      0.00000
    146       3.0756      0.00000
    147       3.0973      0.00000
    148       3.2875      0.00000
    149       3.4536      0.00000
    150       3.5206      0.00000
    151       3.8259      0.00000
    152       3.9624      0.00000
    153       3.9747      0.00000
    154       3.9766      0.00000
    155       3.9830      0.00000
    156       4.0040      0.00000
    157       4.1911      0.00000
    158       4.2668      0.00000
    159       4.2761      0.00000
    160       4.2885      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3890      1.00000
      2     -21.8299      1.00000
      3     -21.6376      1.00000
      4     -21.6098      1.00000
      5     -21.2741      1.00000
      6     -21.2346      1.00000
      7     -21.0563      1.00000
      8     -20.1671      1.00000
      9     -20.1289      1.00000
     10     -19.6079      1.00000
     11     -19.5969      1.00000
     12     -19.4166      1.00000
     13     -19.0891      1.00000
     14     -19.0593      1.00000
     15     -19.0484      1.00000
     16     -19.0409      1.00000
     17     -18.3601      1.00000
     18     -18.3517      1.00000
     19     -18.0186      1.00000
     20     -17.0688      1.00000
     21     -17.0300      1.00000
     22     -16.9436      1.00000
     23     -16.9394      1.00000
     24     -16.4675      1.00000
     25     -16.4627      1.00000
     26     -15.6132      1.00000
     27     -15.6068      1.00000
     28     -15.2519      1.00000
     29     -15.2432      1.00000
     30     -15.1843      1.00000
     31     -15.0975      1.00000
     32     -15.0707      1.00000
     33     -14.6978      1.00000
     34     -14.6960      1.00000
     35     -13.7259      1.00000
     36     -13.7234      1.00000
     37     -13.2355      1.00000
     38     -12.6140      1.00000
     39     -12.5838      1.00000
     40     -12.4537      1.00000
     41     -12.4500      1.00000
     42     -12.1089      1.00000
     43     -12.1042      1.00000
     44     -11.7165      1.00000
     45     -11.6855      1.00000
     46     -11.2346      1.00000
     47     -11.2258      1.00000
     48     -11.0173      1.00000
     49     -11.0093      1.00000
     50     -10.9259      1.00000
     51     -10.9045      1.00000
     52     -10.6303      1.00000
     53     -10.1548      1.00000
     54     -10.1502      1.00000
     55     -10.0917      1.00000
     56      -9.9978      1.00000
     57      -9.7020      1.00000
     58      -9.6948      1.00000
     59      -9.6551      1.00000
     60      -9.5913      1.00000
     61      -9.5761      1.00000
     62      -9.5582      1.00000
     63      -9.3069      1.00000
     64      -9.3028      1.00000
     65      -9.2733      1.00000
     66      -9.2358      1.00000
     67      -9.1359      1.00000
     68      -9.1152      1.00000
     69      -9.1105      1.00000
     70      -8.9389      1.00000
     71      -8.8714      1.00000
     72      -8.6041      1.00000
     73      -8.5904      1.00000
     74      -8.2359      1.00000
     75      -8.1006      1.00000
     76      -7.9128      1.00000
     77      -7.8631      1.00000
     78      -7.7715      1.00000
     79      -7.7565      1.00000
     80      -7.6915      1.00000
     81      -7.5605      1.00000
     82      -7.3388      1.00000
     83      -7.3226      1.00000
     84      -7.2036      1.00000
     85      -7.1230      1.00000
     86      -7.0315      1.00000
     87      -7.0117      1.00000
     88      -6.7038      1.00000
     89      -6.6774      1.00000
     90      -6.6405      1.00000
     91      -6.5972      1.00000
     92      -6.1161      1.00000
     93      -6.0617      1.00000
     94      -6.0306      1.00000
     95      -6.0108      1.00000
     96      -5.7828      1.00000
     97      -4.9742      1.00000
     98      -4.8317      1.00000
     99      -4.7466      1.00000
    100      -4.6790      1.00000
    101      -4.4686      1.00000
    102      -4.2034      1.00000
    103      -4.1716      1.00000
    104      -4.1276      1.00000
    105      -3.7294      1.00000
    106      -3.4876      1.00000
    107      -1.8704      0.00000
    108      -1.8086      0.00000
    109      -1.5246      0.00000
    110      -1.3773      0.00000
    111      -1.3215      0.00000
    112      -1.2882      0.00000
    113      -0.7201      0.00000
    114      -0.3760      0.00000
    115      -0.2497      0.00000
    116       0.0376      0.00000
    117       0.5627      0.00000
    118       0.6999      0.00000
    119       0.7466      0.00000
    120       1.0492      0.00000
    121       1.0995      0.00000
    122       1.1538      0.00000
    123       1.2288      0.00000
    124       1.3858      0.00000
    125       1.5313      0.00000
    126       1.5985      0.00000
    127       1.7199      0.00000
    128       1.8021      0.00000
    129       1.8570      0.00000
    130       1.8828      0.00000
    131       2.1003      0.00000
    132       2.2000      0.00000
    133       2.2475      0.00000
    134       2.3200      0.00000
    135       2.5246      0.00000
    136       2.6063      0.00000
    137       2.6204      0.00000
    138       2.7861      0.00000
    139       2.7976      0.00000
    140       2.8253      0.00000
    141       2.8360      0.00000
    142       2.9050      0.00000
    143       2.9356      0.00000
    144       3.1011      0.00000
    145       3.1675      0.00000
    146       3.3245      0.00000
    147       3.3604      0.00000
    148       3.4090      0.00000
    149       3.4762      0.00000
    150       3.6134      0.00000
    151       3.6466      0.00000
    152       3.6726      0.00000
    153       3.7195      0.00000
    154       3.9244      0.00000
    155       3.9662      0.00000
    156       4.0254      0.00000
    157       4.0709      0.00000
    158       4.2511      0.00000
    159       4.2609      0.00000
    160       4.2833      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2830      1.00000
      2     -22.0774      1.00000
      3     -21.7160      1.00000
      4     -21.6842      1.00000
      5     -20.9789      1.00000
      6     -20.9382      1.00000
      7     -20.6113      1.00000
      8     -20.5746      1.00000
      9     -20.5683      1.00000
     10     -20.0321      1.00000
     11     -19.5027      1.00000
     12     -19.4911      1.00000
     13     -19.3062      1.00000
     14     -19.3010      1.00000
     15     -18.4472      1.00000
     16     -18.4105      1.00000
     17     -17.9218      1.00000
     18     -17.9124      1.00000
     19     -17.7611      1.00000
     20     -17.7254      1.00000
     21     -17.4354      1.00000
     22     -17.4280      1.00000
     23     -17.3405      1.00000
     24     -16.4623      1.00000
     25     -16.4611      1.00000
     26     -15.9665      1.00000
     27     -15.4134      1.00000
     28     -15.4084      1.00000
     29     -15.0957      1.00000
     30     -15.0927      1.00000
     31     -14.8546      1.00000
     32     -14.8471      1.00000
     33     -14.2899      1.00000
     34     -14.2572      1.00000
     35     -13.4364      1.00000
     36     -13.4039      1.00000
     37     -13.1770      1.00000
     38     -13.1736      1.00000
     39     -12.9811      1.00000
     40     -12.9762      1.00000
     41     -12.6127      1.00000
     42     -12.6093      1.00000
     43     -12.1975      1.00000
     44     -11.5757      1.00000
     45     -11.5419      1.00000
     46     -11.3098      1.00000
     47     -11.2870      1.00000
     48     -11.1419      1.00000
     49     -10.6759      1.00000
     50     -10.6602      1.00000
     51     -10.5524      1.00000
     52     -10.3233      1.00000
     53     -10.3170      1.00000
     54     -10.1685      1.00000
     55     -10.1152      1.00000
     56     -10.1121      1.00000
     57      -9.7974      1.00000
     58      -9.7649      1.00000
     59      -9.7512      1.00000
     60      -9.6992      1.00000
     61      -9.6969      1.00000
     62      -9.6612      1.00000
     63      -9.3545      1.00000
     64      -9.3506      1.00000
     65      -9.3147      1.00000
     66      -9.0404      1.00000
     67      -8.9621      1.00000
     68      -8.9488      1.00000
     69      -8.7987      1.00000
     70      -8.5941      1.00000
     71      -8.5570      1.00000
     72      -8.3977      1.00000
     73      -8.3642      1.00000
     74      -8.3241      1.00000
     75      -8.3066      1.00000
     76      -8.2586      1.00000
     77      -8.2567      1.00000
     78      -8.2356      1.00000
     79      -7.9041      1.00000
     80      -7.6508      1.00000
     81      -7.5493      1.00000
     82      -7.3864      1.00000
     83      -7.3493      1.00000
     84      -7.2310      1.00000
     85      -7.0957      1.00000
     86      -7.0382      1.00000
     87      -6.9332      1.00000
     88      -6.8478      1.00000
     89      -6.6120      1.00000
     90      -6.5589      1.00000
     91      -6.2692      1.00000
     92      -6.0433      1.00000
     93      -5.9510      1.00000
     94      -5.6622      1.00000
     95      -5.6221      1.00000
     96      -5.4628      1.00000
     97      -5.3195      1.00000
     98      -5.2783      1.00000
     99      -5.2134      1.00000
    100      -5.1933      1.00000
    101      -4.5084      1.00000
    102      -4.2075      1.00000
    103      -4.0590      1.00000
    104      -3.9889      1.00000
    105      -3.6941      1.00000
    106      -3.4979      1.00000
    107      -1.9463      0.00000
    108      -1.8961      0.00000
    109      -1.3392      0.00000
    110      -1.0850      0.00000
    111      -1.0579      0.00000
    112      -0.8004      0.00000
    113      -0.6773      0.00000
    114      -0.6470      0.00000
    115      -0.6075      0.00000
    116      -0.1075      0.00000
    117       0.2151      0.00000
    118       0.3295      0.00000
    119       0.7017      0.00000
    120       0.8942      0.00000
    121       1.1291      0.00000
    122       1.1994      0.00000
    123       1.3338      0.00000
    124       1.4297      0.00000
    125       1.5570      0.00000
    126       1.5776      0.00000
    127       1.6940      0.00000
    128       1.8113      0.00000
    129       1.8901      0.00000
    130       2.0631      0.00000
    131       2.1110      0.00000
    132       2.3093      0.00000
    133       2.3546      0.00000
    134       2.4104      0.00000
    135       2.5627      0.00000
    136       2.6371      0.00000
    137       2.7325      0.00000
    138       2.7395      0.00000
    139       2.8053      0.00000
    140       2.8899      0.00000
    141       3.0565      0.00000
    142       3.0667      0.00000
    143       3.1777      0.00000
    144       3.2739      0.00000
    145       3.3688      0.00000
    146       3.4244      0.00000
    147       3.4453      0.00000
    148       3.5703      0.00000
    149       3.5890      0.00000
    150       3.6127      0.00000
    151       3.6634      0.00000
    152       3.6835      0.00000
    153       3.7763      0.00000
    154       3.7859      0.00000
    155       3.8111      0.00000
    156       3.8955      0.00000
    157       3.9345      0.00000
    158       3.9986      0.00000
    159       4.2232      0.00000
    160       4.2313      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3170      1.00000
      2     -21.9623      1.00000
      3     -21.8931      1.00000
      4     -21.3804      1.00000
      5     -21.3511      1.00000
      6     -20.8392      1.00000
      7     -20.7739      1.00000
      8     -20.6236      1.00000
      9     -20.0770      1.00000
     10     -20.0713      1.00000
     11     -19.7163      1.00000
     12     -19.6918      1.00000
     13     -18.9959      1.00000
     14     -18.9900      1.00000
     15     -18.6401      1.00000
     16     -18.6241      1.00000
     17     -18.4618      1.00000
     18     -17.6750      1.00000
     19     -17.6245      1.00000
     20     -17.6217      1.00000
     21     -17.5799      1.00000
     22     -17.1261      1.00000
     23     -17.1045      1.00000
     24     -16.9616      1.00000
     25     -16.0013      1.00000
     26     -15.9286      1.00000
     27     -15.5853      1.00000
     28     -15.5850      1.00000
     29     -15.2863      1.00000
     30     -14.8637      1.00000
     31     -14.8364      1.00000
     32     -14.5788      1.00000
     33     -14.5369      1.00000
     34     -14.1679      1.00000
     35     -14.1543      1.00000
     36     -13.1479      1.00000
     37     -13.1001      1.00000
     38     -13.0295      1.00000
     39     -13.0194      1.00000
     40     -12.7088      1.00000
     41     -12.7047      1.00000
     42     -12.3407      1.00000
     43     -12.3095      1.00000
     44     -11.6353      1.00000
     45     -11.6217      1.00000
     46     -11.5712      1.00000
     47     -10.9488      1.00000
     48     -10.9157      1.00000
     49     -10.6322      1.00000
     50     -10.6245      1.00000
     51     -10.5469      1.00000
     52     -10.4989      1.00000
     53     -10.4987      1.00000
     54     -10.4397      1.00000
     55     -10.3604      1.00000
     56     -10.0987      1.00000
     57      -9.9027      1.00000
     58      -9.6086      1.00000
     59      -9.5563      1.00000
     60      -9.4518      1.00000
     61      -9.4114      1.00000
     62      -9.4047      1.00000
     63      -9.3771      1.00000
     64      -9.3769      1.00000
     65      -9.2866      1.00000
     66      -9.1680      1.00000
     67      -9.1426      1.00000
     68      -9.1140      1.00000
     69      -8.8641      1.00000
     70      -8.8565      1.00000
     71      -8.8146      1.00000
     72      -8.5962      1.00000
     73      -8.4793      1.00000
     74      -8.1981      1.00000
     75      -8.1627      1.00000
     76      -8.0083      1.00000
     77      -7.9635      1.00000
     78      -7.8508      1.00000
     79      -7.8406      1.00000
     80      -7.7041      1.00000
     81      -7.6970      1.00000
     82      -7.6214      1.00000
     83      -7.4485      1.00000
     84      -7.2999      1.00000
     85      -7.2531      1.00000
     86      -6.9060      1.00000
     87      -6.8922      1.00000
     88      -6.5881      1.00000
     89      -6.5507      1.00000
     90      -6.4068      1.00000
     91      -6.2528      1.00000
     92      -6.2323      1.00000
     93      -6.2046      1.00000
     94      -6.0225      1.00000
     95      -5.5496      1.00000
     96      -5.4884      1.00000
     97      -5.3499      1.00000
     98      -5.2192      1.00000
     99      -4.9790      1.00000
    100      -4.7322      1.00000
    101      -4.6776      1.00000
    102      -4.3872      1.00000
    103      -4.2029      1.00000
    104      -3.8709      1.00000
    105      -3.5461      1.00000
    106      -3.5099      1.00000
    107      -2.2560      0.00000
    108      -1.4568      0.00000
    109      -1.3709      0.00000
    110      -1.2418      0.00000
    111      -1.0981      0.00000
    112      -0.9453      0.00000
    113      -0.8639      0.00000
    114      -0.8035      0.00000
    115      -0.1386      0.00000
    116       0.1114      0.00000
    117       0.2408      0.00000
    118       0.3777      0.00000
    119       0.6597      0.00000
    120       0.8364      0.00000
    121       0.9365      0.00000
    122       1.0699      0.00000
    123       1.2419      0.00000
    124       1.4535      0.00000
    125       1.5682      0.00000
    126       1.7662      0.00000
    127       1.7933      0.00000
    128       1.8679      0.00000
    129       1.9870      0.00000
    130       2.0455      0.00000
    131       2.1883      0.00000
    132       2.1914      0.00000
    133       2.4233      0.00000
    134       2.4330      0.00000
    135       2.5093      0.00000
    136       2.6043      0.00000
    137       2.6347      0.00000
    138       2.7052      0.00000
    139       2.7886      0.00000
    140       2.8496      0.00000
    141       2.9651      0.00000
    142       3.0939      0.00000
    143       3.1883      0.00000
    144       3.2122      0.00000
    145       3.2418      0.00000
    146       3.3323      0.00000
    147       3.3412      0.00000
    148       3.4751      0.00000
    149       3.5162      0.00000
    150       3.6994      0.00000
    151       3.7216      0.00000
    152       3.7307      0.00000
    153       3.8664      0.00000
    154       3.9095      0.00000
    155       3.9584      0.00000
    156       3.9821      0.00000
    157       3.9998      0.00000
    158       4.0364      0.00000
    159       4.0587      0.00000
    160       4.0703      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2100      1.00000
      2     -22.1170      1.00000
      3     -21.9562      1.00000
      4     -21.4039      1.00000
      5     -21.0493      1.00000
      6     -21.0133      1.00000
      7     -20.5002      1.00000
      8     -20.4607      1.00000
      9     -20.2945      1.00000
     10     -20.2751      1.00000
     11     -19.9570      1.00000
     12     -19.8913      1.00000
     13     -18.8820      1.00000
     14     -18.8133      1.00000
     15     -18.3525      1.00000
     16     -18.3063      1.00000
     17     -18.1527      1.00000
     18     -18.1354      1.00000
     19     -17.8264      1.00000
     20     -17.7888      1.00000
     21     -17.2515      1.00000
     22     -17.2413      1.00000
     23     -17.1646      1.00000
     24     -17.1324      1.00000
     25     -16.1096      1.00000
     26     -15.8848      1.00000
     27     -15.8697      1.00000
     28     -15.8339      1.00000
     29     -15.2363      1.00000
     30     -14.5547      1.00000
     31     -14.5268      1.00000
     32     -14.2800      1.00000
     33     -13.9637      1.00000
     34     -13.9561      1.00000
     35     -13.8202      1.00000
     36     -13.8044      1.00000
     37     -13.6143      1.00000
     38     -13.5705      1.00000
     39     -13.3693      1.00000
     40     -12.6340      1.00000
     41     -12.1807      1.00000
     42     -12.1327      1.00000
     43     -12.0715      1.00000
     44     -12.0192      1.00000
     45     -11.6696      1.00000
     46     -11.6561      1.00000
     47     -11.1387      1.00000
     48     -11.1181      1.00000
     49     -10.7941      1.00000
     50     -10.7305      1.00000
     51     -10.5282      1.00000
     52     -10.2088      1.00000
     53     -10.2051      1.00000
     54     -10.1638      1.00000
     55     -10.0176      1.00000
     56     -10.0036      1.00000
     57      -9.9902      1.00000
     58      -9.8010      1.00000
     59      -9.7974      1.00000
     60      -9.7622      1.00000
     61      -9.7575      1.00000
     62      -9.4540      1.00000
     63      -9.4167      1.00000
     64      -9.0799      1.00000
     65      -9.0725      1.00000
     66      -9.0404      1.00000
     67      -8.9551      1.00000
     68      -8.8765      1.00000
     69      -8.7120      1.00000
     70      -8.6998      1.00000
     71      -8.5654      1.00000
     72      -8.5425      1.00000
     73      -8.4987      1.00000
     74      -8.4627      1.00000
     75      -8.4527      1.00000
     76      -8.2597      1.00000
     77      -8.1249      1.00000
     78      -8.0427      1.00000
     79      -7.9157      1.00000
     80      -7.8627      1.00000
     81      -7.6143      1.00000
     82      -7.5482      1.00000
     83      -7.4894      1.00000
     84      -7.2683      1.00000
     85      -6.9956      1.00000
     86      -6.9232      1.00000
     87      -6.8822      1.00000
     88      -6.5321      1.00000
     89      -6.4867      1.00000
     90      -6.4607      1.00000
     91      -6.4096      1.00000
     92      -5.9834      1.00000
     93      -5.8970      1.00000
     94      -5.7840      1.00000
     95      -5.7590      1.00000
     96      -5.4317      1.00000
     97      -5.3289      1.00000
     98      -5.2297      1.00000
     99      -5.2173      1.00000
    100      -5.1879      1.00000
    101      -4.6918      1.00000
    102      -4.4213      1.00000
    103      -4.2094      1.00000
    104      -3.8340      1.00000
    105      -3.5290      1.00000
    106      -3.2740      1.00000
    107      -2.5310      0.00000
    108      -1.4583      0.00000
    109      -1.2665      0.00000
    110      -1.2029      0.00000
    111      -1.1724      0.00000
    112      -0.7197      0.00000
    113      -0.5037      0.00000
    114      -0.4121      0.00000
    115      -0.3395      0.00000
    116      -0.1460      0.00000
    117      -0.0032      0.00000
    118       0.1945      0.00000
    119       0.5620      0.00000
    120       0.6125      0.00000
    121       0.8029      0.00000
    122       0.9149      0.00000
    123       1.1409      0.00000
    124       1.5053      0.00000
    125       1.6441      0.00000
    126       1.8727      0.00000
    127       1.9382      0.00000
    128       2.1155      0.00000
    129       2.1226      0.00000
    130       2.1302      0.00000
    131       2.1742      0.00000
    132       2.2798      0.00000
    133       2.3253      0.00000
    134       2.4586      0.00000
    135       2.5793      0.00000
    136       2.6663      0.00000
    137       2.8615      0.00000
    138       2.8727      0.00000
    139       2.9026      0.00000
    140       3.0299      0.00000
    141       3.0372      0.00000
    142       3.1509      0.00000
    143       3.1601      0.00000
    144       3.2395      0.00000
    145       3.2808      0.00000
    146       3.2904      0.00000
    147       3.3071      0.00000
    148       3.3531      0.00000
    149       3.4345      0.00000
    150       3.4535      0.00000
    151       3.5628      0.00000
    152       3.6264      0.00000
    153       3.6842      0.00000
    154       3.7166      0.00000
    155       3.7861      0.00000
    156       3.9022      0.00000
    157       3.9521      0.00000
    158       4.0163      0.00000
    159       4.1512      0.00000
    160       4.2389      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3168      1.00000
      2     -21.9638      1.00000
      3     -21.8916      1.00000
      4     -21.3841      1.00000
      5     -21.3476      1.00000
      6     -20.8389      1.00000
      7     -20.7725      1.00000
      8     -20.6244      1.00000
      9     -20.0891      1.00000
     10     -20.0603      1.00000
     11     -19.7179      1.00000
     12     -19.6891      1.00000
     13     -19.0093      1.00000
     14     -18.9782      1.00000
     15     -18.6494      1.00000
     16     -18.6166      1.00000
     17     -18.4601      1.00000
     18     -17.6600      1.00000
     19     -17.6463      1.00000
     20     -17.6101      1.00000
     21     -17.5775      1.00000
     22     -17.1369      1.00000
     23     -17.0969      1.00000
     24     -16.9655      1.00000
     25     -16.0079      1.00000
     26     -15.9225      1.00000
     27     -15.5983      1.00000
     28     -15.5748      1.00000
     29     -15.2794      1.00000
     30     -14.8762      1.00000
     31     -14.8292      1.00000
     32     -14.5742      1.00000
     33     -14.5365      1.00000
     34     -14.1636      1.00000
     35     -14.1594      1.00000
     36     -13.1618      1.00000
     37     -13.0953      1.00000
     38     -13.0226      1.00000
     39     -13.0181      1.00000
     40     -12.7175      1.00000
     41     -12.6942      1.00000
     42     -12.3401      1.00000
     43     -12.3130      1.00000
     44     -11.6314      1.00000
     45     -11.6222      1.00000
     46     -11.5696      1.00000
     47     -10.9403      1.00000
     48     -10.9224      1.00000
     49     -10.6686      1.00000
     50     -10.5893      1.00000
     51     -10.5726      1.00000
     52     -10.5005      1.00000
     53     -10.4885      1.00000
     54     -10.4386      1.00000
     55     -10.3555      1.00000
     56     -10.1030      1.00000
     57      -9.8969      1.00000
     58      -9.6080      1.00000
     59      -9.5508      1.00000
     60      -9.4536      1.00000
     61      -9.4179      1.00000
     62      -9.4088      1.00000
     63      -9.3788      1.00000
     64      -9.3716      1.00000
     65      -9.2668      1.00000
     66      -9.1651      1.00000
     67      -9.1411      1.00000
     68      -9.1153      1.00000
     69      -8.8657      1.00000
     70      -8.8597      1.00000
     71      -8.8017      1.00000
     72      -8.5957      1.00000
     73      -8.5261      1.00000
     74      -8.1929      1.00000
     75      -8.1701      1.00000
     76      -8.0752      1.00000
     77      -7.8572      1.00000
     78      -7.8365      1.00000
     79      -7.8233      1.00000
     80      -7.7102      1.00000
     81      -7.6958      1.00000
     82      -7.5967      1.00000
     83      -7.5299      1.00000
     84      -7.3497      1.00000
     85      -7.1677      1.00000
     86      -6.9050      1.00000
     87      -6.8955      1.00000
     88      -6.5919      1.00000
     89      -6.5508      1.00000
     90      -6.4056      1.00000
     91      -6.3017      1.00000
     92      -6.2469      1.00000
     93      -6.2010      1.00000
     94      -6.0034      1.00000
     95      -5.5314      1.00000
     96      -5.4648      1.00000
     97      -5.3137      1.00000
     98      -5.2090      1.00000
     99      -5.0466      1.00000
    100      -4.7232      1.00000
    101      -4.6712      1.00000
    102      -4.4237      1.00000
    103      -4.1946      1.00000
    104      -3.8427      1.00000
    105      -3.6343      1.00000
    106      -3.4160      1.00000
    107      -2.2925      0.00000
    108      -1.5096      0.00000
    109      -1.2701      0.00000
    110      -1.2624      0.00000
    111      -1.0345      0.00000
    112      -0.9774      0.00000
    113      -0.8681      0.00000
    114      -0.7998      0.00000
    115      -0.2611      0.00000
    116       0.2040      0.00000
    117       0.2392      0.00000
    118       0.3608      0.00000
    119       0.6982      0.00000
    120       0.8946      0.00000
    121       0.9245      0.00000
    122       1.0464      0.00000
    123       1.1744      0.00000
    124       1.5162      0.00000
    125       1.5755      0.00000
    126       1.7171      0.00000
    127       1.7796      0.00000
    128       1.8317      0.00000
    129       1.9573      0.00000
    130       2.0025      0.00000
    131       2.1777      0.00000
    132       2.2790      0.00000
    133       2.4279      0.00000
    134       2.4397      0.00000
    135       2.5052      0.00000
    136       2.6018      0.00000
    137       2.6184      0.00000
    138       2.7095      0.00000
    139       2.7670      0.00000
    140       2.8781      0.00000
    141       3.0472      0.00000
    142       3.0925      0.00000
    143       3.1838      0.00000
    144       3.2364      0.00000
    145       3.2440      0.00000
    146       3.3059      0.00000
    147       3.3671      0.00000
    148       3.4617      0.00000
    149       3.5349      0.00000
    150       3.6994      0.00000
    151       3.7191      0.00000
    152       3.7553      0.00000
    153       3.8361      0.00000
    154       3.8920      0.00000
    155       3.9441      0.00000
    156       3.9851      0.00000
    157       4.0057      0.00000
    158       4.0265      0.00000
    159       4.0474      0.00000
    160       4.0833      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3889      1.00000
      2     -21.8302      1.00000
      3     -21.6408      1.00000
      4     -21.6058      1.00000
      5     -21.2782      1.00000
      6     -21.2312      1.00000
      7     -21.0558      1.00000
      8     -20.1709      1.00000
      9     -20.1247      1.00000
     10     -19.6163      1.00000
     11     -19.5903      1.00000
     12     -19.4150      1.00000
     13     -19.0940      1.00000
     14     -19.0554      1.00000
     15     -19.0510      1.00000
     16     -19.0382      1.00000
     17     -18.3662      1.00000
     18     -18.3466      1.00000
     19     -18.0160      1.00000
     20     -17.0718      1.00000
     21     -17.0230      1.00000
     22     -16.9492      1.00000
     23     -16.9354      1.00000
     24     -16.4745      1.00000
     25     -16.4625      1.00000
     26     -15.6090      1.00000
     27     -15.6084      1.00000
     28     -15.2493      1.00000
     29     -15.2373      1.00000
     30     -15.1907      1.00000
     31     -15.1006      1.00000
     32     -15.0677      1.00000
     33     -14.6978      1.00000
     34     -14.6970      1.00000
     35     -13.7246      1.00000
     36     -13.7245      1.00000
     37     -13.2345      1.00000
     38     -12.6237      1.00000
     39     -12.5796      1.00000
     40     -12.4539      1.00000
     41     -12.4486      1.00000
     42     -12.1047      1.00000
     43     -12.0999      1.00000
     44     -11.7213      1.00000
     45     -11.6826      1.00000
     46     -11.2450      1.00000
     47     -11.2244      1.00000
     48     -11.0168      1.00000
     49     -11.0052      1.00000
     50     -10.9273      1.00000
     51     -10.8986      1.00000
     52     -10.6363      1.00000
     53     -10.1717      1.00000
     54     -10.1486      1.00000
     55     -10.0841      1.00000
     56      -9.9913      1.00000
     57      -9.6957      1.00000
     58      -9.6891      1.00000
     59      -9.6696      1.00000
     60      -9.5911      1.00000
     61      -9.5672      1.00000
     62      -9.5530      1.00000
     63      -9.3120      1.00000
     64      -9.2993      1.00000
     65      -9.2825      1.00000
     66      -9.2429      1.00000
     67      -9.1214      1.00000
     68      -9.1119      1.00000
     69      -9.1101      1.00000
     70      -8.9387      1.00000
     71      -8.8752      1.00000
     72      -8.6049      1.00000
     73      -8.5861      1.00000
     74      -8.2705      1.00000
     75      -8.1007      1.00000
     76      -7.8677      1.00000
     77      -7.8428      1.00000
     78      -7.7901      1.00000
     79      -7.7642      1.00000
     80      -7.7551      1.00000
     81      -7.4474      1.00000
     82      -7.3341      1.00000
     83      -7.3226      1.00000
     84      -7.2655      1.00000
     85      -7.1618      1.00000
     86      -7.0152      1.00000
     87      -6.9860      1.00000
     88      -6.7171      1.00000
     89      -6.6898      1.00000
     90      -6.6310      1.00000
     91      -6.5900      1.00000
     92      -6.1169      1.00000
     93      -6.0588      1.00000
     94      -6.0440      1.00000
     95      -6.0286      1.00000
     96      -5.7474      1.00000
     97      -4.9745      1.00000
     98      -4.8392      1.00000
     99      -4.7086      1.00000
    100      -4.6730      1.00000
    101      -4.4835      1.00000
    102      -4.3521      1.00000
    103      -4.1116      1.00000
    104      -4.0553      1.00000
    105      -3.7548      1.00000
    106      -3.4653      1.00000
    107      -1.9507      0.00000
    108      -1.7713      0.00000
    109      -1.4798      0.00000
    110      -1.3557      0.00000
    111      -1.3358      0.00000
    112      -1.2924      0.00000
    113      -0.6782      0.00000
    114      -0.4718      0.00000
    115      -0.2358      0.00000
    116       0.0522      0.00000
    117       0.5960      0.00000
    118       0.6920      0.00000
    119       0.7700      0.00000
    120       1.0238      0.00000
    121       1.0966      0.00000
    122       1.1797      0.00000
    123       1.2531      0.00000
    124       1.3413      0.00000
    125       1.4442      0.00000
    126       1.6145      0.00000
    127       1.7541      0.00000
    128       1.8460      0.00000
    129       1.8569      0.00000
    130       1.8919      0.00000
    131       2.0427      0.00000
    132       2.2251      0.00000
    133       2.2480      0.00000
    134       2.3027      0.00000
    135       2.4855      0.00000
    136       2.6153      0.00000
    137       2.6396      0.00000
    138       2.7723      0.00000
    139       2.7965      0.00000
    140       2.8360      0.00000
    141       2.8464      0.00000
    142       2.8517      0.00000
    143       2.9302      0.00000
    144       3.1071      0.00000
    145       3.3216      0.00000
    146       3.3479      0.00000
    147       3.3872      0.00000
    148       3.4111      0.00000
    149       3.4344      0.00000
    150       3.6010      0.00000
    151       3.6419      0.00000
    152       3.6871      0.00000
    153       3.7405      0.00000
    154       3.9042      0.00000
    155       3.9350      0.00000
    156       3.9583      0.00000
    157       4.1086      0.00000
    158       4.2143      0.00000
    159       4.2702      0.00000
    160       4.2892      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2091      1.00000
      2     -22.1183      1.00000
      3     -21.9560      1.00000
      4     -21.4040      1.00000
      5     -21.0454      1.00000
      6     -21.0171      1.00000
      7     -20.4954      1.00000
      8     -20.4654      1.00000
      9     -20.2855      1.00000
     10     -20.2836      1.00000
     11     -19.9561      1.00000
     12     -19.8929      1.00000
     13     -18.8828      1.00000
     14     -18.8152      1.00000
     15     -18.3371      1.00000
     16     -18.3180      1.00000
     17     -18.1485      1.00000
     18     -18.1410      1.00000
     19     -17.8152      1.00000
     20     -17.7971      1.00000
     21     -17.2577      1.00000
     22     -17.2381      1.00000
     23     -17.1597      1.00000
     24     -17.1350      1.00000
     25     -16.1155      1.00000
     26     -15.8799      1.00000
     27     -15.8688      1.00000
     28     -15.8401      1.00000
     29     -15.2305      1.00000
     30     -14.5505      1.00000
     31     -14.5320      1.00000
     32     -14.2753      1.00000
     33     -13.9742      1.00000
     34     -13.9506      1.00000
     35     -13.8243      1.00000
     36     -13.8020      1.00000
     37     -13.6036      1.00000
     38     -13.5783      1.00000
     39     -13.3693      1.00000
     40     -12.6379      1.00000
     41     -12.1686      1.00000
     42     -12.1421      1.00000
     43     -12.0675      1.00000
     44     -12.0206      1.00000
     45     -11.6642      1.00000
     46     -11.6595      1.00000
     47     -11.1364      1.00000
     48     -11.1254      1.00000
     49     -10.7901      1.00000
     50     -10.7339      1.00000
     51     -10.5350      1.00000
     52     -10.2077      1.00000
     53     -10.2015      1.00000
     54     -10.1695      1.00000
     55     -10.0220      1.00000
     56      -9.9934      1.00000
     57      -9.9895      1.00000
     58      -9.8044      1.00000
     59      -9.7953      1.00000
     60      -9.7643      1.00000
     61      -9.7565      1.00000
     62      -9.4543      1.00000
     63      -9.4166      1.00000
     64      -9.0841      1.00000
     65      -9.0453      1.00000
     66      -9.0248      1.00000
     67      -8.9697      1.00000
     68      -8.8970      1.00000
     69      -8.7076      1.00000
     70      -8.6983      1.00000
     71      -8.5600      1.00000
     72      -8.5491      1.00000
     73      -8.4772      1.00000
     74      -8.4592      1.00000
     75      -8.4562      1.00000
     76      -8.3077      1.00000
     77      -8.0944      1.00000
     78      -8.0884      1.00000
     79      -7.9258      1.00000
     80      -7.8312      1.00000
     81      -7.6002      1.00000
     82      -7.5372      1.00000
     83      -7.4428      1.00000
     84      -7.3149      1.00000
     85      -6.9932      1.00000
     86      -6.9187      1.00000
     87      -6.8815      1.00000
     88      -6.5280      1.00000
     89      -6.5145      1.00000
     90      -6.4808      1.00000
     91      -6.4199      1.00000
     92      -5.9265      1.00000
     93      -5.9048      1.00000
     94      -5.7882      1.00000
     95      -5.7743      1.00000
     96      -5.3690      1.00000
     97      -5.3626      1.00000
     98      -5.2199      1.00000
     99      -5.2149      1.00000
    100      -5.1982      1.00000
    101      -4.7200      1.00000
    102      -4.4422      1.00000
    103      -4.1907      1.00000
    104      -3.8203      1.00000
    105      -3.5653      1.00000
    106      -3.2212      1.00000
    107      -2.5626      0.00000
    108      -1.4635      0.00000
    109      -1.2667      0.00000
    110      -1.1854      0.00000
    111      -1.1839      0.00000
    112      -0.6447      0.00000
    113      -0.5514      0.00000
    114      -0.4149      0.00000
    115      -0.3477      0.00000
    116      -0.0774      0.00000
    117      -0.0633      0.00000
    118       0.1266      0.00000
    119       0.5927      0.00000
    120       0.6271      0.00000
    121       0.8630      0.00000
    122       0.9943      0.00000
    123       1.0099      0.00000
    124       1.5005      0.00000
    125       1.6929      0.00000
    126       1.7887      0.00000
    127       1.8761      0.00000
    128       2.1189      0.00000
    129       2.1283      0.00000
    130       2.1825      0.00000
    131       2.2100      0.00000
    132       2.2514      0.00000
    133       2.3408      0.00000
    134       2.4955      0.00000
    135       2.5022      0.00000
    136       2.6773      0.00000
    137       2.8524      0.00000
    138       2.8610      0.00000
    139       2.9635      0.00000
    140       3.0185      0.00000
    141       3.0528      0.00000
    142       3.1445      0.00000
    143       3.1708      0.00000
    144       3.2518      0.00000
    145       3.2624      0.00000
    146       3.2844      0.00000
    147       3.3098      0.00000
    148       3.3619      0.00000
    149       3.4283      0.00000
    150       3.5604      0.00000
    151       3.5739      0.00000
    152       3.6570      0.00000
    153       3.6649      0.00000
    154       3.6831      0.00000
    155       3.7153      0.00000
    156       3.9051      0.00000
    157       3.9710      0.00000
    158       4.0505      0.00000
    159       4.0953      0.00000
    160       4.2019      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2826      1.00000
      2     -22.0779      1.00000
      3     -21.7196      1.00000
      4     -21.6804      1.00000
      5     -20.9822      1.00000
      6     -20.9344      1.00000
      7     -20.6108      1.00000
      8     -20.5784      1.00000
      9     -20.5650      1.00000
     10     -20.0316      1.00000
     11     -19.5128      1.00000
     12     -19.4828      1.00000
     13     -19.3108      1.00000
     14     -19.2979      1.00000
     15     -18.4490      1.00000
     16     -18.4059      1.00000
     17     -17.9270      1.00000
     18     -17.9067      1.00000
     19     -17.7653      1.00000
     20     -17.7204      1.00000
     21     -17.4411      1.00000
     22     -17.4227      1.00000
     23     -17.3376      1.00000
     24     -16.4706      1.00000
     25     -16.4602      1.00000
     26     -15.9695      1.00000
     27     -15.4104      1.00000
     28     -15.4095      1.00000
     29     -15.0955      1.00000
     30     -15.0924      1.00000
     31     -14.8526      1.00000
     32     -14.8405      1.00000
     33     -14.2971      1.00000
     34     -14.2534      1.00000
     35     -13.4436      1.00000
     36     -13.3998      1.00000
     37     -13.1746      1.00000
     38     -13.1734      1.00000
     39     -12.9846      1.00000
     40     -12.9757      1.00000
     41     -12.6103      1.00000
     42     -12.6083      1.00000
     43     -12.1960      1.00000
     44     -11.5792      1.00000
     45     -11.5380      1.00000
     46     -11.3130      1.00000
     47     -11.2827      1.00000
     48     -11.1413      1.00000
     49     -10.6921      1.00000
     50     -10.6629      1.00000
     51     -10.5464      1.00000
     52     -10.3215      1.00000
     53     -10.3138      1.00000
     54     -10.1748      1.00000
     55     -10.1212      1.00000
     56     -10.1077      1.00000
     57      -9.8107      1.00000
     58      -9.7517      1.00000
     59      -9.7513      1.00000
     60      -9.7014      1.00000
     61      -9.6976      1.00000
     62      -9.6459      1.00000
     63      -9.3520      1.00000
     64      -9.3504      1.00000
     65      -9.3179      1.00000
     66      -9.0271      1.00000
     67      -8.9609      1.00000
     68      -8.9571      1.00000
     69      -8.7745      1.00000
     70      -8.5917      1.00000
     71      -8.5876      1.00000
     72      -8.4229      1.00000
     73      -8.3488      1.00000
     74      -8.3223      1.00000
     75      -8.3016      1.00000
     76      -8.2655      1.00000
     77      -8.2542      1.00000
     78      -8.2393      1.00000
     79      -7.9207      1.00000
     80      -7.7334      1.00000
     81      -7.3788      1.00000
     82      -7.3494      1.00000
     83      -7.3240      1.00000
     84      -7.2167      1.00000
     85      -7.1597      1.00000
     86      -7.0644      1.00000
     87      -6.9601      1.00000
     88      -6.9044      1.00000
     89      -6.6138      1.00000
     90      -6.5559      1.00000
     91      -6.2715      1.00000
     92      -5.9961      1.00000
     93      -5.9588      1.00000
     94      -5.6747      1.00000
     95      -5.6481      1.00000
     96      -5.3870      1.00000
     97      -5.3146      1.00000
     98      -5.2934      1.00000
     99      -5.2114      1.00000
    100      -5.1999      1.00000
    101      -4.5114      1.00000
    102      -4.3386      1.00000
    103      -3.9963      1.00000
    104      -3.8856      1.00000
    105      -3.7927      1.00000
    106      -3.4431      1.00000
    107      -2.0346      0.00000
    108      -1.8635      0.00000
    109      -1.2178      0.00000
    110      -1.1836      0.00000
    111      -1.0360      0.00000
    112      -0.7724      0.00000
    113      -0.6772      0.00000
    114      -0.6602      0.00000
    115      -0.6096      0.00000
    116      -0.1009      0.00000
    117       0.2223      0.00000
    118       0.2404      0.00000
    119       0.7783      0.00000
    120       0.9912      0.00000
    121       1.0753      0.00000
    122       1.2430      0.00000
    123       1.2527      0.00000
    124       1.3482      0.00000
    125       1.5822      0.00000
    126       1.5850      0.00000
    127       1.7191      0.00000
    128       1.7999      0.00000
    129       1.9581      0.00000
    130       1.9819      0.00000
    131       2.0625      0.00000
    132       2.2717      0.00000
    133       2.3422      0.00000
    134       2.4285      0.00000
    135       2.5564      0.00000
    136       2.6355      0.00000
    137       2.7409      0.00000
    138       2.8077      0.00000
    139       2.8533      0.00000
    140       2.8753      0.00000
    141       3.0550      0.00000
    142       3.1105      0.00000
    143       3.1683      0.00000
    144       3.2308      0.00000
    145       3.3781      0.00000
    146       3.4199      0.00000
    147       3.5163      0.00000
    148       3.5649      0.00000
    149       3.5929      0.00000
    150       3.6161      0.00000
    151       3.6601      0.00000
    152       3.7429      0.00000
    153       3.7553      0.00000
    154       3.7715      0.00000
    155       3.7924      0.00000
    156       3.8781      0.00000
    157       4.0239      0.00000
    158       4.0988      0.00000
    159       4.1808      0.00000
    160       4.2244      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0426   -7.3902    4.1985   -1.2760   -0.2387   17.5952    0.1472   -0.5323    0.6338   -0.4649
x    -3.0921   -0.0374   -0.0632    0.0616   -0.0092   -2.9775   -0.0110   -0.0070    0.0049    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0426    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0941   -0.0087    0.0374    0.0377
y    -0.0459   -3.2472   -0.5381   -0.1637   -1.1807   -0.6055
z   204.0426    1.1257   -0.2805    0.0409    0.0090    0.0616    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0776    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1529
z    -0.2831    0.1872   -0.0390    0.0471   -0.1051    0.0013
 total charge-density along one line
x   212.0000  -10.2205    6.1465   -2.0860   -0.4744   19.5125   -0.9961    0.4744   -0.0450   -0.1261
x    -2.6451   -0.0277   -0.0610    0.0845   -0.0533   -2.2247   -0.0249   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2205    6.1465   -2.0860   -0.4744   19.5125   -0.9961    0.4744   -0.0450   -0.1261
y    -2.6451   -0.0277   -0.0610    0.0845   -0.0533   -2.2247   -0.0249   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4919  189.2898 -170.3615  153.6402 -139.4229  125.4157 -110.0994   93.9509  -78.3363
z    64.1277  -51.4773   40.4146  -31.2115   24.1168  -18.9354   15.0232  -11.7119    8.7092   -6.1162
z     4.1271   -2.7562    1.8195   -1.1095    0.5387   -0.1263   -0.1117    0.2282   -0.3096    0.4003
z    -0.4768    0.4933   -0.4399    0.3547   -0.2859    0.2511   -0.2333    0.2086   -0.1708    0.1317
z    -0.1037    0.0880   -0.0768    0.0636   -0.0490    0.0373   -0.0309    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.031   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.158   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.585  -0.238   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.379   0.000   0.000   0.000  -0.051   0.000   0.069   0.006
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.369  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.031   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.264   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.045   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.262   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.782   0.000   2.645
 22        0.864   1.771   0.000   2.634
 23        0.864   1.782   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.645
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.782   0.000   2.645
 36        0.864   1.771   0.000   2.634
 37        0.864   1.782   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.647
 40        0.863   1.785   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.867  89.424   8.029 142.321
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  113.97: CPU time   57.65
    FORLOC:  VPU time    1.23: CPU time    1.23
    FORNL :  VPU time  440.06: CPU time  220.79
    STRESS:  VPU time 1343.58: CPU time  675.88
    FORCOR:  VPU time    8.73: CPU time    8.73
    FORHAR:  VPU time    2.31: CPU time    2.31
    MIXING:  VPU time    0.19: CPU time    0.19
 d Force = 0.9490645E-05[ 0.854E-05, 0.104E-04]  d Energy = 0.1180405E-04-0.231E-05
 d Force = 0.2764789E+00[ 0.276E+00, 0.276E+00]  d Ewald  = 0.7580562E+00-0.482E+00


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726420 eV

  energy  without entropy=     -471.726420  energy(sigma->0) =     -471.726420
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40836.77  40791.43 -47535.14    -39.26      0.00      0.00
  Hartree  40261.30  40242.23 -39519.99    -16.52      0.00      0.00
  E(xc)     -779.43   -779.72   -807.36     -0.25      0.00      0.00
  Local   -83382.14 -83326.73  84369.94     47.99      0.00      0.00
  n-local   -216.80   -215.67   -203.37      0.71      0.00      0.00
  augment     20.06     22.05     17.81      1.72      0.00      0.00
  Kinetic   3162.36   3175.99   3583.95      3.45      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.21     -0.21     -0.23      0.00      0.00      0.00
  in kB       -0.13     -0.13     -0.14      0.00      0.00      0.00
  external pressure =       -0.13 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.345913061  0.000890056  0.000000000     0.080995094  0.046754821  0.000000000
    -6.172192362 10.692315450  0.000000000    -0.000006742  0.093521220  0.000000000
     0.000000000  0.000000000 19.983516650     0.000000000  0.000000000  0.050041242

  length of vectors
    12.345913093 12.345913017 19.983516650     0.093521220  0.093521220  0.050041242


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.473E-05 -.490E-04 -.951E+03   0.449E-05 -.278E-04 0.960E+03   -.508E-20 0.170E-20 -.870E+01   -.935E-08 0.367E-08 -.715E-03
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   0.244E-04 -.148E-04 -.612E-03
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   -.244E-04 0.148E-04 -.612E-03
   -.205E+01 0.118E+01 0.163E+02   0.205E+01 -.119E+01 -.162E+02   -.247E-02 0.143E-02 -.241E-01   0.918E-04 -.560E-04 0.106E-03
   0.616E+01 0.685E+01 0.194E+02   -.616E+01 -.688E+01 -.193E+02   0.121E-02 0.204E-01 -.273E-01   0.266E-03 -.751E-03 0.220E-03
   0.112E+02 0.509E+01 0.161E+02   -.112E+02 -.510E+01 -.161E+02   0.206E-01 0.772E-02 -.482E-01   0.475E-03 -.857E-04 0.397E-03
   0.472E+01 -.885E+00 0.126E+02   -.473E+01 0.893E+00 -.126E+02   0.152E-01 -.775E-02 -.178E-01   0.347E-03 -.167E-03 0.521E-03
   -.308E+01 -.253E+01 0.126E+02   0.308E+01 0.253E+01 -.126E+02   -.352E-03 0.228E-02 -.128E-01   0.509E-03 -.202E-03 0.244E-03
   0.647E+00 0.393E+01 0.126E+02   -.647E+00 -.393E+01 -.126E+02   -.215E-02 -.834E-03 -.128E-01   0.424E-03 -.346E-03 0.241E-03
   0.241E+01 0.188E+02 0.240E+02   -.241E+01 -.189E+02 -.240E+02   -.126E-02 0.103E+00 -.483E-01   0.683E-03 0.146E-03 0.519E-03
   0.227E+02 0.214E+02 0.423E+02   -.227E+02 -.216E+02 -.422E+02   0.772E-01 0.262E+00 -.606E-01   -.177E-03 -.598E-03 0.919E-03
   0.268E+02 -.343E+01 0.256E+02   -.271E+02 0.354E+01 -.256E+02   0.269E+00 -.109E+00 -.337E-01   0.273E-03 -.219E-03 0.636E-03
   0.914E+01 -.528E+01 0.136E+02   -.918E+01 0.530E+01 -.136E+02   0.427E-01 -.247E-01 -.123E-01   0.276E-03 -.166E-03 0.152E-03
   0.312E+01 -.364E+01 0.126E+02   -.314E+01 0.365E+01 -.126E+02   0.143E-01 -.932E-02 -.178E-01   0.316E-03 -.221E-03 0.513E-03
   -.592E+01 0.136E+02 0.161E+02   0.592E+01 -.137E+02 -.161E+02   -.110E-02 0.713E-01 -.517E-01   0.240E-03 -.113E-03 0.515E-03
   -.119E+02 0.362E+02 0.478E+02   0.119E+02 -.369E+02 -.481E+02   -.305E-01 0.612E+00 0.295E+00   0.698E-03 -.544E-03 0.949E-03
   0.236E+02 -.137E+02 0.940E+02   -.243E+02 0.140E+02 -.961E+02   0.638E+00 -.368E+00 0.205E+01   0.465E-03 -.271E-03 0.577E-03
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.229E+00 -.179E+00 -.337E-01   0.324E-03 -.135E-03 0.632E-03
   0.119E+01 -.122E+02 0.161E+02   -.119E+01 0.123E+02 -.161E+02   0.359E-02 -.217E-01 -.482E-01   0.315E-03 -.369E-03 0.392E-03
   -.414E+01 0.192E+01 0.116E+02   0.414E+01 -.193E+01 -.116E+02   0.252E-03 0.959E-02 -.437E-01   0.425E-03 -.226E-03 0.289E-03
   -.193E+02 0.111E+02 0.218E+02   0.193E+02 -.112E+02 -.217E+02   -.504E-01 0.291E-01 -.431E-01   0.222E-03 -.125E-03 0.328E-03
   -.373E+02 -.785E+01 0.478E+02   0.379E+02 0.814E+01 -.481E+02   -.546E+00 -.280E+00 0.295E+00   0.823E-03 -.333E-03 0.951E-03
   -.718E+01 -.303E+02 0.423E+02   0.736E+01 0.305E+02 -.422E+02   -.188E+00 -.198E+00 -.606E-01   0.432E-03 0.448E-03 0.917E-03
   -.286E+01 -.876E+01 0.194E+02   0.287E+01 0.878E+01 -.193E+02   -.171E-01 -.112E-01 -.273E-01   0.785E-03 0.143E-03 0.219E-03
   0.139E+01 -.803E+00 0.134E+02   -.139E+01 0.804E+00 -.134E+02   0.514E-03 -.297E-03 -.180E-01   0.276E-03 -.157E-03 0.119E-03
   -.374E+01 0.263E+01 0.116E+02   0.374E+01 -.262E+01 -.116E+02   -.818E-02 -.501E-02 -.437E-01   0.410E-03 -.250E-03 0.293E-03
   -.148E+02 -.169E+01 0.161E+02   0.148E+02 0.173E+01 -.161E+02   -.623E-01 -.347E-01 -.517E-01   0.220E-03 -.153E-03 0.522E-03
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.901E-01 -.506E-01 -.483E-01   0.217E-03 -.670E-03 0.522E-03
   0.286E+01 0.876E+01 0.194E+02   -.287E+01 -.878E+01 -.193E+02   0.171E-01 0.112E-01 -.273E-01   -.785E-03 -.143E-03 0.219E-03
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.901E-01 0.506E-01 -.483E-01   -.217E-03 0.670E-03 0.522E-03
   0.148E+02 0.169E+01 0.161E+02   -.148E+02 -.173E+01 -.161E+02   0.623E-01 0.347E-01 -.517E-01   -.220E-03 0.153E-03 0.522E-03
   0.374E+01 -.263E+01 0.116E+02   -.374E+01 0.262E+01 -.116E+02   0.818E-02 0.501E-02 -.437E-01   -.410E-03 0.250E-03 0.293E-03
   -.139E+01 0.803E+00 0.134E+02   0.139E+01 -.804E+00 -.134E+02   -.514E-03 0.297E-03 -.180E-01   -.276E-03 0.157E-03 0.119E-03
   -.119E+01 0.122E+02 0.161E+02   0.119E+01 -.123E+02 -.161E+02   -.359E-02 0.217E-01 -.482E-01   -.315E-03 0.369E-03 0.392E-03
   0.717E+01 0.303E+02 0.423E+02   -.736E+01 -.305E+02 -.422E+02   0.188E+00 0.198E+00 -.606E-01   -.432E-03 -.448E-03 0.917E-03
   0.373E+02 0.785E+01 0.478E+02   -.379E+02 -.814E+01 -.481E+02   0.546E+00 0.280E+00 0.295E+00   -.823E-03 0.333E-03 0.951E-03
   0.193E+02 -.111E+02 0.218E+02   -.193E+02 0.112E+02 -.217E+02   0.504E-01 -.291E-01 -.431E-01   -.222E-03 0.125E-03 0.328E-03
   0.414E+01 -.192E+01 0.116E+02   -.414E+01 0.193E+01 -.116E+02   -.252E-03 -.959E-02 -.437E-01   -.425E-03 0.226E-03 0.289E-03
   -.312E+01 0.364E+01 0.126E+02   0.314E+01 -.365E+01 -.126E+02   -.143E-01 0.932E-02 -.178E-01   -.316E-03 0.221E-03 0.513E-03
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.229E+00 0.179E+00 -.337E-01   -.324E-03 0.135E-03 0.632E-03
   -.236E+02 0.137E+02 0.940E+02   0.243E+02 -.140E+02 -.961E+02   -.638E+00 0.368E+00 0.205E+01   -.465E-03 0.271E-03 0.577E-03
   0.119E+02 -.362E+02 0.478E+02   -.119E+02 0.369E+02 -.481E+02   0.305E-01 -.612E+00 0.295E+00   -.698E-03 0.544E-03 0.949E-03
   0.592E+01 -.136E+02 0.161E+02   -.592E+01 0.137E+02 -.161E+02   0.110E-02 -.713E-01 -.517E-01   -.240E-03 0.113E-03 0.515E-03
   -.647E+00 -.393E+01 0.126E+02   0.647E+00 0.393E+01 -.126E+02   0.215E-02 0.834E-03 -.128E-01   -.424E-03 0.346E-03 0.241E-03
   -.914E+01 0.528E+01 0.136E+02   0.918E+01 -.530E+01 -.136E+02   -.427E-01 0.247E-01 -.123E-01   -.276E-03 0.166E-03 0.152E-03
   -.268E+02 0.343E+01 0.256E+02   0.271E+02 -.354E+01 -.256E+02   -.269E+00 0.109E+00 -.337E-01   -.273E-03 0.219E-03 0.636E-03
   -.227E+02 -.214E+02 0.423E+02   0.227E+02 0.216E+02 -.422E+02   -.772E-01 -.262E+00 -.606E-01   0.177E-03 0.598E-03 0.919E-03
   -.241E+01 -.188E+02 0.240E+02   0.241E+01 0.189E+02 -.240E+02   0.126E-02 -.103E+00 -.483E-01   -.683E-03 -.146E-03 0.519E-03
   0.205E+01 -.118E+01 0.163E+02   -.205E+01 0.119E+01 -.162E+02   0.247E-02 -.143E-02 -.241E-01   -.918E-04 0.560E-04 0.106E-03
   0.308E+01 0.253E+01 0.126E+02   -.308E+01 -.253E+01 -.126E+02   0.352E-03 -.228E-02 -.128E-01   -.509E-03 0.202E-03 0.244E-03
   -.472E+01 0.885E+00 0.126E+02   0.473E+01 -.893E+00 -.126E+02   -.152E-01 0.775E-02 -.178E-01   -.347E-03 0.167E-03 0.521E-03
   -.112E+02 -.509E+01 0.161E+02   0.112E+02 0.510E+01 -.161E+02   -.206E-01 -.772E-02 -.482E-01   -.475E-03 0.857E-04 0.397E-03
   -.616E+01 -.685E+01 0.194E+02   0.616E+01 0.688E+01 -.193E+02   -.121E-02 -.204E-01 -.273E-01   -.266E-03 0.751E-03 0.220E-03
 -----------------------------------------------------------------------------------------------
   -.180E-02 0.290E-03 0.100E+02   0.724E-12 -.604E-13 0.711E-14   -.387E-15 0.219E-15 -.100E+02   -.300E-08 -.399E-08 0.214E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85232      6.05936     12.26293         0.000000      0.000000      0.008591
      1.07515      6.50807     13.52210        -0.000775      0.000448      0.013793
      2.62949      5.61066     13.52210         0.000775     -0.000448      0.013793
      0.00013     -0.00007      9.90938        -0.000777      0.000449      0.000241
     -1.23479      2.13702      9.90805         0.000811     -0.001737     -0.000017
     -2.47006      4.27666      9.92803        -0.000967      0.001058     -0.000532
     -3.70378      6.41548      9.93576        -0.000553      0.000623     -0.001009
     -4.93754      8.55384      9.92630        -0.001710      0.001111     -0.000276
      2.46930      0.00000      9.92630        -0.001817      0.000925     -0.000276
      1.23400      2.13680      9.91758         0.000092      0.002307     -0.000897
     -0.00258      4.27106      9.93011        -0.003704      0.001529     -0.002173
     -1.23831      6.41613      9.95218         0.001162     -0.000029     -0.001005
     -2.46892      8.55423      9.93760         0.000052     -0.000030      0.000466
      4.93805      0.00071      9.93576        -0.000816      0.000168     -0.001009
      3.70435      2.13693      9.93903        -0.000752     -0.000880     -0.001080
      2.47004      4.26881      9.96669        -0.000762     -0.000275     -0.002169
      1.22923      6.41911      9.97295        -0.000675      0.000389      0.000011
     -0.00197      8.55755      9.95218         0.000607     -0.000992     -0.001005
      7.40719      0.00169      9.92803        -0.001399      0.000309     -0.000532
      6.17283      2.13906      9.93435        -0.001074      0.000682     -0.000422
      4.93926      4.27712      9.94706         0.001272     -0.000734      0.000125
      3.71185      6.41969      9.96669        -0.000143      0.000798     -0.002169
      2.47358      8.55991      9.93011        -0.003177      0.002443     -0.002173
      9.87780      0.00174      9.90805         0.001909      0.000166     -0.000017
      8.64217      2.13925      9.91923        -0.001715      0.000990      0.000224
      7.40766      4.27785      9.93435        -0.001128      0.000589     -0.000422
      6.17527      6.41668      9.93903         0.000386      0.001092     -0.001080
      4.94020      8.55613      9.91758        -0.001952     -0.001233     -0.000897
     -0.00097      1.42467      9.90805        -0.001909     -0.000166     -0.000017
     -1.23556      3.56260      9.91758         0.001952      0.001233     -0.000897
     -2.47063      5.70205      9.93903        -0.000386     -0.001092     -0.001080
     -3.70302      7.84088      9.93435         0.001128     -0.000589     -0.000422
     -4.93753      9.97948      9.91923         0.001715     -0.000990      0.000224
      2.46965      1.42473      9.92803         0.001399     -0.000309     -0.000532
      1.23106      3.55882      9.93011         0.003177     -0.002443     -0.002173
     -0.00721      5.69904      9.96669         0.000143     -0.000798     -0.002169
     -1.23462      7.84161      9.94706        -0.001272      0.000734      0.000125
     -2.46819      9.97967      9.93435         0.001074     -0.000682     -0.000422
      4.93878      1.42570      9.93576         0.000816     -0.000168     -0.001009
      3.70661      3.56118      9.95218        -0.000607      0.000992     -0.001005
      2.47541      5.69962      9.97295         0.000675     -0.000389      0.000011
      1.23460      7.84992      9.96669         0.000762      0.000275     -0.002169
      0.00029      9.98180      9.93903         0.000752      0.000880     -0.001080
      7.40753      1.42642      9.92630         0.001817     -0.000925     -0.000276
      6.17356      3.56450      9.93760        -0.000052      0.000030      0.000466
      4.94295      5.70260      9.95218        -0.001162      0.000029     -0.001005
      3.70722      7.84767      9.93011         0.003704     -0.001529     -0.002173
      2.47064      9.98193      9.91758        -0.000092     -0.002307     -0.000897
      9.87670      1.42649      9.90938         0.000777     -0.000449      0.000241
      8.64218      3.56489      9.92630         0.001710     -0.001111     -0.000276
      7.40842      5.70325      9.93576         0.000553     -0.000623     -0.001009
      6.17470      7.84207      9.92803         0.000967     -0.001058     -0.000532
      4.93943      9.98171      9.90805        -0.000811      0.001737     -0.000017
 -----------------------------------------------------------------------------------
    total drift:                               -0.001804      0.000290      0.014203


--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.000012  1 .order   -0.000010   -0.000011   -0.000009
  (g-gl).g = 0.658E-04      g.g   = 0.519E-04  gl.gl    = 0.312E-03
 g(Force)  = 0.513E-04   g(Stress)= 0.533E-06 ortho     = 0.488E-05
 gamma     =   0.21071
 trial     =   0.20144
 opt step  =   0.80574  (harmonic =   1.06232) maximal distance =0.00085556
 next E    =  -471.726436   (d E  =  -0.00003)


--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.97: CPU time    1.97
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.36
    ORTHCH:  VPU time  187.84: CPU time   94.21
     LOOP+:  VPU time 5179.99: CPU time 2666.22


----------------------------------------- Iteration   45(   1)  ---------------------------------------


    POTLOK:  VPU time    9.22: CPU time    9.11
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1771.00: CPU time  914.08
 BZINTS: Fermi energy: -3.206353;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.45: CPU time   57.80
    MIXING:  VPU time    0.17: CPU time    0.17
    ------------------------------------------
      LOOP:  VPU time 1895.25: CPU time  981.54

 eigenvalue-minimisations  :  5856
 total energy-change (2. order) :-0.4717264E+03  (-0.3499159E-03)
 number of electron  212.0000059 magnetization    0.0000000
 augmentation part     7.9571509 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.11573E-02    rms(broyden)= 0.11567E-02
  rms(prec ) = 0.12418E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34090.79974854
  -1/2 Hartree   DENC   =    -40981.57860796
  -V(xc)+E(xc)   XCENC  =       726.57263513
  PAW double counting   =      4093.58322550    -4131.92921906
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.61407321
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72643746 eV

  energy without entropy =     -471.72643746  energy(sigma->0) =     -471.72643746


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   45(   2)  ---------------------------------------


    POTLOK:  VPU time    9.12: CPU time    9.10
    SETDIJ:  VPU time    0.33: CPU time    0.34
    EDDAV :  VPU time 1395.88: CPU time  721.49
 BZINTS: Fermi energy: -3.206573;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1405.39: CPU time  730.97

 eigenvalue-minimisations  :  4128
 total energy-change (2. order) :-0.2339006E-05  (-0.5916849E-05)
 number of electron  212.0000059 magnetization    0.0000000
 augmentation part     7.9571509 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34090.79974854
  -1/2 Hartree   DENC   =    -40981.50952031
  -V(xc)+E(xc)   XCENC  =       726.57108939
  PAW double counting   =      4093.52973115    -4131.87514005
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.68220213
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72643980 eV

  energy without entropy =     -471.72643980  energy(sigma->0) =     -471.72643980


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2179       2 -39.5372       3 -39.5372       4 -58.3137       5 -58.3179
       6 -58.3202       7 -58.3148       8 -58.3151       9 -58.3151      10 -58.3216
      11 -58.3878      12 -58.3516      13 -58.3232      14 -58.3148      15 -58.3246
      16 -58.5428      17 -58.7294      18 -58.3516      19 -58.3202      20 -58.3199
      21 -58.3579      22 -58.5428      23 -58.3878      24 -58.3179      25 -58.3230
      26 -58.3199      27 -58.3246      28 -58.3217      29 -58.3178      30 -58.3215
      31 -58.3245      32 -58.3198      33 -58.3229      34 -58.3201      35 -58.3877
      36 -58.5427      37 -58.3578      38 -58.3198      39 -58.3147      40 -58.3515
      41 -58.7293      42 -58.5428      43 -58.3245      44 -58.3150      45 -58.3230
      46 -58.3515      47 -58.3878      48 -58.3216      49 -58.3136      50 -58.3150
      51 -58.3147      52 -58.3201      53 -58.3178
 
 
 
 E-fermi :  -3.2066     XC(G=0):  -2.3387     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4253      1.00000
      2     -21.6021      1.00000
      3     -21.4804      1.00000
      4     -21.4714      1.00000
      5     -21.4398      1.00000
      6     -21.4390      1.00000
      7     -21.4288      1.00000
      8     -19.7063      1.00000
      9     -19.6518      1.00000
     10     -19.6287      1.00000
     11     -19.6172      1.00000
     12     -19.6119      1.00000
     13     -19.6111      1.00000
     14     -18.7885      1.00000
     15     -18.7538      1.00000
     16     -18.7340      1.00000
     17     -18.7248      1.00000
     18     -18.7172      1.00000
     19     -18.7117      1.00000
     20     -16.6339      1.00000
     21     -16.6090      1.00000
     22     -16.5841      1.00000
     23     -16.5800      1.00000
     24     -16.5539      1.00000
     25     -16.5516      1.00000
     26     -15.6122      1.00000
     27     -15.6015      1.00000
     28     -15.5984      1.00000
     29     -15.5646      1.00000
     30     -15.5626      1.00000
     31     -15.5596      1.00000
     32     -14.2585      1.00000
     33     -14.2500      1.00000
     34     -14.2399      1.00000
     35     -14.2350      1.00000
     36     -14.2216      1.00000
     37     -14.2183      1.00000
     38     -11.9042      1.00000
     39     -11.8782      1.00000
     40     -11.8678      1.00000
     41     -11.8648      1.00000
     42     -11.8450      1.00000
     43     -11.8436      1.00000
     44     -11.7699      1.00000
     45     -11.7678      1.00000
     46     -11.7345      1.00000
     47     -11.7280      1.00000
     48     -11.7246      1.00000
     49     -11.7208      1.00000
     50     -10.6748      1.00000
     51     -10.3872      1.00000
     52     -10.3833      1.00000
     53     -10.3764      1.00000
     54     -10.3664      1.00000
     55     -10.3552      1.00000
     56     -10.3527      1.00000
     57      -9.9027      1.00000
     58      -9.4494      1.00000
     59      -9.4044      1.00000
     60      -9.3613      1.00000
     61      -9.3608      1.00000
     62      -9.3529      1.00000
     63      -9.1408      1.00000
     64      -9.1221      1.00000
     65      -9.1202      1.00000
     66      -9.0846      1.00000
     67      -9.0704      1.00000
     68      -9.0698      1.00000
     69      -9.0697      1.00000
     70      -9.0642      1.00000
     71      -9.0630      1.00000
     72      -9.0384      1.00000
     73      -9.0283      1.00000
     74      -9.0248      1.00000
     75      -8.1291      1.00000
     76      -7.7458      1.00000
     77      -7.4689      1.00000
     78      -7.4649      1.00000
     79      -7.4539      1.00000
     80      -7.4334      1.00000
     81      -7.4233      1.00000
     82      -7.4062      1.00000
     83      -7.3119      1.00000
     84      -7.2701      1.00000
     85      -7.2562      1.00000
     86      -7.2480      1.00000
     87      -7.1497      1.00000
     88      -7.0493      1.00000
     89      -6.4451      1.00000
     90      -6.4149      1.00000
     91      -6.3995      1.00000
     92      -6.3630      1.00000
     93      -6.3521      1.00000
     94      -6.3403      1.00000
     95      -5.9600      1.00000
     96      -5.9559      1.00000
     97      -4.8056      1.00000
     98      -4.5437      1.00000
     99      -4.4818      1.00000
    100      -4.4732      1.00000
    101      -4.3823      1.00000
    102      -4.3808      1.00000
    103      -4.2672      1.00000
    104      -4.1868      1.00000
    105      -3.7391      1.00000
    106      -3.4773      1.00000
    107      -1.8622      0.00000
    108      -1.6693      0.00000
    109      -1.6238      0.00000
    110      -1.5923      0.00000
    111      -1.5753      0.00000
    112      -1.5753      0.00000
    113      -0.4287      0.00000
    114       0.1467      0.00000
    115       0.1914      0.00000
    116       0.2551      0.00000
    117       0.2681      0.00000
    118       0.2707      0.00000
    119       0.4767      0.00000
    120       0.5560      0.00000
    121       1.2577      0.00000
    122       1.2920      0.00000
    123       1.5492      0.00000
    124       1.7785      0.00000
    125       1.7787      0.00000
    126       1.7822      0.00000
    127       1.7824      0.00000
    128       1.8321      0.00000
    129       1.9576      0.00000
    130       1.9718      0.00000
    131       1.9742      0.00000
    132       1.9879      0.00000
    133       1.9959      0.00000
    134       2.0863      0.00000
    135       2.2639      0.00000
    136       2.3442      0.00000
    137       2.6312      0.00000
    138       2.6320      0.00000
    139       2.6621      0.00000
    140       2.7260      0.00000
    141       2.9457      0.00000
    142       3.0320      0.00000
    143       3.0414      0.00000
    144       3.0727      0.00000
    145       3.0740      0.00000
    146       3.0779      0.00000
    147       3.0996      0.00000
    148       3.2870      0.00000
    149       3.4529      0.00000
    150       3.5204      0.00000
    151       3.8262      0.00000
    152       3.9632      0.00000
    153       3.9761      0.00000
    154       3.9784      0.00000
    155       3.9850      0.00000
    156       4.0040      0.00000
    157       4.1913      0.00000
    158       4.2664      0.00000
    159       4.2764      0.00000
    160       4.2880      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3886      1.00000
      2     -21.8295      1.00000
      3     -21.6372      1.00000
      4     -21.6094      1.00000
      5     -21.2737      1.00000
      6     -21.2343      1.00000
      7     -21.0559      1.00000
      8     -20.1667      1.00000
      9     -20.1285      1.00000
     10     -19.6075      1.00000
     11     -19.5967      1.00000
     12     -19.4162      1.00000
     13     -19.0886      1.00000
     14     -19.0591      1.00000
     15     -19.0481      1.00000
     16     -19.0405      1.00000
     17     -18.3597      1.00000
     18     -18.3515      1.00000
     19     -18.0182      1.00000
     20     -17.0683      1.00000
     21     -17.0296      1.00000
     22     -16.9430      1.00000
     23     -16.9396      1.00000
     24     -16.4671      1.00000
     25     -16.4629      1.00000
     26     -15.6120      1.00000
     27     -15.6070      1.00000
     28     -15.2510      1.00000
     29     -15.2429      1.00000
     30     -15.1843      1.00000
     31     -15.0975      1.00000
     32     -15.0708      1.00000
     33     -14.6975      1.00000
     34     -14.6956      1.00000
     35     -13.7256      1.00000
     36     -13.7229      1.00000
     37     -13.2354      1.00000
     38     -12.6138      1.00000
     39     -12.5841      1.00000
     40     -12.4536      1.00000
     41     -12.4497      1.00000
     42     -12.1083      1.00000
     43     -12.1036      1.00000
     44     -11.7159      1.00000
     45     -11.6850      1.00000
     46     -11.2340      1.00000
     47     -11.2264      1.00000
     48     -11.0171      1.00000
     49     -11.0091      1.00000
     50     -10.9251      1.00000
     51     -10.9041      1.00000
     52     -10.6297      1.00000
     53     -10.1551      1.00000
     54     -10.1501      1.00000
     55     -10.0917      1.00000
     56      -9.9974      1.00000
     57      -9.7009      1.00000
     58      -9.6951      1.00000
     59      -9.6547      1.00000
     60      -9.5913      1.00000
     61      -9.5754      1.00000
     62      -9.5581      1.00000
     63      -9.3069      1.00000
     64      -9.3025      1.00000
     65      -9.2730      1.00000
     66      -9.2353      1.00000
     67      -9.1357      1.00000
     68      -9.1154      1.00000
     69      -9.1101      1.00000
     70      -8.9386      1.00000
     71      -8.8709      1.00000
     72      -8.6036      1.00000
     73      -8.5898      1.00000
     74      -8.2356      1.00000
     75      -8.1008      1.00000
     76      -7.9125      1.00000
     77      -7.8626      1.00000
     78      -7.7715      1.00000
     79      -7.7563      1.00000
     80      -7.6914      1.00000
     81      -7.5604      1.00000
     82      -7.3390      1.00000
     83      -7.3227      1.00000
     84      -7.2035      1.00000
     85      -7.1230      1.00000
     86      -7.0314      1.00000
     87      -7.0110      1.00000
     88      -6.7035      1.00000
     89      -6.6773      1.00000
     90      -6.6402      1.00000
     91      -6.5973      1.00000
     92      -6.1167      1.00000
     93      -6.0611      1.00000
     94      -6.0299      1.00000
     95      -6.0112      1.00000
     96      -5.7823      1.00000
     97      -4.9736      1.00000
     98      -4.8319      1.00000
     99      -4.7465      1.00000
    100      -4.6784      1.00000
    101      -4.4683      1.00000
    102      -4.2032      1.00000
    103      -4.1721      1.00000
    104      -4.1274      1.00000
    105      -3.7294      1.00000
    106      -3.4875      1.00000
    107      -1.8705      0.00000
    108      -1.8077      0.00000
    109      -1.5248      0.00000
    110      -1.3766      0.00000
    111      -1.3218      0.00000
    112      -1.2886      0.00000
    113      -0.7204      0.00000
    114      -0.3762      0.00000
    115      -0.2491      0.00000
    116       0.0370      0.00000
    117       0.5620      0.00000
    118       0.7003      0.00000
    119       0.7463      0.00000
    120       1.0490      0.00000
    121       1.0989      0.00000
    122       1.1535      0.00000
    123       1.2284      0.00000
    124       1.3851      0.00000
    125       1.5304      0.00000
    126       1.5972      0.00000
    127       1.7197      0.00000
    128       1.8033      0.00000
    129       1.8571      0.00000
    130       1.8827      0.00000
    131       2.0997      0.00000
    132       2.1990      0.00000
    133       2.2468      0.00000
    134       2.3189      0.00000
    135       2.5241      0.00000
    136       2.6053      0.00000
    137       2.6224      0.00000
    138       2.7859      0.00000
    139       2.7979      0.00000
    140       2.8254      0.00000
    141       2.8382      0.00000
    142       2.9054      0.00000
    143       2.9360      0.00000
    144       3.0999      0.00000
    145       3.1668      0.00000
    146       3.3248      0.00000
    147       3.3624      0.00000
    148       3.4104      0.00000
    149       3.4767      0.00000
    150       3.6152      0.00000
    151       3.6466      0.00000
    152       3.6735      0.00000
    153       3.7202      0.00000
    154       3.9245      0.00000
    155       3.9659      0.00000
    156       4.0250      0.00000
    157       4.0707      0.00000
    158       4.2515      0.00000
    159       4.2613      0.00000
    160       4.2830      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2826      1.00000
      2     -22.0770      1.00000
      3     -21.7157      1.00000
      4     -21.6838      1.00000
      5     -20.9785      1.00000
      6     -20.9379      1.00000
      7     -20.6109      1.00000
      8     -20.5744      1.00000
      9     -20.5679      1.00000
     10     -20.0317      1.00000
     11     -19.5023      1.00000
     12     -19.4909      1.00000
     13     -19.3058      1.00000
     14     -19.3008      1.00000
     15     -18.4468      1.00000
     16     -18.4101      1.00000
     17     -17.9214      1.00000
     18     -17.9122      1.00000
     19     -17.7608      1.00000
     20     -17.7250      1.00000
     21     -17.4350      1.00000
     22     -17.4279      1.00000
     23     -17.3400      1.00000
     24     -16.4622      1.00000
     25     -16.4610      1.00000
     26     -15.9666      1.00000
     27     -15.4125      1.00000
     28     -15.4084      1.00000
     29     -15.0950      1.00000
     30     -15.0926      1.00000
     31     -14.8538      1.00000
     32     -14.8466      1.00000
     33     -14.2899      1.00000
     34     -14.2572      1.00000
     35     -13.4363      1.00000
     36     -13.4040      1.00000
     37     -13.1766      1.00000
     38     -13.1731      1.00000
     39     -12.9810      1.00000
     40     -12.9762      1.00000
     41     -12.6122      1.00000
     42     -12.6087      1.00000
     43     -12.1975      1.00000
     44     -11.5752      1.00000
     45     -11.5414      1.00000
     46     -11.3092      1.00000
     47     -11.2866      1.00000
     48     -11.1419      1.00000
     49     -10.6754      1.00000
     50     -10.6604      1.00000
     51     -10.5519      1.00000
     52     -10.3233      1.00000
     53     -10.3166      1.00000
     54     -10.1682      1.00000
     55     -10.1155      1.00000
     56     -10.1114      1.00000
     57      -9.7971      1.00000
     58      -9.7651      1.00000
     59      -9.7509      1.00000
     60      -9.6988      1.00000
     61      -9.6971      1.00000
     62      -9.6610      1.00000
     63      -9.3547      1.00000
     64      -9.3502      1.00000
     65      -9.3142      1.00000
     66      -9.0399      1.00000
     67      -8.9625      1.00000
     68      -8.9477      1.00000
     69      -8.7985      1.00000
     70      -8.5936      1.00000
     71      -8.5566      1.00000
     72      -8.3975      1.00000
     73      -8.3638      1.00000
     74      -8.3236      1.00000
     75      -8.3062      1.00000
     76      -8.2583      1.00000
     77      -8.2559      1.00000
     78      -8.2352      1.00000
     79      -7.9039      1.00000
     80      -7.6506      1.00000
     81      -7.5492      1.00000
     82      -7.3867      1.00000
     83      -7.3497      1.00000
     84      -7.2313      1.00000
     85      -7.0957      1.00000
     86      -7.0383      1.00000
     87      -6.9330      1.00000
     88      -6.8480      1.00000
     89      -6.6112      1.00000
     90      -6.5594      1.00000
     91      -6.2684      1.00000
     92      -6.0429      1.00000
     93      -5.9507      1.00000
     94      -5.6617      1.00000
     95      -5.6225      1.00000
     96      -5.4623      1.00000
     97      -5.3189      1.00000
     98      -5.2781      1.00000
     99      -5.2128      1.00000
    100      -5.1938      1.00000
    101      -4.5080      1.00000
    102      -4.2074      1.00000
    103      -4.0589      1.00000
    104      -3.9892      1.00000
    105      -3.6942      1.00000
    106      -3.4977      1.00000
    107      -1.9459      0.00000
    108      -1.8956      0.00000
    109      -1.3395      0.00000
    110      -1.0852      0.00000
    111      -1.0573      0.00000
    112      -0.8007      0.00000
    113      -0.6765      0.00000
    114      -0.6473      0.00000
    115      -0.6079      0.00000
    116      -0.1080      0.00000
    117       0.2149      0.00000
    118       0.3289      0.00000
    119       0.7010      0.00000
    120       0.8934      0.00000
    121       1.1291      0.00000
    122       1.1992      0.00000
    123       1.3331      0.00000
    124       1.4289      0.00000
    125       1.5570      0.00000
    126       1.5776      0.00000
    127       1.6928      0.00000
    128       1.8114      0.00000
    129       1.8895      0.00000
    130       2.0627      0.00000
    131       2.1119      0.00000
    132       2.3107      0.00000
    133       2.3544      0.00000
    134       2.4094      0.00000
    135       2.5613      0.00000
    136       2.6367      0.00000
    137       2.7346      0.00000
    138       2.7392      0.00000
    139       2.8075      0.00000
    140       2.8904      0.00000
    141       3.0565      0.00000
    142       3.0669      0.00000
    143       3.1770      0.00000
    144       3.2734      0.00000
    145       3.3683      0.00000
    146       3.4237      0.00000
    147       3.4446      0.00000
    148       3.5706      0.00000
    149       3.5892      0.00000
    150       3.6129      0.00000
    151       3.6630      0.00000
    152       3.6828      0.00000
    153       3.7775      0.00000
    154       3.7881      0.00000
    155       3.8105      0.00000
    156       3.8952      0.00000
    157       3.9339      0.00000
    158       3.9983      0.00000
    159       4.2236      0.00000
    160       4.2308      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3166      1.00000
      2     -21.9619      1.00000
      3     -21.8927      1.00000
      4     -21.3800      1.00000
      5     -21.3507      1.00000
      6     -20.8388      1.00000
      7     -20.7735      1.00000
      8     -20.6232      1.00000
      9     -20.0767      1.00000
     10     -20.0711      1.00000
     11     -19.7160      1.00000
     12     -19.6914      1.00000
     13     -18.9955      1.00000
     14     -18.9898      1.00000
     15     -18.6399      1.00000
     16     -18.6237      1.00000
     17     -18.4614      1.00000
     18     -17.6745      1.00000
     19     -17.6240      1.00000
     20     -17.6213      1.00000
     21     -17.5794      1.00000
     22     -17.1260      1.00000
     23     -17.1041      1.00000
     24     -16.9620      1.00000
     25     -16.0018      1.00000
     26     -15.9272      1.00000
     27     -15.5852      1.00000
     28     -15.5851      1.00000
     29     -15.2849      1.00000
     30     -14.8639      1.00000
     31     -14.8364      1.00000
     32     -14.5784      1.00000
     33     -14.5365      1.00000
     34     -14.1671      1.00000
     35     -14.1537      1.00000
     36     -13.1485      1.00000
     37     -13.1002      1.00000
     38     -13.0292      1.00000
     39     -13.0190      1.00000
     40     -12.7087      1.00000
     41     -12.7047      1.00000
     42     -12.3405      1.00000
     43     -12.3092      1.00000
     44     -11.6345      1.00000
     45     -11.6209      1.00000
     46     -11.5700      1.00000
     47     -10.9481      1.00000
     48     -10.9151      1.00000
     49     -10.6320      1.00000
     50     -10.6249      1.00000
     51     -10.5467      1.00000
     52     -10.4987      1.00000
     53     -10.4984      1.00000
     54     -10.4405      1.00000
     55     -10.3605      1.00000
     56     -10.0983      1.00000
     57      -9.9025      1.00000
     58      -9.6089      1.00000
     59      -9.5564      1.00000
     60      -9.4515      1.00000
     61      -9.4110      1.00000
     62      -9.4044      1.00000
     63      -9.3772      1.00000
     64      -9.3771      1.00000
     65      -9.2864      1.00000
     66      -9.1669      1.00000
     67      -9.1417      1.00000
     68      -9.1127      1.00000
     69      -8.8636      1.00000
     70      -8.8561      1.00000
     71      -8.8142      1.00000
     72      -8.5959      1.00000
     73      -8.4789      1.00000
     74      -8.1974      1.00000
     75      -8.1621      1.00000
     76      -8.0081      1.00000
     77      -7.9633      1.00000
     78      -7.8515      1.00000
     79      -7.8410      1.00000
     80      -7.7038      1.00000
     81      -7.6970      1.00000
     82      -7.6215      1.00000
     83      -7.4483      1.00000
     84      -7.2999      1.00000
     85      -7.2530      1.00000
     86      -6.9056      1.00000
     87      -6.8920      1.00000
     88      -6.5879      1.00000
     89      -6.5506      1.00000
     90      -6.4079      1.00000
     91      -6.2530      1.00000
     92      -6.2327      1.00000
     93      -6.2030      1.00000
     94      -6.0220      1.00000
     95      -5.5490      1.00000
     96      -5.4878      1.00000
     97      -5.3493      1.00000
     98      -5.2187      1.00000
     99      -4.9798      1.00000
    100      -4.7318      1.00000
    101      -4.6775      1.00000
    102      -4.3871      1.00000
    103      -4.2027      1.00000
    104      -3.8708      1.00000
    105      -3.5468      1.00000
    106      -3.5097      1.00000
    107      -2.2551      0.00000
    108      -1.4566      0.00000
    109      -1.3699      0.00000
    110      -1.2415      0.00000
    111      -1.0985      0.00000
    112      -0.9458      0.00000
    113      -0.8645      0.00000
    114      -0.8040      0.00000
    115      -0.1391      0.00000
    116       0.1120      0.00000
    117       0.2411      0.00000
    118       0.3770      0.00000
    119       0.6590      0.00000
    120       0.8363      0.00000
    121       0.9365      0.00000
    122       1.0692      0.00000
    123       1.2412      0.00000
    124       1.4527      0.00000
    125       1.5671      0.00000
    126       1.7660      0.00000
    127       1.7932      0.00000
    128       1.8684      0.00000
    129       1.9857      0.00000
    130       2.0451      0.00000
    131       2.1884      0.00000
    132       2.1902      0.00000
    133       2.4228      0.00000
    134       2.4352      0.00000
    135       2.5110      0.00000
    136       2.6046      0.00000
    137       2.6351      0.00000
    138       2.7045      0.00000
    139       2.7891      0.00000
    140       2.8485      0.00000
    141       2.9642      0.00000
    142       3.0941      0.00000
    143       3.1901      0.00000
    144       3.2120      0.00000
    145       3.2434      0.00000
    146       3.3321      0.00000
    147       3.3426      0.00000
    148       3.4749      0.00000
    149       3.5150      0.00000
    150       3.6990      0.00000
    151       3.7208      0.00000
    152       3.7301      0.00000
    153       3.8655      0.00000
    154       3.9103      0.00000
    155       3.9585      0.00000
    156       3.9818      0.00000
    157       4.0011      0.00000
    158       4.0359      0.00000
    159       4.0585      0.00000
    160       4.0715      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2096      1.00000
      2     -22.1166      1.00000
      3     -21.9559      1.00000
      4     -21.4035      1.00000
      5     -21.0489      1.00000
      6     -21.0130      1.00000
      7     -20.4998      1.00000
      8     -20.4604      1.00000
      9     -20.2941      1.00000
     10     -20.2748      1.00000
     11     -19.9567      1.00000
     12     -19.8910      1.00000
     13     -18.8817      1.00000
     14     -18.8130      1.00000
     15     -18.3520      1.00000
     16     -18.3060      1.00000
     17     -18.1524      1.00000
     18     -18.1351      1.00000
     19     -17.8259      1.00000
     20     -17.7885      1.00000
     21     -17.2511      1.00000
     22     -17.2415      1.00000
     23     -17.1639      1.00000
     24     -17.1323      1.00000
     25     -16.1097      1.00000
     26     -15.8841      1.00000
     27     -15.8694      1.00000
     28     -15.8339      1.00000
     29     -15.2356      1.00000
     30     -14.5542      1.00000
     31     -14.5265      1.00000
     32     -14.2794      1.00000
     33     -13.9636      1.00000
     34     -13.9560      1.00000
     35     -13.8201      1.00000
     36     -13.8045      1.00000
     37     -13.6138      1.00000
     38     -13.5701      1.00000
     39     -13.3691      1.00000
     40     -12.6340      1.00000
     41     -12.1801      1.00000
     42     -12.1323      1.00000
     43     -12.0708      1.00000
     44     -12.0187      1.00000
     45     -11.6696      1.00000
     46     -11.6561      1.00000
     47     -11.1384      1.00000
     48     -11.1179      1.00000
     49     -10.7936      1.00000
     50     -10.7301      1.00000
     51     -10.5276      1.00000
     52     -10.2090      1.00000
     53     -10.2045      1.00000
     54     -10.1636      1.00000
     55     -10.0176      1.00000
     56     -10.0034      1.00000
     57      -9.9900      1.00000
     58      -9.8007      1.00000
     59      -9.7973      1.00000
     60      -9.7623      1.00000
     61      -9.7574      1.00000
     62      -9.4536      1.00000
     63      -9.4163      1.00000
     64      -9.0795      1.00000
     65      -9.0726      1.00000
     66      -9.0402      1.00000
     67      -8.9543      1.00000
     68      -8.8763      1.00000
     69      -8.7119      1.00000
     70      -8.6995      1.00000
     71      -8.5649      1.00000
     72      -8.5420      1.00000
     73      -8.4983      1.00000
     74      -8.4631      1.00000
     75      -8.4515      1.00000
     76      -8.2595      1.00000
     77      -8.1246      1.00000
     78      -8.0424      1.00000
     79      -7.9161      1.00000
     80      -7.8624      1.00000
     81      -7.6141      1.00000
     82      -7.5477      1.00000
     83      -7.4894      1.00000
     84      -7.2683      1.00000
     85      -6.9960      1.00000
     86      -6.9234      1.00000
     87      -6.8827      1.00000
     88      -6.5314      1.00000
     89      -6.4861      1.00000
     90      -6.4606      1.00000
     91      -6.4097      1.00000
     92      -5.9829      1.00000
     93      -5.8967      1.00000
     94      -5.7836      1.00000
     95      -5.7593      1.00000
     96      -5.4311      1.00000
     97      -5.3287      1.00000
     98      -5.2292      1.00000
     99      -5.2167      1.00000
    100      -5.1886      1.00000
    101      -4.6917      1.00000
    102      -4.4212      1.00000
    103      -4.2093      1.00000
    104      -3.8339      1.00000
    105      -3.5287      1.00000
    106      -3.2743      1.00000
    107      -2.5305      0.00000
    108      -1.4584      0.00000
    109      -1.2660      0.00000
    110      -1.2029      0.00000
    111      -1.1721      0.00000
    112      -0.7199      0.00000
    113      -0.5037      0.00000
    114      -0.4124      0.00000
    115      -0.3392      0.00000
    116      -0.1463      0.00000
    117      -0.0034      0.00000
    118       0.1939      0.00000
    119       0.5621      0.00000
    120       0.6125      0.00000
    121       0.8023      0.00000
    122       0.9140      0.00000
    123       1.1401      0.00000
    124       1.5043      0.00000
    125       1.6433      0.00000
    126       1.8712      0.00000
    127       1.9374      0.00000
    128       2.1150      0.00000
    129       2.1248      0.00000
    130       2.1295      0.00000
    131       2.1754      0.00000
    132       2.2799      0.00000
    133       2.3262      0.00000
    134       2.4595      0.00000
    135       2.5792      0.00000
    136       2.6656      0.00000
    137       2.8610      0.00000
    138       2.8723      0.00000
    139       2.9018      0.00000
    140       3.0313      0.00000
    141       3.0376      0.00000
    142       3.1502      0.00000
    143       3.1623      0.00000
    144       3.2399      0.00000
    145       3.2810      0.00000
    146       3.2901      0.00000
    147       3.3065      0.00000
    148       3.3526      0.00000
    149       3.4335      0.00000
    150       3.4528      0.00000
    151       3.5621      0.00000
    152       3.6264      0.00000
    153       3.6866      0.00000
    154       3.7184      0.00000
    155       3.7850      0.00000
    156       3.9015      0.00000
    157       3.9519      0.00000
    158       4.0158      0.00000
    159       4.1499      0.00000
    160       4.2382      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3164      1.00000
      2     -21.9634      1.00000
      3     -21.8912      1.00000
      4     -21.3837      1.00000
      5     -21.3473      1.00000
      6     -20.8385      1.00000
      7     -20.7722      1.00000
      8     -20.6241      1.00000
      9     -20.0886      1.00000
     10     -20.0600      1.00000
     11     -19.7175      1.00000
     12     -19.6888      1.00000
     13     -19.0089      1.00000
     14     -18.9779      1.00000
     15     -18.6489      1.00000
     16     -18.6163      1.00000
     17     -18.4598      1.00000
     18     -17.6597      1.00000
     19     -17.6462      1.00000
     20     -17.6099      1.00000
     21     -17.5773      1.00000
     22     -17.1364      1.00000
     23     -17.0967      1.00000
     24     -16.9649      1.00000
     25     -16.0072      1.00000
     26     -15.9227      1.00000
     27     -15.5978      1.00000
     28     -15.5744      1.00000
     29     -15.2797      1.00000
     30     -14.8756      1.00000
     31     -14.8288      1.00000
     32     -14.5739      1.00000
     33     -14.5363      1.00000
     34     -14.1635      1.00000
     35     -14.1594      1.00000
     36     -13.1611      1.00000
     37     -13.0948      1.00000
     38     -13.0223      1.00000
     39     -13.0180      1.00000
     40     -12.7171      1.00000
     41     -12.6939      1.00000
     42     -12.3398      1.00000
     43     -12.3126      1.00000
     44     -11.6313      1.00000
     45     -11.6223      1.00000
     46     -11.5697      1.00000
     47     -10.9403      1.00000
     48     -10.9223      1.00000
     49     -10.6681      1.00000
     50     -10.5889      1.00000
     51     -10.5721      1.00000
     52     -10.5006      1.00000
     53     -10.4878      1.00000
     54     -10.4379      1.00000
     55     -10.3551      1.00000
     56     -10.1027      1.00000
     57      -9.8967      1.00000
     58      -9.6075      1.00000
     59      -9.5504      1.00000
     60      -9.4532      1.00000
     61      -9.4181      1.00000
     62      -9.4084      1.00000
     63      -9.3785      1.00000
     64      -9.3709      1.00000
     65      -9.2665      1.00000
     66      -9.1653      1.00000
     67      -9.1411      1.00000
     68      -9.1157      1.00000
     69      -8.8655      1.00000
     70      -8.8596      1.00000
     71      -8.8014      1.00000
     72      -8.5955      1.00000
     73      -8.5258      1.00000
     74      -8.1930      1.00000
     75      -8.1700      1.00000
     76      -8.0749      1.00000
     77      -7.8564      1.00000
     78      -7.8363      1.00000
     79      -7.8226      1.00000
     80      -7.7100      1.00000
     81      -7.6955      1.00000
     82      -7.5966      1.00000
     83      -7.5298      1.00000
     84      -7.3495      1.00000
     85      -7.1679      1.00000
     86      -6.9053      1.00000
     87      -6.8949      1.00000
     88      -6.5915      1.00000
     89      -6.5509      1.00000
     90      -6.4048      1.00000
     91      -6.3013      1.00000
     92      -6.2466      1.00000
     93      -6.2015      1.00000
     94      -6.0034      1.00000
     95      -5.5309      1.00000
     96      -5.4654      1.00000
     97      -5.3136      1.00000
     98      -5.2091      1.00000
     99      -5.0459      1.00000
    100      -4.7226      1.00000
    101      -4.6713      1.00000
    102      -4.4235      1.00000
    103      -4.1944      1.00000
    104      -3.8425      1.00000
    105      -3.6338      1.00000
    106      -3.4160      1.00000
    107      -2.2929      0.00000
    108      -1.5098      0.00000
    109      -1.2702      0.00000
    110      -1.2622      0.00000
    111      -1.0346      0.00000
    112      -0.9766      0.00000
    113      -0.8679      0.00000
    114      -0.7995      0.00000
    115      -0.2615      0.00000
    116       0.2037      0.00000
    117       0.2392      0.00000
    118       0.3604      0.00000
    119       0.6974      0.00000
    120       0.8946      0.00000
    121       0.9240      0.00000
    122       1.0458      0.00000
    123       1.1735      0.00000
    124       1.5154      0.00000
    125       1.5747      0.00000
    126       1.7164      0.00000
    127       1.7796      0.00000
    128       1.8318      0.00000
    129       1.9579      0.00000
    130       2.0012      0.00000
    131       2.1778      0.00000
    132       2.2778      0.00000
    133       2.4273      0.00000
    134       2.4417      0.00000
    135       2.5070      0.00000
    136       2.6014      0.00000
    137       2.6182      0.00000
    138       2.7087      0.00000
    139       2.7674      0.00000
    140       2.8771      0.00000
    141       3.0464      0.00000
    142       3.0926      0.00000
    143       3.1856      0.00000
    144       3.2382      0.00000
    145       3.2447      0.00000
    146       3.3054      0.00000
    147       3.3683      0.00000
    148       3.4613      0.00000
    149       3.5339      0.00000
    150       3.6988      0.00000
    151       3.7189      0.00000
    152       3.7547      0.00000
    153       3.8358      0.00000
    154       3.8927      0.00000
    155       3.9441      0.00000
    156       3.9854      0.00000
    157       4.0066      0.00000
    158       4.0271      0.00000
    159       4.0480      0.00000
    160       4.0835      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3886      1.00000
      2     -21.8298      1.00000
      3     -21.6404      1.00000
      4     -21.6055      1.00000
      5     -21.2778      1.00000
      6     -21.2308      1.00000
      7     -21.0555      1.00000
      8     -20.1705      1.00000
      9     -20.1244      1.00000
     10     -19.6157      1.00000
     11     -19.5901      1.00000
     12     -19.4148      1.00000
     13     -19.0937      1.00000
     14     -19.0549      1.00000
     15     -19.0507      1.00000
     16     -19.0380      1.00000
     17     -18.3657      1.00000
     18     -18.3464      1.00000
     19     -18.0160      1.00000
     20     -17.0718      1.00000
     21     -17.0230      1.00000
     22     -16.9487      1.00000
     23     -16.9351      1.00000
     24     -16.4740      1.00000
     25     -16.4617      1.00000
     26     -15.6090      1.00000
     27     -15.6084      1.00000
     28     -15.2495      1.00000
     29     -15.2379      1.00000
     30     -15.1899      1.00000
     31     -15.0997      1.00000
     32     -15.0668      1.00000
     33     -14.6976      1.00000
     34     -14.6970      1.00000
     35     -13.7247      1.00000
     36     -13.7243      1.00000
     37     -13.2338      1.00000
     38     -12.6228      1.00000
     39     -12.5789      1.00000
     40     -12.4532      1.00000
     41     -12.4481      1.00000
     42     -12.1051      1.00000
     43     -12.1006      1.00000
     44     -11.7214      1.00000
     45     -11.6828      1.00000
     46     -11.2444      1.00000
     47     -11.2239      1.00000
     48     -11.0163      1.00000
     49     -11.0048      1.00000
     50     -10.9275      1.00000
     51     -10.8989      1.00000
     52     -10.6358      1.00000
     53     -10.1707      1.00000
     54     -10.1475      1.00000
     55     -10.0832      1.00000
     56      -9.9908      1.00000
     57      -9.6958      1.00000
     58      -9.6892      1.00000
     59      -9.6693      1.00000
     60      -9.5910      1.00000
     61      -9.5670      1.00000
     62      -9.5528      1.00000
     63      -9.3116      1.00000
     64      -9.2989      1.00000
     65      -9.2821      1.00000
     66      -9.2431      1.00000
     67      -9.1211      1.00000
     68      -9.1114      1.00000
     69      -9.1095      1.00000
     70      -8.9386      1.00000
     71      -8.8755      1.00000
     72      -8.6054      1.00000
     73      -8.5865      1.00000
     74      -8.2701      1.00000
     75      -8.0996      1.00000
     76      -7.8682      1.00000
     77      -7.8427      1.00000
     78      -7.7900      1.00000
     79      -7.7637      1.00000
     80      -7.7547      1.00000
     81      -7.4473      1.00000
     82      -7.3331      1.00000
     83      -7.3217      1.00000
     84      -7.2652      1.00000
     85      -7.1615      1.00000
     86      -7.0159      1.00000
     87      -6.9861      1.00000
     88      -6.7167      1.00000
     89      -6.6895      1.00000
     90      -6.6310      1.00000
     91      -6.5902      1.00000
     92      -6.1154      1.00000
     93      -6.0592      1.00000
     94      -6.0435      1.00000
     95      -6.0291      1.00000
     96      -5.7479      1.00000
     97      -4.9740      1.00000
     98      -4.8387      1.00000
     99      -4.7089      1.00000
    100      -4.6734      1.00000
    101      -4.4832      1.00000
    102      -4.3516      1.00000
    103      -4.1112      1.00000
    104      -4.0548      1.00000
    105      -3.7547      1.00000
    106      -3.4651      1.00000
    107      -1.9509      0.00000
    108      -1.7721      0.00000
    109      -1.4797      0.00000
    110      -1.3559      0.00000
    111      -1.3353      0.00000
    112      -1.2917      0.00000
    113      -0.6774      0.00000
    114      -0.4719      0.00000
    115      -0.2360      0.00000
    116       0.0516      0.00000
    117       0.5951      0.00000
    118       0.6918      0.00000
    119       0.7693      0.00000
    120       1.0237      0.00000
    121       1.0970      0.00000
    122       1.1795      0.00000
    123       1.2526      0.00000
    124       1.3409      0.00000
    125       1.4435      0.00000
    126       1.6131      0.00000
    127       1.7552      0.00000
    128       1.8455      0.00000
    129       1.8565      0.00000
    130       1.8912      0.00000
    131       2.0423      0.00000
    132       2.2243      0.00000
    133       2.2468      0.00000
    134       2.3017      0.00000
    135       2.4853      0.00000
    136       2.6169      0.00000
    137       2.6389      0.00000
    138       2.7709      0.00000
    139       2.7977      0.00000
    140       2.8362      0.00000
    141       2.8488      0.00000
    142       2.8514      0.00000
    143       2.9318      0.00000
    144       3.1056      0.00000
    145       3.3216      0.00000
    146       3.3496      0.00000
    147       3.3884      0.00000
    148       3.4114      0.00000
    149       3.4346      0.00000
    150       3.6027      0.00000
    151       3.6431      0.00000
    152       3.6878      0.00000
    153       3.7404      0.00000
    154       3.9040      0.00000
    155       3.9344      0.00000
    156       3.9584      0.00000
    157       4.1087      0.00000
    158       4.2135      0.00000
    159       4.2711      0.00000
    160       4.2894      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2087      1.00000
      2     -22.1179      1.00000
      3     -21.9556      1.00000
      4     -21.4036      1.00000
      5     -21.0451      1.00000
      6     -21.0167      1.00000
      7     -20.4951      1.00000
      8     -20.4650      1.00000
      9     -20.2851      1.00000
     10     -20.2833      1.00000
     11     -19.9557      1.00000
     12     -19.8926      1.00000
     13     -18.8824      1.00000
     14     -18.8149      1.00000
     15     -18.3370      1.00000
     16     -18.3176      1.00000
     17     -18.1482      1.00000
     18     -18.1407      1.00000
     19     -17.8151      1.00000
     20     -17.7967      1.00000
     21     -17.2571      1.00000
     22     -17.2376      1.00000
     23     -17.1601      1.00000
     24     -17.1345      1.00000
     25     -16.1141      1.00000
     26     -15.8800      1.00000
     27     -15.8689      1.00000
     28     -15.8394      1.00000
     29     -15.2311      1.00000
     30     -14.5504      1.00000
     31     -14.5318      1.00000
     32     -14.2759      1.00000
     33     -13.9733      1.00000
     34     -13.9499      1.00000
     35     -13.8235      1.00000
     36     -13.8012      1.00000
     37     -13.6039      1.00000
     38     -13.5783      1.00000
     39     -13.3687      1.00000
     40     -12.6368      1.00000
     41     -12.1689      1.00000
     42     -12.1421      1.00000
     43     -12.0677      1.00000
     44     -12.0207      1.00000
     45     -11.6635      1.00000
     46     -11.6587      1.00000
     47     -11.1362      1.00000
     48     -11.1253      1.00000
     49     -10.7904      1.00000
     50     -10.7340      1.00000
     51     -10.5344      1.00000
     52     -10.2072      1.00000
     53     -10.2011      1.00000
     54     -10.1693      1.00000
     55     -10.0214      1.00000
     56      -9.9930      1.00000
     57      -9.9889      1.00000
     58      -9.8039      1.00000
     59      -9.7948      1.00000
     60      -9.7637      1.00000
     61      -9.7560      1.00000
     62      -9.4544      1.00000
     63      -9.4163      1.00000
     64      -9.0834      1.00000
     65      -9.0447      1.00000
     66      -9.0244      1.00000
     67      -8.9706      1.00000
     68      -8.8969      1.00000
     69      -8.7072      1.00000
     70      -8.6980      1.00000
     71      -8.5605      1.00000
     72      -8.5494      1.00000
     73      -8.4770      1.00000
     74      -8.4595      1.00000
     75      -8.4562      1.00000
     76      -8.3074      1.00000
     77      -8.0943      1.00000
     78      -8.0882      1.00000
     79      -7.9245      1.00000
     80      -7.8309      1.00000
     81      -7.5999      1.00000
     82      -7.5382      1.00000
     83      -7.4429      1.00000
     84      -7.3149      1.00000
     85      -6.9919      1.00000
     86      -6.9178      1.00000
     87      -6.8799      1.00000
     88      -6.5290      1.00000
     89      -6.5143      1.00000
     90      -6.4811      1.00000
     91      -6.4195      1.00000
     92      -5.9264      1.00000
     93      -5.9052      1.00000
     94      -5.7881      1.00000
     95      -5.7740      1.00000
     96      -5.3692      1.00000
     97      -5.3623      1.00000
     98      -5.2206      1.00000
     99      -5.2146      1.00000
    100      -5.1977      1.00000
    101      -4.7194      1.00000
    102      -4.4419      1.00000
    103      -4.1906      1.00000
    104      -3.8202      1.00000
    105      -3.5649      1.00000
    106      -3.2207      1.00000
    107      -2.5632      0.00000
    108      -1.4638      0.00000
    109      -1.2657      0.00000
    110      -1.1859      0.00000
    111      -1.1843      0.00000
    112      -0.6445      0.00000
    113      -0.5510      0.00000
    114      -0.4149      0.00000
    115      -0.3479      0.00000
    116      -0.0772      0.00000
    117      -0.0627      0.00000
    118       0.1263      0.00000
    119       0.5922      0.00000
    120       0.6264      0.00000
    121       0.8621      0.00000
    122       0.9934      0.00000
    123       1.0091      0.00000
    124       1.4997      0.00000
    125       1.6923      0.00000
    126       1.7872      0.00000
    127       1.8748      0.00000
    128       2.1211      0.00000
    129       2.1272      0.00000
    130       2.1835      0.00000
    131       2.2095      0.00000
    132       2.2513      0.00000
    133       2.3417      0.00000
    134       2.4965      0.00000
    135       2.5015      0.00000
    136       2.6764      0.00000
    137       2.8527      0.00000
    138       2.8612      0.00000
    139       2.9627      0.00000
    140       3.0196      0.00000
    141       3.0531      0.00000
    142       3.1438      0.00000
    143       3.1732      0.00000
    144       3.2514      0.00000
    145       3.2631      0.00000
    146       3.2845      0.00000
    147       3.3092      0.00000
    148       3.3612      0.00000
    149       3.4274      0.00000
    150       3.5596      0.00000
    151       3.5735      0.00000
    152       3.6562      0.00000
    153       3.6653      0.00000
    154       3.6850      0.00000
    155       3.7167      0.00000
    156       3.9044      0.00000
    157       3.9714      0.00000
    158       4.0499      0.00000
    159       4.0941      0.00000
    160       4.2011      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2822      1.00000
      2     -22.0776      1.00000
      3     -21.7192      1.00000
      4     -21.6801      1.00000
      5     -20.9818      1.00000
      6     -20.9341      1.00000
      7     -20.6104      1.00000
      8     -20.5781      1.00000
      9     -20.5646      1.00000
     10     -20.0313      1.00000
     11     -19.5121      1.00000
     12     -19.4827      1.00000
     13     -19.3103      1.00000
     14     -19.2976      1.00000
     15     -18.4488      1.00000
     16     -18.4057      1.00000
     17     -17.9265      1.00000
     18     -17.9065      1.00000
     19     -17.7652      1.00000
     20     -17.7202      1.00000
     21     -17.4405      1.00000
     22     -17.4224      1.00000
     23     -17.3379      1.00000
     24     -16.4702      1.00000
     25     -16.4595      1.00000
     26     -15.9684      1.00000
     27     -15.4103      1.00000
     28     -15.4095      1.00000
     29     -15.0955      1.00000
     30     -15.0921      1.00000
     31     -14.8529      1.00000
     32     -14.8412      1.00000
     33     -14.2962      1.00000
     34     -14.2527      1.00000
     35     -13.4428      1.00000
     36     -13.3991      1.00000
     37     -13.1746      1.00000
     38     -13.1736      1.00000
     39     -12.9837      1.00000
     40     -12.9750      1.00000
     41     -12.6104      1.00000
     42     -12.6087      1.00000
     43     -12.1953      1.00000
     44     -11.5794      1.00000
     45     -11.5382      1.00000
     46     -11.3132      1.00000
     47     -11.2829      1.00000
     48     -11.1405      1.00000
     49     -10.6916      1.00000
     50     -10.6625      1.00000
     51     -10.5459      1.00000
     52     -10.3210      1.00000
     53     -10.3134      1.00000
     54     -10.1745      1.00000
     55     -10.1210      1.00000
     56     -10.1074      1.00000
     57      -9.8103      1.00000
     58      -9.7510      1.00000
     59      -9.7507      1.00000
     60      -9.7008      1.00000
     61      -9.6971      1.00000
     62      -9.6456      1.00000
     63      -9.3515      1.00000
     64      -9.3497      1.00000
     65      -9.3180      1.00000
     66      -9.0268      1.00000
     67      -8.9608      1.00000
     68      -8.9570      1.00000
     69      -8.7743      1.00000
     70      -8.5920      1.00000
     71      -8.5873      1.00000
     72      -8.4228      1.00000
     73      -8.3487      1.00000
     74      -8.3227      1.00000
     75      -8.3015      1.00000
     76      -8.2659      1.00000
     77      -8.2548      1.00000
     78      -8.2395      1.00000
     79      -7.9206      1.00000
     80      -7.7334      1.00000
     81      -7.3774      1.00000
     82      -7.3480      1.00000
     83      -7.3239      1.00000
     84      -7.2156      1.00000
     85      -7.1594      1.00000
     86      -7.0641      1.00000
     87      -6.9597      1.00000
     88      -6.9041      1.00000
     89      -6.6148      1.00000
     90      -6.5545      1.00000
     91      -6.2725      1.00000
     92      -5.9962      1.00000
     93      -5.9589      1.00000
     94      -5.6742      1.00000
     95      -5.6478      1.00000
     96      -5.3873      1.00000
     97      -5.3151      1.00000
     98      -5.2934      1.00000
     99      -5.2112      1.00000
    100      -5.1997      1.00000
    101      -4.5111      1.00000
    102      -4.3382      1.00000
    103      -3.9957      1.00000
    104      -3.8851      1.00000
    105      -3.7925      1.00000
    106      -3.4430      1.00000
    107      -2.0349      0.00000
    108      -1.8645      0.00000
    109      -1.2179      0.00000
    110      -1.1826      0.00000
    111      -1.0363      0.00000
    112      -0.7727      0.00000
    113      -0.6767      0.00000
    114      -0.6603      0.00000
    115      -0.6090      0.00000
    116      -0.1012      0.00000
    117       0.2228      0.00000
    118       0.2402      0.00000
    119       0.7774      0.00000
    120       0.9903      0.00000
    121       1.0750      0.00000
    122       1.2423      0.00000
    123       1.2523      0.00000
    124       1.3474      0.00000
    125       1.5814      0.00000
    126       1.5846      0.00000
    127       1.7179      0.00000
    128       1.7996      0.00000
    129       1.9571      0.00000
    130       1.9807      0.00000
    131       2.0640      0.00000
    132       2.2736      0.00000
    133       2.3425      0.00000
    134       2.4275      0.00000
    135       2.5550      0.00000
    136       2.6351      0.00000
    137       2.7436      0.00000
    138       2.8099      0.00000
    139       2.8525      0.00000
    140       2.8759      0.00000
    141       3.0555      0.00000
    142       3.1098      0.00000
    143       3.1672      0.00000
    144       3.2307      0.00000
    145       3.3780      0.00000
    146       3.4194      0.00000
    147       3.5164      0.00000
    148       3.5652      0.00000
    149       3.5927      0.00000
    150       3.6168      0.00000
    151       3.6598      0.00000
    152       3.7423      0.00000
    153       3.7546      0.00000
    154       3.7727      0.00000
    155       3.7948      0.00000
    156       3.8775      0.00000
    157       4.0240      0.00000
    158       4.0980      0.00000
    159       4.1803      0.00000
    160       4.2239      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4253      1.00000
      2     -21.6021      1.00000
      3     -21.4804      1.00000
      4     -21.4714      1.00000
      5     -21.4398      1.00000
      6     -21.4390      1.00000
      7     -21.4288      1.00000
      8     -19.7063      1.00000
      9     -19.6518      1.00000
     10     -19.6287      1.00000
     11     -19.6172      1.00000
     12     -19.6119      1.00000
     13     -19.6111      1.00000
     14     -18.7885      1.00000
     15     -18.7538      1.00000
     16     -18.7340      1.00000
     17     -18.7248      1.00000
     18     -18.7172      1.00000
     19     -18.7117      1.00000
     20     -16.6339      1.00000
     21     -16.6090      1.00000
     22     -16.5841      1.00000
     23     -16.5800      1.00000
     24     -16.5539      1.00000
     25     -16.5516      1.00000
     26     -15.6122      1.00000
     27     -15.6015      1.00000
     28     -15.5984      1.00000
     29     -15.5646      1.00000
     30     -15.5626      1.00000
     31     -15.5596      1.00000
     32     -14.2585      1.00000
     33     -14.2500      1.00000
     34     -14.2399      1.00000
     35     -14.2350      1.00000
     36     -14.2216      1.00000
     37     -14.2183      1.00000
     38     -11.9042      1.00000
     39     -11.8782      1.00000
     40     -11.8678      1.00000
     41     -11.8648      1.00000
     42     -11.8450      1.00000
     43     -11.8436      1.00000
     44     -11.7699      1.00000
     45     -11.7678      1.00000
     46     -11.7345      1.00000
     47     -11.7280      1.00000
     48     -11.7246      1.00000
     49     -11.7208      1.00000
     50     -10.6748      1.00000
     51     -10.3872      1.00000
     52     -10.3833      1.00000
     53     -10.3764      1.00000
     54     -10.3664      1.00000
     55     -10.3552      1.00000
     56     -10.3527      1.00000
     57      -9.9027      1.00000
     58      -9.4494      1.00000
     59      -9.4044      1.00000
     60      -9.3613      1.00000
     61      -9.3608      1.00000
     62      -9.3529      1.00000
     63      -9.1408      1.00000
     64      -9.1221      1.00000
     65      -9.1202      1.00000
     66      -9.0846      1.00000
     67      -9.0704      1.00000
     68      -9.0698      1.00000
     69      -9.0697      1.00000
     70      -9.0642      1.00000
     71      -9.0630      1.00000
     72      -9.0384      1.00000
     73      -9.0283      1.00000
     74      -9.0248      1.00000
     75      -8.1291      1.00000
     76      -7.7458      1.00000
     77      -7.4689      1.00000
     78      -7.4649      1.00000
     79      -7.4539      1.00000
     80      -7.4334      1.00000
     81      -7.4233      1.00000
     82      -7.4062      1.00000
     83      -7.3119      1.00000
     84      -7.2701      1.00000
     85      -7.2562      1.00000
     86      -7.2480      1.00000
     87      -7.1497      1.00000
     88      -7.0493      1.00000
     89      -6.4451      1.00000
     90      -6.4149      1.00000
     91      -6.3995      1.00000
     92      -6.3630      1.00000
     93      -6.3521      1.00000
     94      -6.3403      1.00000
     95      -5.9600      1.00000
     96      -5.9559      1.00000
     97      -4.8056      1.00000
     98      -4.5437      1.00000
     99      -4.4818      1.00000
    100      -4.4732      1.00000
    101      -4.3823      1.00000
    102      -4.3808      1.00000
    103      -4.2672      1.00000
    104      -4.1868      1.00000
    105      -3.7391      1.00000
    106      -3.4773      1.00000
    107      -1.8622      0.00000
    108      -1.6693      0.00000
    109      -1.6238      0.00000
    110      -1.5923      0.00000
    111      -1.5753      0.00000
    112      -1.5753      0.00000
    113      -0.4287      0.00000
    114       0.1467      0.00000
    115       0.1914      0.00000
    116       0.2551      0.00000
    117       0.2681      0.00000
    118       0.2707      0.00000
    119       0.4767      0.00000
    120       0.5560      0.00000
    121       1.2577      0.00000
    122       1.2920      0.00000
    123       1.5492      0.00000
    124       1.7785      0.00000
    125       1.7787      0.00000
    126       1.7822      0.00000
    127       1.7824      0.00000
    128       1.8321      0.00000
    129       1.9576      0.00000
    130       1.9718      0.00000
    131       1.9742      0.00000
    132       1.9879      0.00000
    133       1.9959      0.00000
    134       2.0863      0.00000
    135       2.2639      0.00000
    136       2.3442      0.00000
    137       2.6312      0.00000
    138       2.6320      0.00000
    139       2.6621      0.00000
    140       2.7260      0.00000
    141       2.9457      0.00000
    142       3.0320      0.00000
    143       3.0414      0.00000
    144       3.0727      0.00000
    145       3.0740      0.00000
    146       3.0779      0.00000
    147       3.0996      0.00000
    148       3.2870      0.00000
    149       3.4529      0.00000
    150       3.5204      0.00000
    151       3.8262      0.00000
    152       3.9632      0.00000
    153       3.9761      0.00000
    154       3.9784      0.00000
    155       3.9850      0.00000
    156       4.0040      0.00000
    157       4.1913      0.00000
    158       4.2664      0.00000
    159       4.2764      0.00000
    160       4.2880      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3886      1.00000
      2     -21.8295      1.00000
      3     -21.6372      1.00000
      4     -21.6094      1.00000
      5     -21.2737      1.00000
      6     -21.2343      1.00000
      7     -21.0559      1.00000
      8     -20.1667      1.00000
      9     -20.1285      1.00000
     10     -19.6075      1.00000
     11     -19.5967      1.00000
     12     -19.4162      1.00000
     13     -19.0886      1.00000
     14     -19.0591      1.00000
     15     -19.0481      1.00000
     16     -19.0405      1.00000
     17     -18.3597      1.00000
     18     -18.3515      1.00000
     19     -18.0182      1.00000
     20     -17.0683      1.00000
     21     -17.0296      1.00000
     22     -16.9430      1.00000
     23     -16.9396      1.00000
     24     -16.4671      1.00000
     25     -16.4629      1.00000
     26     -15.6120      1.00000
     27     -15.6070      1.00000
     28     -15.2510      1.00000
     29     -15.2429      1.00000
     30     -15.1843      1.00000
     31     -15.0975      1.00000
     32     -15.0708      1.00000
     33     -14.6975      1.00000
     34     -14.6956      1.00000
     35     -13.7256      1.00000
     36     -13.7229      1.00000
     37     -13.2354      1.00000
     38     -12.6138      1.00000
     39     -12.5841      1.00000
     40     -12.4536      1.00000
     41     -12.4497      1.00000
     42     -12.1083      1.00000
     43     -12.1036      1.00000
     44     -11.7159      1.00000
     45     -11.6850      1.00000
     46     -11.2340      1.00000
     47     -11.2264      1.00000
     48     -11.0171      1.00000
     49     -11.0091      1.00000
     50     -10.9251      1.00000
     51     -10.9041      1.00000
     52     -10.6297      1.00000
     53     -10.1551      1.00000
     54     -10.1501      1.00000
     55     -10.0917      1.00000
     56      -9.9974      1.00000
     57      -9.7009      1.00000
     58      -9.6951      1.00000
     59      -9.6547      1.00000
     60      -9.5913      1.00000
     61      -9.5754      1.00000
     62      -9.5581      1.00000
     63      -9.3069      1.00000
     64      -9.3025      1.00000
     65      -9.2730      1.00000
     66      -9.2353      1.00000
     67      -9.1357      1.00000
     68      -9.1154      1.00000
     69      -9.1101      1.00000
     70      -8.9386      1.00000
     71      -8.8709      1.00000
     72      -8.6036      1.00000
     73      -8.5898      1.00000
     74      -8.2356      1.00000
     75      -8.1008      1.00000
     76      -7.9125      1.00000
     77      -7.8626      1.00000
     78      -7.7715      1.00000
     79      -7.7563      1.00000
     80      -7.6914      1.00000
     81      -7.5604      1.00000
     82      -7.3390      1.00000
     83      -7.3227      1.00000
     84      -7.2035      1.00000
     85      -7.1230      1.00000
     86      -7.0314      1.00000
     87      -7.0110      1.00000
     88      -6.7035      1.00000
     89      -6.6773      1.00000
     90      -6.6402      1.00000
     91      -6.5973      1.00000
     92      -6.1167      1.00000
     93      -6.0611      1.00000
     94      -6.0299      1.00000
     95      -6.0112      1.00000
     96      -5.7823      1.00000
     97      -4.9736      1.00000
     98      -4.8319      1.00000
     99      -4.7465      1.00000
    100      -4.6784      1.00000
    101      -4.4683      1.00000
    102      -4.2032      1.00000
    103      -4.1721      1.00000
    104      -4.1274      1.00000
    105      -3.7294      1.00000
    106      -3.4875      1.00000
    107      -1.8705      0.00000
    108      -1.8077      0.00000
    109      -1.5248      0.00000
    110      -1.3766      0.00000
    111      -1.3218      0.00000
    112      -1.2886      0.00000
    113      -0.7204      0.00000
    114      -0.3762      0.00000
    115      -0.2491      0.00000
    116       0.0370      0.00000
    117       0.5620      0.00000
    118       0.7003      0.00000
    119       0.7463      0.00000
    120       1.0490      0.00000
    121       1.0989      0.00000
    122       1.1535      0.00000
    123       1.2284      0.00000
    124       1.3851      0.00000
    125       1.5304      0.00000
    126       1.5972      0.00000
    127       1.7197      0.00000
    128       1.8033      0.00000
    129       1.8571      0.00000
    130       1.8827      0.00000
    131       2.0997      0.00000
    132       2.1990      0.00000
    133       2.2468      0.00000
    134       2.3189      0.00000
    135       2.5241      0.00000
    136       2.6053      0.00000
    137       2.6224      0.00000
    138       2.7859      0.00000
    139       2.7979      0.00000
    140       2.8254      0.00000
    141       2.8382      0.00000
    142       2.9054      0.00000
    143       2.9360      0.00000
    144       3.0999      0.00000
    145       3.1668      0.00000
    146       3.3248      0.00000
    147       3.3624      0.00000
    148       3.4104      0.00000
    149       3.4767      0.00000
    150       3.6152      0.00000
    151       3.6466      0.00000
    152       3.6735      0.00000
    153       3.7202      0.00000
    154       3.9245      0.00000
    155       3.9659      0.00000
    156       4.0250      0.00000
    157       4.0707      0.00000
    158       4.2515      0.00000
    159       4.2613      0.00000
    160       4.2830      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2826      1.00000
      2     -22.0770      1.00000
      3     -21.7157      1.00000
      4     -21.6838      1.00000
      5     -20.9785      1.00000
      6     -20.9379      1.00000
      7     -20.6109      1.00000
      8     -20.5744      1.00000
      9     -20.5679      1.00000
     10     -20.0317      1.00000
     11     -19.5023      1.00000
     12     -19.4909      1.00000
     13     -19.3058      1.00000
     14     -19.3008      1.00000
     15     -18.4468      1.00000
     16     -18.4101      1.00000
     17     -17.9214      1.00000
     18     -17.9122      1.00000
     19     -17.7608      1.00000
     20     -17.7250      1.00000
     21     -17.4350      1.00000
     22     -17.4279      1.00000
     23     -17.3400      1.00000
     24     -16.4622      1.00000
     25     -16.4610      1.00000
     26     -15.9666      1.00000
     27     -15.4125      1.00000
     28     -15.4084      1.00000
     29     -15.0950      1.00000
     30     -15.0926      1.00000
     31     -14.8538      1.00000
     32     -14.8466      1.00000
     33     -14.2899      1.00000
     34     -14.2572      1.00000
     35     -13.4363      1.00000
     36     -13.4040      1.00000
     37     -13.1766      1.00000
     38     -13.1731      1.00000
     39     -12.9810      1.00000
     40     -12.9762      1.00000
     41     -12.6122      1.00000
     42     -12.6087      1.00000
     43     -12.1975      1.00000
     44     -11.5752      1.00000
     45     -11.5414      1.00000
     46     -11.3092      1.00000
     47     -11.2866      1.00000
     48     -11.1419      1.00000
     49     -10.6754      1.00000
     50     -10.6604      1.00000
     51     -10.5519      1.00000
     52     -10.3233      1.00000
     53     -10.3166      1.00000
     54     -10.1682      1.00000
     55     -10.1155      1.00000
     56     -10.1114      1.00000
     57      -9.7971      1.00000
     58      -9.7651      1.00000
     59      -9.7509      1.00000
     60      -9.6988      1.00000
     61      -9.6971      1.00000
     62      -9.6610      1.00000
     63      -9.3547      1.00000
     64      -9.3502      1.00000
     65      -9.3142      1.00000
     66      -9.0399      1.00000
     67      -8.9625      1.00000
     68      -8.9477      1.00000
     69      -8.7985      1.00000
     70      -8.5936      1.00000
     71      -8.5566      1.00000
     72      -8.3975      1.00000
     73      -8.3638      1.00000
     74      -8.3236      1.00000
     75      -8.3062      1.00000
     76      -8.2583      1.00000
     77      -8.2559      1.00000
     78      -8.2352      1.00000
     79      -7.9039      1.00000
     80      -7.6506      1.00000
     81      -7.5492      1.00000
     82      -7.3867      1.00000
     83      -7.3497      1.00000
     84      -7.2313      1.00000
     85      -7.0957      1.00000
     86      -7.0383      1.00000
     87      -6.9330      1.00000
     88      -6.8480      1.00000
     89      -6.6112      1.00000
     90      -6.5594      1.00000
     91      -6.2684      1.00000
     92      -6.0429      1.00000
     93      -5.9507      1.00000
     94      -5.6617      1.00000
     95      -5.6225      1.00000
     96      -5.4623      1.00000
     97      -5.3189      1.00000
     98      -5.2781      1.00000
     99      -5.2128      1.00000
    100      -5.1938      1.00000
    101      -4.5080      1.00000
    102      -4.2074      1.00000
    103      -4.0589      1.00000
    104      -3.9892      1.00000
    105      -3.6942      1.00000
    106      -3.4977      1.00000
    107      -1.9459      0.00000
    108      -1.8956      0.00000
    109      -1.3395      0.00000
    110      -1.0852      0.00000
    111      -1.0573      0.00000
    112      -0.8007      0.00000
    113      -0.6765      0.00000
    114      -0.6473      0.00000
    115      -0.6079      0.00000
    116      -0.1080      0.00000
    117       0.2149      0.00000
    118       0.3289      0.00000
    119       0.7010      0.00000
    120       0.8934      0.00000
    121       1.1291      0.00000
    122       1.1992      0.00000
    123       1.3331      0.00000
    124       1.4289      0.00000
    125       1.5570      0.00000
    126       1.5776      0.00000
    127       1.6928      0.00000
    128       1.8114      0.00000
    129       1.8895      0.00000
    130       2.0627      0.00000
    131       2.1119      0.00000
    132       2.3107      0.00000
    133       2.3544      0.00000
    134       2.4094      0.00000
    135       2.5613      0.00000
    136       2.6367      0.00000
    137       2.7346      0.00000
    138       2.7392      0.00000
    139       2.8075      0.00000
    140       2.8904      0.00000
    141       3.0565      0.00000
    142       3.0669      0.00000
    143       3.1770      0.00000
    144       3.2734      0.00000
    145       3.3683      0.00000
    146       3.4237      0.00000
    147       3.4446      0.00000
    148       3.5706      0.00000
    149       3.5892      0.00000
    150       3.6129      0.00000
    151       3.6630      0.00000
    152       3.6828      0.00000
    153       3.7775      0.00000
    154       3.7881      0.00000
    155       3.8105      0.00000
    156       3.8952      0.00000
    157       3.9339      0.00000
    158       3.9983      0.00000
    159       4.2236      0.00000
    160       4.2308      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3166      1.00000
      2     -21.9619      1.00000
      3     -21.8927      1.00000
      4     -21.3800      1.00000
      5     -21.3507      1.00000
      6     -20.8388      1.00000
      7     -20.7735      1.00000
      8     -20.6232      1.00000
      9     -20.0767      1.00000
     10     -20.0711      1.00000
     11     -19.7160      1.00000
     12     -19.6914      1.00000
     13     -18.9955      1.00000
     14     -18.9898      1.00000
     15     -18.6399      1.00000
     16     -18.6237      1.00000
     17     -18.4614      1.00000
     18     -17.6745      1.00000
     19     -17.6240      1.00000
     20     -17.6213      1.00000
     21     -17.5794      1.00000
     22     -17.1260      1.00000
     23     -17.1041      1.00000
     24     -16.9620      1.00000
     25     -16.0018      1.00000
     26     -15.9272      1.00000
     27     -15.5852      1.00000
     28     -15.5851      1.00000
     29     -15.2849      1.00000
     30     -14.8639      1.00000
     31     -14.8364      1.00000
     32     -14.5784      1.00000
     33     -14.5365      1.00000
     34     -14.1671      1.00000
     35     -14.1537      1.00000
     36     -13.1485      1.00000
     37     -13.1002      1.00000
     38     -13.0292      1.00000
     39     -13.0190      1.00000
     40     -12.7087      1.00000
     41     -12.7047      1.00000
     42     -12.3405      1.00000
     43     -12.3092      1.00000
     44     -11.6345      1.00000
     45     -11.6209      1.00000
     46     -11.5700      1.00000
     47     -10.9481      1.00000
     48     -10.9151      1.00000
     49     -10.6320      1.00000
     50     -10.6249      1.00000
     51     -10.5467      1.00000
     52     -10.4987      1.00000
     53     -10.4984      1.00000
     54     -10.4405      1.00000
     55     -10.3605      1.00000
     56     -10.0983      1.00000
     57      -9.9025      1.00000
     58      -9.6089      1.00000
     59      -9.5564      1.00000
     60      -9.4515      1.00000
     61      -9.4110      1.00000
     62      -9.4044      1.00000
     63      -9.3772      1.00000
     64      -9.3771      1.00000
     65      -9.2864      1.00000
     66      -9.1669      1.00000
     67      -9.1417      1.00000
     68      -9.1127      1.00000
     69      -8.8636      1.00000
     70      -8.8561      1.00000
     71      -8.8142      1.00000
     72      -8.5959      1.00000
     73      -8.4789      1.00000
     74      -8.1974      1.00000
     75      -8.1621      1.00000
     76      -8.0081      1.00000
     77      -7.9633      1.00000
     78      -7.8515      1.00000
     79      -7.8410      1.00000
     80      -7.7038      1.00000
     81      -7.6970      1.00000
     82      -7.6215      1.00000
     83      -7.4483      1.00000
     84      -7.2999      1.00000
     85      -7.2530      1.00000
     86      -6.9056      1.00000
     87      -6.8920      1.00000
     88      -6.5879      1.00000
     89      -6.5506      1.00000
     90      -6.4079      1.00000
     91      -6.2530      1.00000
     92      -6.2327      1.00000
     93      -6.2030      1.00000
     94      -6.0220      1.00000
     95      -5.5490      1.00000
     96      -5.4878      1.00000
     97      -5.3493      1.00000
     98      -5.2187      1.00000
     99      -4.9798      1.00000
    100      -4.7318      1.00000
    101      -4.6775      1.00000
    102      -4.3871      1.00000
    103      -4.2027      1.00000
    104      -3.8708      1.00000
    105      -3.5468      1.00000
    106      -3.5097      1.00000
    107      -2.2551      0.00000
    108      -1.4566      0.00000
    109      -1.3699      0.00000
    110      -1.2415      0.00000
    111      -1.0985      0.00000
    112      -0.9458      0.00000
    113      -0.8645      0.00000
    114      -0.8040      0.00000
    115      -0.1391      0.00000
    116       0.1120      0.00000
    117       0.2411      0.00000
    118       0.3770      0.00000
    119       0.6590      0.00000
    120       0.8363      0.00000
    121       0.9365      0.00000
    122       1.0692      0.00000
    123       1.2412      0.00000
    124       1.4527      0.00000
    125       1.5671      0.00000
    126       1.7660      0.00000
    127       1.7932      0.00000
    128       1.8684      0.00000
    129       1.9857      0.00000
    130       2.0451      0.00000
    131       2.1884      0.00000
    132       2.1902      0.00000
    133       2.4228      0.00000
    134       2.4352      0.00000
    135       2.5110      0.00000
    136       2.6046      0.00000
    137       2.6351      0.00000
    138       2.7045      0.00000
    139       2.7891      0.00000
    140       2.8485      0.00000
    141       2.9642      0.00000
    142       3.0941      0.00000
    143       3.1901      0.00000
    144       3.2120      0.00000
    145       3.2434      0.00000
    146       3.3321      0.00000
    147       3.3426      0.00000
    148       3.4749      0.00000
    149       3.5150      0.00000
    150       3.6990      0.00000
    151       3.7208      0.00000
    152       3.7301      0.00000
    153       3.8655      0.00000
    154       3.9103      0.00000
    155       3.9585      0.00000
    156       3.9818      0.00000
    157       4.0011      0.00000
    158       4.0359      0.00000
    159       4.0585      0.00000
    160       4.0715      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2096      1.00000
      2     -22.1166      1.00000
      3     -21.9559      1.00000
      4     -21.4035      1.00000
      5     -21.0489      1.00000
      6     -21.0130      1.00000
      7     -20.4998      1.00000
      8     -20.4604      1.00000
      9     -20.2941      1.00000
     10     -20.2748      1.00000
     11     -19.9567      1.00000
     12     -19.8910      1.00000
     13     -18.8817      1.00000
     14     -18.8130      1.00000
     15     -18.3520      1.00000
     16     -18.3060      1.00000
     17     -18.1524      1.00000
     18     -18.1351      1.00000
     19     -17.8259      1.00000
     20     -17.7885      1.00000
     21     -17.2511      1.00000
     22     -17.2415      1.00000
     23     -17.1639      1.00000
     24     -17.1323      1.00000
     25     -16.1097      1.00000
     26     -15.8841      1.00000
     27     -15.8694      1.00000
     28     -15.8339      1.00000
     29     -15.2356      1.00000
     30     -14.5542      1.00000
     31     -14.5265      1.00000
     32     -14.2794      1.00000
     33     -13.9636      1.00000
     34     -13.9560      1.00000
     35     -13.8201      1.00000
     36     -13.8045      1.00000
     37     -13.6138      1.00000
     38     -13.5701      1.00000
     39     -13.3691      1.00000
     40     -12.6340      1.00000
     41     -12.1801      1.00000
     42     -12.1323      1.00000
     43     -12.0708      1.00000
     44     -12.0187      1.00000
     45     -11.6696      1.00000
     46     -11.6561      1.00000
     47     -11.1384      1.00000
     48     -11.1179      1.00000
     49     -10.7936      1.00000
     50     -10.7301      1.00000
     51     -10.5276      1.00000
     52     -10.2090      1.00000
     53     -10.2045      1.00000
     54     -10.1636      1.00000
     55     -10.0176      1.00000
     56     -10.0034      1.00000
     57      -9.9900      1.00000
     58      -9.8007      1.00000
     59      -9.7973      1.00000
     60      -9.7623      1.00000
     61      -9.7574      1.00000
     62      -9.4536      1.00000
     63      -9.4163      1.00000
     64      -9.0795      1.00000
     65      -9.0726      1.00000
     66      -9.0402      1.00000
     67      -8.9543      1.00000
     68      -8.8763      1.00000
     69      -8.7119      1.00000
     70      -8.6995      1.00000
     71      -8.5649      1.00000
     72      -8.5420      1.00000
     73      -8.4983      1.00000
     74      -8.4631      1.00000
     75      -8.4515      1.00000
     76      -8.2595      1.00000
     77      -8.1246      1.00000
     78      -8.0424      1.00000
     79      -7.9161      1.00000
     80      -7.8624      1.00000
     81      -7.6141      1.00000
     82      -7.5477      1.00000
     83      -7.4894      1.00000
     84      -7.2683      1.00000
     85      -6.9960      1.00000
     86      -6.9234      1.00000
     87      -6.8827      1.00000
     88      -6.5314      1.00000
     89      -6.4861      1.00000
     90      -6.4606      1.00000
     91      -6.4097      1.00000
     92      -5.9829      1.00000
     93      -5.8967      1.00000
     94      -5.7836      1.00000
     95      -5.7593      1.00000
     96      -5.4311      1.00000
     97      -5.3287      1.00000
     98      -5.2292      1.00000
     99      -5.2167      1.00000
    100      -5.1886      1.00000
    101      -4.6917      1.00000
    102      -4.4212      1.00000
    103      -4.2093      1.00000
    104      -3.8339      1.00000
    105      -3.5287      1.00000
    106      -3.2743      1.00000
    107      -2.5305      0.00000
    108      -1.4584      0.00000
    109      -1.2660      0.00000
    110      -1.2029      0.00000
    111      -1.1721      0.00000
    112      -0.7199      0.00000
    113      -0.5037      0.00000
    114      -0.4124      0.00000
    115      -0.3392      0.00000
    116      -0.1463      0.00000
    117      -0.0034      0.00000
    118       0.1939      0.00000
    119       0.5621      0.00000
    120       0.6125      0.00000
    121       0.8023      0.00000
    122       0.9140      0.00000
    123       1.1401      0.00000
    124       1.5043      0.00000
    125       1.6433      0.00000
    126       1.8712      0.00000
    127       1.9374      0.00000
    128       2.1150      0.00000
    129       2.1248      0.00000
    130       2.1295      0.00000
    131       2.1754      0.00000
    132       2.2799      0.00000
    133       2.3262      0.00000
    134       2.4595      0.00000
    135       2.5792      0.00000
    136       2.6656      0.00000
    137       2.8610      0.00000
    138       2.8723      0.00000
    139       2.9018      0.00000
    140       3.0313      0.00000
    141       3.0376      0.00000
    142       3.1502      0.00000
    143       3.1623      0.00000
    144       3.2399      0.00000
    145       3.2810      0.00000
    146       3.2901      0.00000
    147       3.3065      0.00000
    148       3.3526      0.00000
    149       3.4335      0.00000
    150       3.4528      0.00000
    151       3.5621      0.00000
    152       3.6264      0.00000
    153       3.6866      0.00000
    154       3.7184      0.00000
    155       3.7850      0.00000
    156       3.9015      0.00000
    157       3.9519      0.00000
    158       4.0158      0.00000
    159       4.1499      0.00000
    160       4.2382      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3164      1.00000
      2     -21.9634      1.00000
      3     -21.8912      1.00000
      4     -21.3837      1.00000
      5     -21.3473      1.00000
      6     -20.8385      1.00000
      7     -20.7722      1.00000
      8     -20.6241      1.00000
      9     -20.0886      1.00000
     10     -20.0600      1.00000
     11     -19.7175      1.00000
     12     -19.6888      1.00000
     13     -19.0089      1.00000
     14     -18.9779      1.00000
     15     -18.6489      1.00000
     16     -18.6163      1.00000
     17     -18.4598      1.00000
     18     -17.6597      1.00000
     19     -17.6462      1.00000
     20     -17.6099      1.00000
     21     -17.5773      1.00000
     22     -17.1364      1.00000
     23     -17.0967      1.00000
     24     -16.9649      1.00000
     25     -16.0072      1.00000
     26     -15.9227      1.00000
     27     -15.5978      1.00000
     28     -15.5744      1.00000
     29     -15.2797      1.00000
     30     -14.8756      1.00000
     31     -14.8288      1.00000
     32     -14.5739      1.00000
     33     -14.5363      1.00000
     34     -14.1635      1.00000
     35     -14.1594      1.00000
     36     -13.1611      1.00000
     37     -13.0948      1.00000
     38     -13.0223      1.00000
     39     -13.0180      1.00000
     40     -12.7171      1.00000
     41     -12.6939      1.00000
     42     -12.3398      1.00000
     43     -12.3126      1.00000
     44     -11.6313      1.00000
     45     -11.6223      1.00000
     46     -11.5697      1.00000
     47     -10.9403      1.00000
     48     -10.9223      1.00000
     49     -10.6681      1.00000
     50     -10.5889      1.00000
     51     -10.5721      1.00000
     52     -10.5006      1.00000
     53     -10.4878      1.00000
     54     -10.4379      1.00000
     55     -10.3551      1.00000
     56     -10.1027      1.00000
     57      -9.8967      1.00000
     58      -9.6075      1.00000
     59      -9.5504      1.00000
     60      -9.4532      1.00000
     61      -9.4181      1.00000
     62      -9.4084      1.00000
     63      -9.3785      1.00000
     64      -9.3709      1.00000
     65      -9.2665      1.00000
     66      -9.1653      1.00000
     67      -9.1411      1.00000
     68      -9.1157      1.00000
     69      -8.8655      1.00000
     70      -8.8596      1.00000
     71      -8.8014      1.00000
     72      -8.5955      1.00000
     73      -8.5258      1.00000
     74      -8.1930      1.00000
     75      -8.1700      1.00000
     76      -8.0749      1.00000
     77      -7.8564      1.00000
     78      -7.8363      1.00000
     79      -7.8226      1.00000
     80      -7.7100      1.00000
     81      -7.6955      1.00000
     82      -7.5966      1.00000
     83      -7.5298      1.00000
     84      -7.3495      1.00000
     85      -7.1679      1.00000
     86      -6.9053      1.00000
     87      -6.8949      1.00000
     88      -6.5915      1.00000
     89      -6.5509      1.00000
     90      -6.4048      1.00000
     91      -6.3013      1.00000
     92      -6.2466      1.00000
     93      -6.2015      1.00000
     94      -6.0034      1.00000
     95      -5.5309      1.00000
     96      -5.4654      1.00000
     97      -5.3136      1.00000
     98      -5.2091      1.00000
     99      -5.0459      1.00000
    100      -4.7226      1.00000
    101      -4.6713      1.00000
    102      -4.4235      1.00000
    103      -4.1944      1.00000
    104      -3.8425      1.00000
    105      -3.6338      1.00000
    106      -3.4160      1.00000
    107      -2.2929      0.00000
    108      -1.5098      0.00000
    109      -1.2702      0.00000
    110      -1.2622      0.00000
    111      -1.0346      0.00000
    112      -0.9766      0.00000
    113      -0.8679      0.00000
    114      -0.7995      0.00000
    115      -0.2615      0.00000
    116       0.2037      0.00000
    117       0.2392      0.00000
    118       0.3604      0.00000
    119       0.6974      0.00000
    120       0.8946      0.00000
    121       0.9240      0.00000
    122       1.0458      0.00000
    123       1.1735      0.00000
    124       1.5154      0.00000
    125       1.5747      0.00000
    126       1.7164      0.00000
    127       1.7796      0.00000
    128       1.8318      0.00000
    129       1.9579      0.00000
    130       2.0012      0.00000
    131       2.1778      0.00000
    132       2.2778      0.00000
    133       2.4273      0.00000
    134       2.4417      0.00000
    135       2.5070      0.00000
    136       2.6014      0.00000
    137       2.6182      0.00000
    138       2.7087      0.00000
    139       2.7674      0.00000
    140       2.8771      0.00000
    141       3.0464      0.00000
    142       3.0926      0.00000
    143       3.1856      0.00000
    144       3.2382      0.00000
    145       3.2447      0.00000
    146       3.3054      0.00000
    147       3.3683      0.00000
    148       3.4613      0.00000
    149       3.5339      0.00000
    150       3.6989      0.00000
    151       3.7189      0.00000
    152       3.7547      0.00000
    153       3.8358      0.00000
    154       3.8927      0.00000
    155       3.9441      0.00000
    156       3.9854      0.00000
    157       4.0066      0.00000
    158       4.0271      0.00000
    159       4.0480      0.00000
    160       4.0835      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3886      1.00000
      2     -21.8298      1.00000
      3     -21.6404      1.00000
      4     -21.6055      1.00000
      5     -21.2778      1.00000
      6     -21.2308      1.00000
      7     -21.0555      1.00000
      8     -20.1705      1.00000
      9     -20.1244      1.00000
     10     -19.6157      1.00000
     11     -19.5901      1.00000
     12     -19.4148      1.00000
     13     -19.0937      1.00000
     14     -19.0549      1.00000
     15     -19.0507      1.00000
     16     -19.0380      1.00000
     17     -18.3657      1.00000
     18     -18.3464      1.00000
     19     -18.0160      1.00000
     20     -17.0718      1.00000
     21     -17.0230      1.00000
     22     -16.9487      1.00000
     23     -16.9351      1.00000
     24     -16.4740      1.00000
     25     -16.4617      1.00000
     26     -15.6090      1.00000
     27     -15.6084      1.00000
     28     -15.2495      1.00000
     29     -15.2379      1.00000
     30     -15.1899      1.00000
     31     -15.0997      1.00000
     32     -15.0668      1.00000
     33     -14.6976      1.00000
     34     -14.6970      1.00000
     35     -13.7247      1.00000
     36     -13.7243      1.00000
     37     -13.2338      1.00000
     38     -12.6228      1.00000
     39     -12.5789      1.00000
     40     -12.4532      1.00000
     41     -12.4481      1.00000
     42     -12.1051      1.00000
     43     -12.1006      1.00000
     44     -11.7214      1.00000
     45     -11.6828      1.00000
     46     -11.2444      1.00000
     47     -11.2239      1.00000
     48     -11.0163      1.00000
     49     -11.0048      1.00000
     50     -10.9275      1.00000
     51     -10.8989      1.00000
     52     -10.6358      1.00000
     53     -10.1707      1.00000
     54     -10.1475      1.00000
     55     -10.0832      1.00000
     56      -9.9908      1.00000
     57      -9.6958      1.00000
     58      -9.6892      1.00000
     59      -9.6693      1.00000
     60      -9.5910      1.00000
     61      -9.5670      1.00000
     62      -9.5528      1.00000
     63      -9.3116      1.00000
     64      -9.2989      1.00000
     65      -9.2821      1.00000
     66      -9.2431      1.00000
     67      -9.1211      1.00000
     68      -9.1114      1.00000
     69      -9.1095      1.00000
     70      -8.9386      1.00000
     71      -8.8755      1.00000
     72      -8.6054      1.00000
     73      -8.5865      1.00000
     74      -8.2701      1.00000
     75      -8.0996      1.00000
     76      -7.8682      1.00000
     77      -7.8427      1.00000
     78      -7.7900      1.00000
     79      -7.7637      1.00000
     80      -7.7547      1.00000
     81      -7.4473      1.00000
     82      -7.3331      1.00000
     83      -7.3217      1.00000
     84      -7.2652      1.00000
     85      -7.1615      1.00000
     86      -7.0159      1.00000
     87      -6.9861      1.00000
     88      -6.7167      1.00000
     89      -6.6895      1.00000
     90      -6.6310      1.00000
     91      -6.5902      1.00000
     92      -6.1154      1.00000
     93      -6.0592      1.00000
     94      -6.0435      1.00000
     95      -6.0291      1.00000
     96      -5.7479      1.00000
     97      -4.9740      1.00000
     98      -4.8387      1.00000
     99      -4.7089      1.00000
    100      -4.6734      1.00000
    101      -4.4832      1.00000
    102      -4.3516      1.00000
    103      -4.1112      1.00000
    104      -4.0548      1.00000
    105      -3.7547      1.00000
    106      -3.4651      1.00000
    107      -1.9509      0.00000
    108      -1.7721      0.00000
    109      -1.4797      0.00000
    110      -1.3559      0.00000
    111      -1.3353      0.00000
    112      -1.2917      0.00000
    113      -0.6774      0.00000
    114      -0.4719      0.00000
    115      -0.2360      0.00000
    116       0.0516      0.00000
    117       0.5951      0.00000
    118       0.6918      0.00000
    119       0.7693      0.00000
    120       1.0237      0.00000
    121       1.0970      0.00000
    122       1.1795      0.00000
    123       1.2526      0.00000
    124       1.3409      0.00000
    125       1.4435      0.00000
    126       1.6131      0.00000
    127       1.7552      0.00000
    128       1.8455      0.00000
    129       1.8565      0.00000
    130       1.8912      0.00000
    131       2.0423      0.00000
    132       2.2243      0.00000
    133       2.2468      0.00000
    134       2.3017      0.00000
    135       2.4853      0.00000
    136       2.6169      0.00000
    137       2.6389      0.00000
    138       2.7709      0.00000
    139       2.7977      0.00000
    140       2.8362      0.00000
    141       2.8488      0.00000
    142       2.8514      0.00000
    143       2.9318      0.00000
    144       3.1057      0.00000
    145       3.3216      0.00000
    146       3.3496      0.00000
    147       3.3884      0.00000
    148       3.4114      0.00000
    149       3.4346      0.00000
    150       3.6027      0.00000
    151       3.6431      0.00000
    152       3.6878      0.00000
    153       3.7404      0.00000
    154       3.9040      0.00000
    155       3.9344      0.00000
    156       3.9584      0.00000
    157       4.1087      0.00000
    158       4.2135      0.00000
    159       4.2711      0.00000
    160       4.2894      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2087      1.00000
      2     -22.1179      1.00000
      3     -21.9556      1.00000
      4     -21.4036      1.00000
      5     -21.0451      1.00000
      6     -21.0167      1.00000
      7     -20.4951      1.00000
      8     -20.4650      1.00000
      9     -20.2851      1.00000
     10     -20.2833      1.00000
     11     -19.9557      1.00000
     12     -19.8926      1.00000
     13     -18.8824      1.00000
     14     -18.8149      1.00000
     15     -18.3370      1.00000
     16     -18.3176      1.00000
     17     -18.1482      1.00000
     18     -18.1407      1.00000
     19     -17.8151      1.00000
     20     -17.7967      1.00000
     21     -17.2571      1.00000
     22     -17.2376      1.00000
     23     -17.1601      1.00000
     24     -17.1345      1.00000
     25     -16.1141      1.00000
     26     -15.8800      1.00000
     27     -15.8689      1.00000
     28     -15.8394      1.00000
     29     -15.2311      1.00000
     30     -14.5504      1.00000
     31     -14.5318      1.00000
     32     -14.2759      1.00000
     33     -13.9733      1.00000
     34     -13.9499      1.00000
     35     -13.8235      1.00000
     36     -13.8012      1.00000
     37     -13.6039      1.00000
     38     -13.5783      1.00000
     39     -13.3687      1.00000
     40     -12.6368      1.00000
     41     -12.1689      1.00000
     42     -12.1421      1.00000
     43     -12.0677      1.00000
     44     -12.0207      1.00000
     45     -11.6635      1.00000
     46     -11.6587      1.00000
     47     -11.1362      1.00000
     48     -11.1253      1.00000
     49     -10.7904      1.00000
     50     -10.7340      1.00000
     51     -10.5344      1.00000
     52     -10.2072      1.00000
     53     -10.2011      1.00000
     54     -10.1693      1.00000
     55     -10.0214      1.00000
     56      -9.9930      1.00000
     57      -9.9889      1.00000
     58      -9.8039      1.00000
     59      -9.7948      1.00000
     60      -9.7637      1.00000
     61      -9.7560      1.00000
     62      -9.4544      1.00000
     63      -9.4163      1.00000
     64      -9.0834      1.00000
     65      -9.0447      1.00000
     66      -9.0244      1.00000
     67      -8.9706      1.00000
     68      -8.8969      1.00000
     69      -8.7072      1.00000
     70      -8.6980      1.00000
     71      -8.5605      1.00000
     72      -8.5494      1.00000
     73      -8.4770      1.00000
     74      -8.4595      1.00000
     75      -8.4562      1.00000
     76      -8.3074      1.00000
     77      -8.0943      1.00000
     78      -8.0882      1.00000
     79      -7.9245      1.00000
     80      -7.8309      1.00000
     81      -7.5999      1.00000
     82      -7.5382      1.00000
     83      -7.4429      1.00000
     84      -7.3149      1.00000
     85      -6.9919      1.00000
     86      -6.9178      1.00000
     87      -6.8799      1.00000
     88      -6.5290      1.00000
     89      -6.5143      1.00000
     90      -6.4811      1.00000
     91      -6.4195      1.00000
     92      -5.9264      1.00000
     93      -5.9052      1.00000
     94      -5.7881      1.00000
     95      -5.7740      1.00000
     96      -5.3692      1.00000
     97      -5.3623      1.00000
     98      -5.2206      1.00000
     99      -5.2146      1.00000
    100      -5.1977      1.00000
    101      -4.7194      1.00000
    102      -4.4419      1.00000
    103      -4.1906      1.00000
    104      -3.8202      1.00000
    105      -3.5649      1.00000
    106      -3.2207      1.00000
    107      -2.5632      0.00000
    108      -1.4638      0.00000
    109      -1.2657      0.00000
    110      -1.1859      0.00000
    111      -1.1843      0.00000
    112      -0.6445      0.00000
    113      -0.5510      0.00000
    114      -0.4149      0.00000
    115      -0.3479      0.00000
    116      -0.0772      0.00000
    117      -0.0627      0.00000
    118       0.1263      0.00000
    119       0.5922      0.00000
    120       0.6264      0.00000
    121       0.8621      0.00000
    122       0.9934      0.00000
    123       1.0091      0.00000
    124       1.4997      0.00000
    125       1.6923      0.00000
    126       1.7872      0.00000
    127       1.8748      0.00000
    128       2.1211      0.00000
    129       2.1272      0.00000
    130       2.1835      0.00000
    131       2.2095      0.00000
    132       2.2513      0.00000
    133       2.3417      0.00000
    134       2.4965      0.00000
    135       2.5015      0.00000
    136       2.6764      0.00000
    137       2.8527      0.00000
    138       2.8612      0.00000
    139       2.9627      0.00000
    140       3.0196      0.00000
    141       3.0531      0.00000
    142       3.1438      0.00000
    143       3.1732      0.00000
    144       3.2514      0.00000
    145       3.2631      0.00000
    146       3.2845      0.00000
    147       3.3092      0.00000
    148       3.3612      0.00000
    149       3.4274      0.00000
    150       3.5596      0.00000
    151       3.5735      0.00000
    152       3.6562      0.00000
    153       3.6653      0.00000
    154       3.6850      0.00000
    155       3.7167      0.00000
    156       3.9044      0.00000
    157       3.9714      0.00000
    158       4.0499      0.00000
    159       4.0941      0.00000
    160       4.2011      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2822      1.00000
      2     -22.0776      1.00000
      3     -21.7192      1.00000
      4     -21.6801      1.00000
      5     -20.9818      1.00000
      6     -20.9341      1.00000
      7     -20.6104      1.00000
      8     -20.5781      1.00000
      9     -20.5646      1.00000
     10     -20.0313      1.00000
     11     -19.5121      1.00000
     12     -19.4827      1.00000
     13     -19.3103      1.00000
     14     -19.2976      1.00000
     15     -18.4488      1.00000
     16     -18.4057      1.00000
     17     -17.9265      1.00000
     18     -17.9065      1.00000
     19     -17.7652      1.00000
     20     -17.7202      1.00000
     21     -17.4405      1.00000
     22     -17.4224      1.00000
     23     -17.3379      1.00000
     24     -16.4702      1.00000
     25     -16.4595      1.00000
     26     -15.9684      1.00000
     27     -15.4103      1.00000
     28     -15.4095      1.00000
     29     -15.0955      1.00000
     30     -15.0921      1.00000
     31     -14.8529      1.00000
     32     -14.8412      1.00000
     33     -14.2962      1.00000
     34     -14.2527      1.00000
     35     -13.4428      1.00000
     36     -13.3991      1.00000
     37     -13.1746      1.00000
     38     -13.1736      1.00000
     39     -12.9837      1.00000
     40     -12.9750      1.00000
     41     -12.6104      1.00000
     42     -12.6087      1.00000
     43     -12.1953      1.00000
     44     -11.5794      1.00000
     45     -11.5382      1.00000
     46     -11.3132      1.00000
     47     -11.2829      1.00000
     48     -11.1405      1.00000
     49     -10.6916      1.00000
     50     -10.6625      1.00000
     51     -10.5459      1.00000
     52     -10.3210      1.00000
     53     -10.3134      1.00000
     54     -10.1745      1.00000
     55     -10.1210      1.00000
     56     -10.1074      1.00000
     57      -9.8103      1.00000
     58      -9.7510      1.00000
     59      -9.7507      1.00000
     60      -9.7008      1.00000
     61      -9.6971      1.00000
     62      -9.6456      1.00000
     63      -9.3515      1.00000
     64      -9.3497      1.00000
     65      -9.3180      1.00000
     66      -9.0268      1.00000
     67      -8.9608      1.00000
     68      -8.9570      1.00000
     69      -8.7743      1.00000
     70      -8.5920      1.00000
     71      -8.5873      1.00000
     72      -8.4228      1.00000
     73      -8.3487      1.00000
     74      -8.3227      1.00000
     75      -8.3015      1.00000
     76      -8.2659      1.00000
     77      -8.2548      1.00000
     78      -8.2395      1.00000
     79      -7.9206      1.00000
     80      -7.7334      1.00000
     81      -7.3774      1.00000
     82      -7.3480      1.00000
     83      -7.3239      1.00000
     84      -7.2156      1.00000
     85      -7.1594      1.00000
     86      -7.0641      1.00000
     87      -6.9597      1.00000
     88      -6.9041      1.00000
     89      -6.6148      1.00000
     90      -6.5545      1.00000
     91      -6.2725      1.00000
     92      -5.9962      1.00000
     93      -5.9589      1.00000
     94      -5.6742      1.00000
     95      -5.6478      1.00000
     96      -5.3873      1.00000
     97      -5.3151      1.00000
     98      -5.2934      1.00000
     99      -5.2112      1.00000
    100      -5.1997      1.00000
    101      -4.5111      1.00000
    102      -4.3382      1.00000
    103      -3.9957      1.00000
    104      -3.8851      1.00000
    105      -3.7925      1.00000
    106      -3.4430      1.00000
    107      -2.0349      0.00000
    108      -1.8645      0.00000
    109      -1.2179      0.00000
    110      -1.1826      0.00000
    111      -1.0363      0.00000
    112      -0.7727      0.00000
    113      -0.6767      0.00000
    114      -0.6603      0.00000
    115      -0.6090      0.00000
    116      -0.1012      0.00000
    117       0.2228      0.00000
    118       0.2402      0.00000
    119       0.7774      0.00000
    120       0.9903      0.00000
    121       1.0750      0.00000
    122       1.2423      0.00000
    123       1.2523      0.00000
    124       1.3474      0.00000
    125       1.5814      0.00000
    126       1.5846      0.00000
    127       1.7179      0.00000
    128       1.7996      0.00000
    129       1.9571      0.00000
    130       1.9807      0.00000
    131       2.0640      0.00000
    132       2.2736      0.00000
    133       2.3425      0.00000
    134       2.4275      0.00000
    135       2.5550      0.00000
    136       2.6351      0.00000
    137       2.7436      0.00000
    138       2.8099      0.00000
    139       2.8525      0.00000
    140       2.8759      0.00000
    141       3.0555      0.00000
    142       3.1098      0.00000
    143       3.1672      0.00000
    144       3.2307      0.00000
    145       3.3780      0.00000
    146       3.4194      0.00000
    147       3.5164      0.00000
    148       3.5652      0.00000
    149       3.5927      0.00000
    150       3.6168      0.00000
    151       3.6598      0.00000
    152       3.7423      0.00000
    153       3.7546      0.00000
    154       3.7727      0.00000
    155       3.7948      0.00000
    156       3.8775      0.00000
    157       4.0240      0.00000
    158       4.0980      0.00000
    159       4.1803      0.00000
    160       4.2239      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0429   -7.3906    4.1985   -1.2760   -0.2386   17.5927    0.1474   -0.5324    0.6339   -0.4650
x    -3.0919   -0.0374   -0.0632    0.0616   -0.0093   -2.9773   -0.0109   -0.0070    0.0049    0.0016
x    -0.0964    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0429    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0943   -0.0088    0.0374    0.0377
y    -0.0459   -3.2473   -0.5379   -0.1639   -1.1797   -0.6055
z   204.0429    1.1246   -0.2809    0.0410    0.0089    0.0617    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0776    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1508
z    -0.2824    0.1876   -0.0392    0.0470   -0.1053    0.0013
 total charge-density along one line
x   212.0000  -10.2207    6.1465   -2.0859   -0.4743   19.5103   -0.9959    0.4743   -0.0449   -0.1262
x    -2.6450   -0.0277   -0.0610    0.0845   -0.0533   -2.2246   -0.0249   -0.0026    0.0052    0.0021
x    -0.0895    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2207    6.1465   -2.0859   -0.4743   19.5104   -0.9959    0.4743   -0.0449   -0.1262
y    -2.6450   -0.0277   -0.0610    0.0845   -0.0533   -2.2246   -0.0249   -0.0026    0.0052    0.0021
y    -0.0895    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4901  189.2850 -170.3565  153.6385 -139.4252  125.4196 -110.1021   93.9509  -78.3336
z    64.1230  -51.4716   40.4093  -31.2080   24.1158  -18.9360   15.0239  -11.7115    8.7078   -6.1147
z     4.1263   -2.7560    1.8195   -1.1093    0.5385   -0.1262   -0.1115    0.2279   -0.3096    0.4005
z    -0.4770    0.4932   -0.4395    0.3543   -0.2857    0.2511   -0.2334    0.2086   -0.1707    0.1316
z    -0.1036    0.0880   -0.0768    0.0636   -0.0490    0.0373   -0.0308    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.312   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.052   0.000   0.302   0.000   0.028  -0.191  -0.030   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.312   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.052   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.312   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.585  -0.238   0.000   0.058   0.000   0.000
  0.000  -0.312   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.069   0.006
 -0.025   0.000   0.028   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.369  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.263   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.045   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.261   8.029   8.935
  2        0.521   0.027   0.000   0.549
  3        0.521   0.027   0.000   0.549
  4        0.864   1.783   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.781   0.000   2.645
 22        0.864   1.771   0.000   2.635
 23        0.864   1.781   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.646
 26        0.864   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.645
 33        0.864   1.782   0.000   2.646
 34        0.864   1.783   0.000   2.646
 35        0.864   1.781   0.000   2.645
 36        0.864   1.771   0.000   2.635
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.647
 40        0.863   1.785   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.867  89.422   8.029 142.319
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  114.15: CPU time   57.72
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  440.45: CPU time  220.97
    STRESS:  VPU time 1351.30: CPU time  680.14
    FORCOR:  VPU time    8.73: CPU time    8.73
    FORHAR:  VPU time    2.32: CPU time    2.31
    MIXING:  VPU time    0.18: CPU time    0.19
 d Force = 0.1571245E-04[ 0.580E-05, 0.256E-04]  d Energy = 0.1970234E-04-0.399E-05
 d Force = 0.8293362E+00[ 0.829E+00, 0.829E+00]  d Ewald  = 0.2274013E+01-0.144E+01


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726440 eV

  energy  without entropy=     -471.726440  energy(sigma->0) =     -471.726440
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40834.17  40789.39 -47532.78    -38.78      0.00      0.00
  Hartree  40258.97  40239.98 -39517.69    -16.44      0.00      0.00
  E(xc)     -779.43   -779.72   -807.36     -0.25      0.00      0.00
  Local   -83377.25 -83322.38  84365.27     47.52      0.00      0.00
  n-local   -216.80   -215.66   -203.37      0.71      0.00      0.00
  augment     20.06     22.05     17.82      1.72      0.00      0.00
  Kinetic   3162.36   3175.93   3583.91      3.40      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.25     -0.21     -0.27      0.03      0.00      0.00
  in kB       -0.15     -0.13     -0.16      0.02      0.00      0.00
  external pressure =       -0.15 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.346093101  0.000752901  0.000000000     0.080994432  0.046755639  0.000000000
    -6.172401162 10.692402792  0.000000000    -0.000005703  0.093521056  0.000000000
     0.000000000  0.000000000 19.983190138     0.000000000  0.000000000  0.050042060

  length of vectors
    12.346093124 12.346093048 19.983190138     0.093521055  0.093521056  0.050042060


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.474E-05 -.490E-04 -.951E+03   0.448E-05 -.278E-04 0.960E+03   0.339E-20 0.114E-23 -.871E+01   -.113E-07 0.132E-08 0.150E-01
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.892E+00 -.253E+01   0.253E-03 -.147E-03 -.115E-02
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.892E+00 -.253E+01   -.253E-03 0.147E-03 -.115E-02
   -.205E+01 0.119E+01 0.163E+02   0.206E+01 -.119E+01 -.162E+02   -.131E-02 0.755E-03 -.240E-01   0.362E-03 -.212E-03 0.459E-04
   0.615E+01 0.689E+01 0.194E+02   -.615E+01 -.691E+01 -.193E+02   0.231E-02 0.187E-01 -.274E-01   0.793E-03 -.248E-02 0.375E-03
   0.112E+02 0.509E+01 0.161E+02   -.112E+02 -.510E+01 -.161E+02   0.216E-01 0.638E-02 -.484E-01   0.152E-02 -.395E-03 0.975E-03
   0.470E+01 -.877E+00 0.126E+02   -.472E+01 0.885E+00 -.126E+02   0.165E-01 -.852E-02 -.175E-01   0.105E-02 -.596E-03 0.148E-02
   -.311E+01 -.252E+01 0.126E+02   0.311E+01 0.251E+01 -.126E+02   0.191E-02 0.169E-02 -.128E-01   0.180E-02 -.685E-03 0.549E-03
   0.627E+00 0.395E+01 0.126E+02   -.624E+00 -.395E+01 -.126E+02   -.504E-03 -.250E-02 -.128E-01   0.149E-02 -.122E-02 0.546E-03
   0.238E+01 0.188E+02 0.240E+02   -.238E+01 -.189E+02 -.240E+02   0.149E-02 0.104E+00 -.483E-01   0.222E-02 0.856E-04 0.131E-02
   0.227E+02 0.214E+02 0.423E+02   -.227E+02 -.216E+02 -.422E+02   0.783E-01 0.260E+00 -.604E-01   -.706E-03 -.238E-02 0.238E-02
   0.268E+02 -.342E+01 0.256E+02   -.271E+02 0.353E+01 -.256E+02   0.270E+00 -.110E+00 -.341E-01   0.492E-03 -.723E-03 0.148E-02
   0.913E+01 -.527E+01 0.136E+02   -.917E+01 0.530E+01 -.136E+02   0.441E-01 -.254E-01 -.128E-01   0.765E-03 -.448E-03 0.145E-03
   0.311E+01 -.363E+01 0.126E+02   -.312E+01 0.364E+01 -.126E+02   0.156E-01 -.100E-01 -.175E-01   0.104E-02 -.617E-03 0.147E-02
   -.593E+01 0.136E+02 0.161E+02   0.593E+01 -.137E+02 -.161E+02   -.408E-03 0.707E-01 -.516E-01   0.929E-03 -.519E-03 0.136E-02
   -.119E+02 0.362E+02 0.478E+02   0.119E+02 -.368E+02 -.481E+02   -.278E-01 0.611E+00 0.295E+00   0.250E-02 -.239E-02 0.208E-02
   0.236E+02 -.136E+02 0.940E+02   -.242E+02 0.140E+02 -.960E+02   0.641E+00 -.370E+00 0.205E+01   0.106E-02 -.615E-03 -.242E-03
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.230E+00 -.178E+00 -.341E-01   0.870E-03 -.729E-04 0.148E-02
   0.117E+01 -.122E+02 0.161E+02   -.117E+01 0.122E+02 -.161E+02   0.529E-02 -.219E-01 -.484E-01   0.110E-02 -.112E-02 0.970E-03
   -.416E+01 0.193E+01 0.116E+02   0.416E+01 -.194E+01 -.116E+02   0.156E-02 0.882E-02 -.436E-01   0.154E-02 -.803E-03 0.703E-03
   -.193E+02 0.111E+02 0.217E+02   0.193E+02 -.112E+02 -.217E+02   -.504E-01 0.291E-01 -.434E-01   0.103E-02 -.593E-03 0.510E-03
   -.373E+02 -.784E+01 0.478E+02   0.379E+02 0.812E+01 -.481E+02   -.543E+00 -.281E+00 0.295E+00   0.332E-02 -.965E-03 0.208E-02
   -.719E+01 -.303E+02 0.423E+02   0.738E+01 0.305E+02 -.422E+02   -.186E+00 -.198E+00 -.604E-01   0.171E-02 0.180E-02 0.238E-02
   -.289E+01 -.877E+01 0.194E+02   0.291E+01 0.878E+01 -.193E+02   -.150E-01 -.113E-01 -.274E-01   0.254E-02 0.550E-03 0.375E-03
   0.138E+01 -.796E+00 0.134E+02   -.138E+01 0.796E+00 -.134E+02   0.216E-02 -.125E-02 -.183E-01   0.926E-03 -.532E-03 0.124E-03
   -.376E+01 0.264E+01 0.116E+02   0.376E+01 -.263E+01 -.116E+02   -.686E-02 -.576E-02 -.436E-01   0.147E-02 -.927E-03 0.707E-03
   -.148E+02 -.168E+01 0.161E+02   0.148E+02 0.172E+01 -.161E+02   -.615E-01 -.350E-01 -.516E-01   0.916E-03 -.547E-03 0.137E-02
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.115E+02 -.240E+02   -.892E-01 -.532E-01 -.483E-01   0.104E-02 -.197E-02 0.132E-02
   0.289E+01 0.877E+01 0.194E+02   -.291E+01 -.878E+01 -.193E+02   0.150E-01 0.113E-01 -.274E-01   -.254E-02 -.550E-03 0.375E-03
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.115E+02 -.240E+02   0.892E-01 0.532E-01 -.483E-01   -.104E-02 0.197E-02 0.132E-02
   0.148E+02 0.168E+01 0.161E+02   -.148E+02 -.172E+01 -.161E+02   0.615E-01 0.350E-01 -.516E-01   -.916E-03 0.547E-03 0.137E-02
   0.376E+01 -.264E+01 0.116E+02   -.376E+01 0.264E+01 -.116E+02   0.686E-02 0.576E-02 -.436E-01   -.147E-02 0.927E-03 0.707E-03
   -.138E+01 0.796E+00 0.134E+02   0.138E+01 -.796E+00 -.134E+02   -.216E-02 0.125E-02 -.183E-01   -.926E-03 0.532E-03 0.124E-03
   -.117E+01 0.122E+02 0.161E+02   0.117E+01 -.122E+02 -.161E+02   -.529E-02 0.219E-01 -.484E-01   -.110E-02 0.112E-02 0.970E-03
   0.719E+01 0.303E+02 0.423E+02   -.738E+01 -.305E+02 -.422E+02   0.186E+00 0.198E+00 -.604E-01   -.171E-02 -.180E-02 0.238E-02
   0.373E+02 0.784E+01 0.478E+02   -.379E+02 -.812E+01 -.481E+02   0.543E+00 0.281E+00 0.295E+00   -.332E-02 0.965E-03 0.208E-02
   0.193E+02 -.111E+02 0.217E+02   -.193E+02 0.112E+02 -.217E+02   0.504E-01 -.291E-01 -.434E-01   -.103E-02 0.593E-03 0.510E-03
   0.416E+01 -.193E+01 0.116E+02   -.416E+01 0.194E+01 -.116E+02   -.156E-02 -.882E-02 -.436E-01   -.154E-02 0.803E-03 0.703E-03
   -.311E+01 0.363E+01 0.126E+02   0.312E+01 -.364E+01 -.126E+02   -.156E-01 0.100E-01 -.175E-01   -.104E-02 0.617E-03 0.147E-02
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.230E+00 0.178E+00 -.341E-01   -.870E-03 0.729E-04 0.148E-02
   -.236E+02 0.136E+02 0.940E+02   0.242E+02 -.140E+02 -.960E+02   -.641E+00 0.370E+00 0.205E+01   -.106E-02 0.615E-03 -.242E-03
   0.119E+02 -.362E+02 0.478E+02   -.119E+02 0.368E+02 -.481E+02   0.278E-01 -.611E+00 0.295E+00   -.250E-02 0.239E-02 0.208E-02
   0.593E+01 -.136E+02 0.161E+02   -.593E+01 0.137E+02 -.161E+02   0.408E-03 -.707E-01 -.516E-01   -.929E-03 0.519E-03 0.136E-02
   -.627E+00 -.395E+01 0.126E+02   0.624E+00 0.395E+01 -.126E+02   0.504E-03 0.250E-02 -.128E-01   -.149E-02 0.122E-02 0.546E-03
   -.913E+01 0.527E+01 0.136E+02   0.917E+01 -.530E+01 -.136E+02   -.441E-01 0.254E-01 -.128E-01   -.765E-03 0.448E-03 0.145E-03
   -.268E+02 0.342E+01 0.256E+02   0.271E+02 -.353E+01 -.256E+02   -.270E+00 0.110E+00 -.341E-01   -.492E-03 0.723E-03 0.148E-02
   -.227E+02 -.214E+02 0.423E+02   0.227E+02 0.216E+02 -.422E+02   -.783E-01 -.260E+00 -.604E-01   0.706E-03 0.238E-02 0.238E-02
   -.238E+01 -.188E+02 0.240E+02   0.238E+01 0.189E+02 -.240E+02   -.149E-02 -.104E+00 -.483E-01   -.222E-02 -.856E-04 0.131E-02
   0.205E+01 -.119E+01 0.163E+02   -.206E+01 0.119E+01 -.162E+02   0.131E-02 -.755E-03 -.240E-01   -.362E-03 0.212E-03 0.459E-04
   0.311E+01 0.252E+01 0.126E+02   -.311E+01 -.251E+01 -.126E+02   -.191E-02 -.169E-02 -.128E-01   -.180E-02 0.685E-03 0.549E-03
   -.470E+01 0.877E+00 0.126E+02   0.472E+01 -.885E+00 -.126E+02   -.165E-01 0.852E-02 -.175E-01   -.105E-02 0.596E-03 0.148E-02
   -.112E+02 -.509E+01 0.161E+02   0.112E+02 0.510E+01 -.161E+02   -.216E-01 -.638E-02 -.484E-01   -.152E-02 0.395E-03 0.975E-03
   -.615E+01 -.689E+01 0.194E+02   0.615E+01 0.691E+01 -.193E+02   -.231E-02 -.187E-01 -.274E-01   -.793E-03 0.248E-02 0.375E-03
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.293E-03 0.100E+02   -.156E-12 -.355E-14 -.391E-13   -.833E-16 -.184E-15 -.101E+02   0.139E-07 -.281E-07 0.646E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85228      6.05935     12.26337         0.000000      0.000000      0.001663
      1.07510      6.50806     13.52246        -0.001344      0.000776      0.014368
      2.62946      5.61065     13.52246         0.001344     -0.000776      0.014368
      0.00010     -0.00006      9.90923         0.002429     -0.001402      0.000566
     -1.23486      2.13710      9.90788         0.004018     -0.007442      0.000103
     -2.47017      4.27672      9.92785         0.003426     -0.001814     -0.000641
     -3.70394      6.41556      9.93554         0.002973     -0.001301     -0.000749
     -4.93777      8.55393      9.92613         0.003885     -0.001452     -0.000045
      2.46928      0.00001      9.92613         0.003200     -0.002638     -0.000045
      1.23391      2.13679      9.91738         0.007550      0.003293     -0.000811
     -0.00263      4.27114      9.92985        -0.000964     -0.003622     -0.002314
     -1.23842      6.41619      9.95198         0.003723     -0.003016     -0.001195
     -2.46909      8.55430      9.93747         0.002930     -0.001692      0.000422
      4.93809      0.00068      9.93554         0.002613     -0.001924     -0.000749
      3.70436      2.13690      9.93882         0.002135     -0.001608     -0.001086
      2.46997      4.26882      9.96639         0.005980     -0.003149     -0.001631
      1.22908      6.41916      9.97276         0.008765     -0.005061      0.000607
     -0.00210      8.55756      9.95198         0.004473     -0.001716     -0.001195
      7.40726      0.00162      9.92785         0.003284     -0.002060     -0.000641
      6.17286      2.13902      9.93417         0.003451     -0.001993     -0.000173
      4.93929      4.27707      9.94692         0.002618     -0.001511      0.000025
      3.71177      6.41969      9.96639         0.005717     -0.003605     -0.001631
      2.47346      8.55987      9.92985         0.002655      0.002645     -0.002314
      9.87788      0.00162      9.90788         0.008454      0.000241      0.000103
      8.64224      2.13917      9.91908         0.002799     -0.001616      0.000265
      7.40768      4.27780      9.93417         0.003452     -0.001992     -0.000173
      6.17527      6.41663      9.93882         0.002460     -0.001045     -0.001086
      4.94014      8.55616      9.91738         0.000923     -0.008185     -0.000811
     -0.00092      1.42469      9.90788        -0.008454     -0.000241      0.000103
     -1.23558      3.56255      9.91738        -0.000923      0.008185     -0.000811
     -2.47071      5.70208      9.93882        -0.002460      0.001045     -0.001086
     -3.70312      7.84091      9.93417        -0.003452      0.001992     -0.000173
     -4.93768      9.97954      9.91908        -0.002799      0.001616      0.000265
      2.46970      1.42469      9.92785        -0.003284      0.002060     -0.000641
      1.23110      3.55884      9.92985        -0.002655     -0.002645     -0.002314
     -0.00721      5.69902      9.96639        -0.005717      0.003605     -0.001631
     -1.23473      7.84164      9.94692        -0.002618      0.001511      0.000025
     -2.46830      9.97969      9.93417        -0.003451      0.001993     -0.000173
      4.93887      1.42563      9.93554        -0.002613      0.001924     -0.000749
      3.70666      3.56115      9.95198        -0.004473      0.001716     -0.001195
      2.47547      5.69955      9.97276        -0.008765      0.005061      0.000607
      1.23459      7.84989      9.96639        -0.005980      0.003149     -0.001631
      0.00020      9.98181      9.93882        -0.002135      0.001608     -0.001086
      7.40768      1.42629      9.92613        -0.003200      0.002638     -0.000045
      6.17365      3.56441      9.93747        -0.002930      0.001692      0.000422
      4.94298      5.70252      9.95198        -0.003723      0.003016     -0.001195
      3.70719      7.84757      9.92985         0.000964      0.003622     -0.002314
      2.47065      9.98192      9.91738        -0.007550     -0.003293     -0.000811
      9.87686      1.42636      9.90923        -0.002429      0.001402      0.000566
      8.64233      3.56477      9.92613        -0.003885      0.001452     -0.000045
      7.40850      5.70315      9.93554        -0.002973      0.001301     -0.000749
      6.17473      7.84199      9.92785        -0.003426      0.001814     -0.000641
      4.93942      9.98160      9.90788        -0.004018      0.007442      0.000103
 -----------------------------------------------------------------------------------
    total drift:                               -0.001808      0.000293      0.000074


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.97: CPU time    1.97
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.36: CPU time    1.36
    ORTHCH:  VPU time  184.03: CPU time   92.26
     LOOP+:  VPU time 5406.89: CPU time 2779.86


----------------------------------------- Iteration   46(   1)  ---------------------------------------


    POTLOK:  VPU time    9.10: CPU time    9.03
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1508.45: CPU time  780.67
 BZINTS: Fermi energy: -3.206551;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.38: CPU time   57.62
    MIXING:  VPU time    0.14: CPU time    0.14
    ------------------------------------------
      LOOP:  VPU time 1632.49: CPU time  847.84

 eigenvalue-minimisations  :  4640
 total energy-change (2. order) :-0.4717264E+03  (-0.1543079E-04)
 number of electron  212.0000059 magnetization    0.0000000
 augmentation part     7.9572805 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.50477E-03    rms(broyden)= 0.50472E-03
  rms(prec ) = 0.54088E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34090.24415311
  -1/2 Hartree   DENC   =    -40980.94676986
  -V(xc)+E(xc)   XCENC  =       726.56952527
  PAW double counting   =      4093.50316236    -4131.84800422
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.68836743
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72644716 eV

  energy without entropy =     -471.72644716  energy(sigma->0) =     -471.72644716


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   46(   2)  ---------------------------------------


    POTLOK:  VPU time    7.89: CPU time    7.88
    SETDIJ:  VPU time    0.29: CPU time    0.30
    EDDAV :  VPU time 1312.83: CPU time  676.04
 BZINTS: Fermi energy: -3.206619;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1321.08: CPU time  684.25

 eigenvalue-minimisations  :  3696
 total energy-change (2. order) :-0.3428177E-06  (-0.5113495E-06)
 number of electron  212.0000059 magnetization    0.0000000
 augmentation part     7.9572805 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34090.24415311
  -1/2 Hartree   DENC   =    -40980.90573541
  -V(xc)+E(xc)   XCENC  =       726.56865411
  PAW double counting   =      4093.47679684    -4131.82137547
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.72879429
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72644751 eV

  energy without entropy =     -471.72644751  energy(sigma->0) =     -471.72644751


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2174       2 -39.5372       3 -39.5372       4 -58.3142       5 -58.3182
       6 -58.3206       7 -58.3151       8 -58.3155       9 -58.3154      10 -58.3220
      11 -58.3881      12 -58.3521      13 -58.3234      14 -58.3151      15 -58.3250
      16 -58.5429      17 -58.7297      18 -58.3521      19 -58.3206      20 -58.3203
      21 -58.3581      22 -58.5429      23 -58.3882      24 -58.3182      25 -58.3233
      26 -58.3203      27 -58.3250      28 -58.3220      29 -58.3180      30 -58.3219
      31 -58.3249      32 -58.3202      33 -58.3232      34 -58.3205      35 -58.3880
      36 -58.5428      37 -58.3581      38 -58.3202      39 -58.3150      40 -58.3519
      41 -58.7296      42 -58.5428      43 -58.3249      44 -58.3154      45 -58.3233
      46 -58.3520      47 -58.3881      48 -58.3219      49 -58.3141      50 -58.3153
      51 -58.3150      52 -58.3205      53 -58.3181
 
 
 
 E-fermi :  -3.2066     XC(G=0):  -2.3384     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4255      1.00000
      2     -21.6023      1.00000
      3     -21.4806      1.00000
      4     -21.4716      1.00000
      5     -21.4400      1.00000
      6     -21.4393      1.00000
      7     -21.4291      1.00000
      8     -19.7065      1.00000
      9     -19.6520      1.00000
     10     -19.6289      1.00000
     11     -19.6175      1.00000
     12     -19.6122      1.00000
     13     -19.6113      1.00000
     14     -18.7888      1.00000
     15     -18.7540      1.00000
     16     -18.7342      1.00000
     17     -18.7249      1.00000
     18     -18.7175      1.00000
     19     -18.7120      1.00000
     20     -16.6342      1.00000
     21     -16.6091      1.00000
     22     -16.5843      1.00000
     23     -16.5804      1.00000
     24     -16.5541      1.00000
     25     -16.5520      1.00000
     26     -15.6127      1.00000
     27     -15.6017      1.00000
     28     -15.5985      1.00000
     29     -15.5647      1.00000
     30     -15.5627      1.00000
     31     -15.5601      1.00000
     32     -14.2588      1.00000
     33     -14.2501      1.00000
     34     -14.2402      1.00000
     35     -14.2352      1.00000
     36     -14.2219      1.00000
     37     -14.2186      1.00000
     38     -11.9046      1.00000
     39     -11.8785      1.00000
     40     -11.8680      1.00000
     41     -11.8651      1.00000
     42     -11.8451      1.00000
     43     -11.8440      1.00000
     44     -11.7702      1.00000
     45     -11.7680      1.00000
     46     -11.7348      1.00000
     47     -11.7283      1.00000
     48     -11.7248      1.00000
     49     -11.7212      1.00000
     50     -10.6748      1.00000
     51     -10.3875      1.00000
     52     -10.3835      1.00000
     53     -10.3766      1.00000
     54     -10.3669      1.00000
     55     -10.3554      1.00000
     56     -10.3530      1.00000
     57      -9.9028      1.00000
     58      -9.4495      1.00000
     59      -9.4045      1.00000
     60      -9.3615      1.00000
     61      -9.3610      1.00000
     62      -9.3531      1.00000
     63      -9.1411      1.00000
     64      -9.1223      1.00000
     65      -9.1205      1.00000
     66      -9.0849      1.00000
     67      -9.0708      1.00000
     68      -9.0701      1.00000
     69      -9.0700      1.00000
     70      -9.0644      1.00000
     71      -9.0634      1.00000
     72      -9.0386      1.00000
     73      -9.0286      1.00000
     74      -9.0252      1.00000
     75      -8.1292      1.00000
     76      -7.7457      1.00000
     77      -7.4691      1.00000
     78      -7.4653      1.00000
     79      -7.4541      1.00000
     80      -7.4337      1.00000
     81      -7.4237      1.00000
     82      -7.4064      1.00000
     83      -7.3120      1.00000
     84      -7.2702      1.00000
     85      -7.2564      1.00000
     86      -7.2482      1.00000
     87      -7.1499      1.00000
     88      -7.0494      1.00000
     89      -6.4453      1.00000
     90      -6.4151      1.00000
     91      -6.3997      1.00000
     92      -6.3632      1.00000
     93      -6.3523      1.00000
     94      -6.3405      1.00000
     95      -5.9601      1.00000
     96      -5.9564      1.00000
     97      -4.8057      1.00000
     98      -4.5438      1.00000
     99      -4.4819      1.00000
    100      -4.4734      1.00000
    101      -4.3824      1.00000
    102      -4.3811      1.00000
    103      -4.2674      1.00000
    104      -4.1867      1.00000
    105      -3.7390      1.00000
    106      -3.4771      1.00000
    107      -1.8623      0.00000
    108      -1.6697      0.00000
    109      -1.6240      0.00000
    110      -1.5924      0.00000
    111      -1.5756      0.00000
    112      -1.5755      0.00000
    113      -0.4289      0.00000
    114       0.1463      0.00000
    115       0.1912      0.00000
    116       0.2549      0.00000
    117       0.2677      0.00000
    118       0.2705      0.00000
    119       0.4765      0.00000
    120       0.5554      0.00000
    121       1.2571      0.00000
    122       1.2918      0.00000
    123       1.5487      0.00000
    124       1.7781      0.00000
    125       1.7794      0.00000
    126       1.7818      0.00000
    127       1.7823      0.00000
    128       1.8317      0.00000
    129       1.9573      0.00000
    130       1.9714      0.00000
    131       1.9739      0.00000
    132       1.9877      0.00000
    133       1.9956      0.00000
    134       2.0857      0.00000
    135       2.2632      0.00000
    136       2.3443      0.00000
    137       2.6302      0.00000
    138       2.6313      0.00000
    139       2.6610      0.00000
    140       2.7272      0.00000
    141       2.9449      0.00000
    142       3.0331      0.00000
    143       3.0431      0.00000
    144       3.0749      0.00000
    145       3.0764      0.00000
    146       3.0805      0.00000
    147       3.0999      0.00000
    148       3.2869      0.00000
    149       3.4536      0.00000
    150       3.5205      0.00000
    151       3.8266      0.00000
    152       3.9640      0.00000
    153       3.9775      0.00000
    154       3.9800      0.00000
    155       3.9868      0.00000
    156       4.0042      0.00000
    157       4.1912      0.00000
    158       4.2660      0.00000
    159       4.2764      0.00000
    160       4.2877      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3888      1.00000
      2     -21.8297      1.00000
      3     -21.6374      1.00000
      4     -21.6096      1.00000
      5     -21.2739      1.00000
      6     -21.2345      1.00000
      7     -21.0562      1.00000
      8     -20.1669      1.00000
      9     -20.1288      1.00000
     10     -19.6078      1.00000
     11     -19.5969      1.00000
     12     -19.4165      1.00000
     13     -19.0889      1.00000
     14     -19.0594      1.00000
     15     -19.0484      1.00000
     16     -19.0408      1.00000
     17     -18.3600      1.00000
     18     -18.3517      1.00000
     19     -18.0184      1.00000
     20     -17.0686      1.00000
     21     -17.0298      1.00000
     22     -16.9433      1.00000
     23     -16.9398      1.00000
     24     -16.4674      1.00000
     25     -16.4630      1.00000
     26     -15.6125      1.00000
     27     -15.6071      1.00000
     28     -15.2514      1.00000
     29     -15.2431      1.00000
     30     -15.1845      1.00000
     31     -15.0977      1.00000
     32     -15.0710      1.00000
     33     -14.6977      1.00000
     34     -14.6959      1.00000
     35     -13.7258      1.00000
     36     -13.7232      1.00000
     37     -13.2356      1.00000
     38     -12.6140      1.00000
     39     -12.5842      1.00000
     40     -12.4538      1.00000
     41     -12.4500      1.00000
     42     -12.1086      1.00000
     43     -12.1040      1.00000
     44     -11.7162      1.00000
     45     -11.6853      1.00000
     46     -11.2344      1.00000
     47     -11.2265      1.00000
     48     -11.0173      1.00000
     49     -11.0094      1.00000
     50     -10.9254      1.00000
     51     -10.9044      1.00000
     52     -10.6298      1.00000
     53     -10.1553      1.00000
     54     -10.1504      1.00000
     55     -10.0919      1.00000
     56      -9.9976      1.00000
     57      -9.7013      1.00000
     58      -9.6953      1.00000
     59      -9.6549      1.00000
     60      -9.5914      1.00000
     61      -9.5758      1.00000
     62      -9.5583      1.00000
     63      -9.3071      1.00000
     64      -9.3028      1.00000
     65      -9.2732      1.00000
     66      -9.2356      1.00000
     67      -9.1358      1.00000
     68      -9.1156      1.00000
     69      -9.1104      1.00000
     70      -8.9388      1.00000
     71      -8.8712      1.00000
     72      -8.6039      1.00000
     73      -8.5902      1.00000
     74      -8.2357      1.00000
     75      -8.1010      1.00000
     76      -7.9126      1.00000
     77      -7.8629      1.00000
     78      -7.7717      1.00000
     79      -7.7566      1.00000
     80      -7.6915      1.00000
     81      -7.5604      1.00000
     82      -7.3392      1.00000
     83      -7.3229      1.00000
     84      -7.2037      1.00000
     85      -7.1231      1.00000
     86      -7.0315      1.00000
     87      -7.0114      1.00000
     88      -6.7037      1.00000
     89      -6.6775      1.00000
     90      -6.6404      1.00000
     91      -6.5975      1.00000
     92      -6.1169      1.00000
     93      -6.0614      1.00000
     94      -6.0303      1.00000
     95      -6.0114      1.00000
     96      -5.7825      1.00000
     97      -4.9737      1.00000
     98      -4.8320      1.00000
     99      -4.7467      1.00000
    100      -4.6787      1.00000
    101      -4.4683      1.00000
    102      -4.2031      1.00000
    103      -4.1721      1.00000
    104      -4.1276      1.00000
    105      -3.7294      1.00000
    106      -3.4873      1.00000
    107      -1.8706      0.00000
    108      -1.8081      0.00000
    109      -1.5250      0.00000
    110      -1.3769      0.00000
    111      -1.3220      0.00000
    112      -1.2888      0.00000
    113      -0.7206      0.00000
    114      -0.3764      0.00000
    115      -0.2494      0.00000
    116       0.0368      0.00000
    117       0.5616      0.00000
    118       0.6999      0.00000
    119       0.7461      0.00000
    120       1.0487      0.00000
    121       1.0987      0.00000
    122       1.1531      0.00000
    123       1.2281      0.00000
    124       1.3846      0.00000
    125       1.5299      0.00000
    126       1.5965      0.00000
    127       1.7195      0.00000
    128       1.8043      0.00000
    129       1.8569      0.00000
    130       1.8824      0.00000
    131       2.0994      0.00000
    132       2.1983      0.00000
    133       2.2464      0.00000
    134       2.3182      0.00000
    135       2.5237      0.00000
    136       2.6046      0.00000
    137       2.6245      0.00000
    138       2.7857      0.00000
    139       2.7987      0.00000
    140       2.8256      0.00000
    141       2.8399      0.00000
    142       2.9059      0.00000
    143       2.9361      0.00000
    144       3.0991      0.00000
    145       3.1663      0.00000
    146       3.3250      0.00000
    147       3.3642      0.00000
    148       3.4117      0.00000
    149       3.4772      0.00000
    150       3.6167      0.00000
    151       3.6468      0.00000
    152       3.6747      0.00000
    153       3.7210      0.00000
    154       3.9249      0.00000
    155       3.9660      0.00000
    156       4.0248      0.00000
    157       4.0706      0.00000
    158       4.2520      0.00000
    159       4.2618      0.00000
    160       4.2830      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2828      1.00000
      2     -22.0772      1.00000
      3     -21.7159      1.00000
      4     -21.6841      1.00000
      5     -20.9787      1.00000
      6     -20.9381      1.00000
      7     -20.6111      1.00000
      8     -20.5746      1.00000
      9     -20.5682      1.00000
     10     -20.0320      1.00000
     11     -19.5026      1.00000
     12     -19.4911      1.00000
     13     -19.3061      1.00000
     14     -19.3010      1.00000
     15     -18.4470      1.00000
     16     -18.4104      1.00000
     17     -17.9216      1.00000
     18     -17.9124      1.00000
     19     -17.7610      1.00000
     20     -17.7253      1.00000
     21     -17.4353      1.00000
     22     -17.4281      1.00000
     23     -17.3403      1.00000
     24     -16.4624      1.00000
     25     -16.4613      1.00000
     26     -15.9667      1.00000
     27     -15.4129      1.00000
     28     -15.4086      1.00000
     29     -15.0954      1.00000
     30     -15.0928      1.00000
     31     -14.8542      1.00000
     32     -14.8469      1.00000
     33     -14.2901      1.00000
     34     -14.2574      1.00000
     35     -13.4365      1.00000
     36     -13.4042      1.00000
     37     -13.1769      1.00000
     38     -13.1734      1.00000
     39     -12.9812      1.00000
     40     -12.9764      1.00000
     41     -12.6125      1.00000
     42     -12.6090      1.00000
     43     -12.1977      1.00000
     44     -11.5755      1.00000
     45     -11.5417      1.00000
     46     -11.3095      1.00000
     47     -11.2869      1.00000
     48     -11.1421      1.00000
     49     -10.6757      1.00000
     50     -10.6606      1.00000
     51     -10.5519      1.00000
     52     -10.3235      1.00000
     53     -10.3169      1.00000
     54     -10.1683      1.00000
     55     -10.1156      1.00000
     56     -10.1118      1.00000
     57      -9.7973      1.00000
     58      -9.7652      1.00000
     59      -9.7511      1.00000
     60      -9.6991      1.00000
     61      -9.6973      1.00000
     62      -9.6612      1.00000
     63      -9.3548      1.00000
     64      -9.3506      1.00000
     65      -9.3145      1.00000
     66      -9.0401      1.00000
     67      -8.9627      1.00000
     68      -8.9481      1.00000
     69      -8.7987      1.00000
     70      -8.5939      1.00000
     71      -8.5568      1.00000
     72      -8.3976      1.00000
     73      -8.3640      1.00000
     74      -8.3239      1.00000
     75      -8.3065      1.00000
     76      -8.2586      1.00000
     77      -8.2563      1.00000
     78      -8.2355      1.00000
     79      -7.9041      1.00000
     80      -7.6507      1.00000
     81      -7.5492      1.00000
     82      -7.3869      1.00000
     83      -7.3499      1.00000
     84      -7.2316      1.00000
     85      -7.0958      1.00000
     86      -7.0385      1.00000
     87      -6.9332      1.00000
     88      -6.8482      1.00000
     89      -6.6116      1.00000
     90      -6.5596      1.00000
     91      -6.2688      1.00000
     92      -6.0430      1.00000
     93      -5.9509      1.00000
     94      -5.6619      1.00000
     95      -5.6227      1.00000
     96      -5.4625      1.00000
     97      -5.3191      1.00000
     98      -5.2783      1.00000
     99      -5.2131      1.00000
    100      -5.1940      1.00000
    101      -4.5080      1.00000
    102      -4.2072      1.00000
    103      -4.0590      1.00000
    104      -3.9893      1.00000
    105      -3.6942      1.00000
    106      -3.4975      1.00000
    107      -1.9461      0.00000
    108      -1.8959      0.00000
    109      -1.3396      0.00000
    110      -1.0854      0.00000
    111      -1.0576      0.00000
    112      -0.8009      0.00000
    113      -0.6769      0.00000
    114      -0.6475      0.00000
    115      -0.6081      0.00000
    116      -0.1082      0.00000
    117       0.2147      0.00000
    118       0.3287      0.00000
    119       0.7005      0.00000
    120       0.8930      0.00000
    121       1.1287      0.00000
    122       1.1990      0.00000
    123       1.3326      0.00000
    124       1.4284      0.00000
    125       1.5566      0.00000
    126       1.5773      0.00000
    127       1.6921      0.00000
    128       1.8113      0.00000
    129       1.8895      0.00000
    130       2.0626      0.00000
    131       2.1128      0.00000
    132       2.3121      0.00000
    133       2.3543      0.00000
    134       2.4088      0.00000
    135       2.5608      0.00000
    136       2.6365      0.00000
    137       2.7358      0.00000
    138       2.7393      0.00000
    139       2.8094      0.00000
    140       2.8908      0.00000
    141       3.0565      0.00000
    142       3.0672      0.00000
    143       3.1768      0.00000
    144       3.2732      0.00000
    145       3.3678      0.00000
    146       3.4233      0.00000
    147       3.4443      0.00000
    148       3.5707      0.00000
    149       3.5894      0.00000
    150       3.6134      0.00000
    151       3.6629      0.00000
    152       3.6825      0.00000
    153       3.7786      0.00000
    154       3.7901      0.00000
    155       3.8102      0.00000
    156       3.8950      0.00000
    157       3.9335      0.00000
    158       3.9981      0.00000
    159       4.2239      0.00000
    160       4.2305      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3168      1.00000
      2     -21.9621      1.00000
      3     -21.8929      1.00000
      4     -21.3802      1.00000
      5     -21.3509      1.00000
      6     -20.8390      1.00000
      7     -20.7737      1.00000
      8     -20.6234      1.00000
      9     -20.0769      1.00000
     10     -20.0713      1.00000
     11     -19.7162      1.00000
     12     -19.6916      1.00000
     13     -18.9958      1.00000
     14     -18.9900      1.00000
     15     -18.6401      1.00000
     16     -18.6240      1.00000
     17     -18.4616      1.00000
     18     -17.6748      1.00000
     19     -17.6243      1.00000
     20     -17.6216      1.00000
     21     -17.5797      1.00000
     22     -17.1262      1.00000
     23     -17.1044      1.00000
     24     -16.9621      1.00000
     25     -16.0019      1.00000
     26     -15.9277      1.00000
     27     -15.5854      1.00000
     28     -15.5852      1.00000
     29     -15.2854      1.00000
     30     -14.8641      1.00000
     31     -14.8366      1.00000
     32     -14.5787      1.00000
     33     -14.5368      1.00000
     34     -14.1675      1.00000
     35     -14.1540      1.00000
     36     -13.1486      1.00000
     37     -13.1003      1.00000
     38     -13.0294      1.00000
     39     -13.0193      1.00000
     40     -12.7089      1.00000
     41     -12.7049      1.00000
     42     -12.3407      1.00000
     43     -12.3095      1.00000
     44     -11.6349      1.00000
     45     -11.6213      1.00000
     46     -11.5705      1.00000
     47     -10.9484      1.00000
     48     -10.9155      1.00000
     49     -10.6321      1.00000
     50     -10.6251      1.00000
     51     -10.5468      1.00000
     52     -10.4990      1.00000
     53     -10.4987      1.00000
     54     -10.4406      1.00000
     55     -10.3607      1.00000
     56     -10.0984      1.00000
     57      -9.9026      1.00000
     58      -9.6090      1.00000
     59      -9.5566      1.00000
     60      -9.4517      1.00000
     61      -9.4113      1.00000
     62      -9.4046      1.00000
     63      -9.3774      1.00000
     64      -9.3773      1.00000
     65      -9.2865      1.00000
     66      -9.1674      1.00000
     67      -9.1421      1.00000
     68      -9.1132      1.00000
     69      -8.8639      1.00000
     70      -8.8564      1.00000
     71      -8.8143      1.00000
     72      -8.5961      1.00000
     73      -8.4791      1.00000
     74      -8.1978      1.00000
     75      -8.1625      1.00000
     76      -8.0083      1.00000
     77      -7.9633      1.00000
     78      -7.8516      1.00000
     79      -7.8411      1.00000
     80      -7.7041      1.00000
     81      -7.6972      1.00000
     82      -7.6217      1.00000
     83      -7.4484      1.00000
     84      -7.3001      1.00000
     85      -7.2531      1.00000
     86      -6.9059      1.00000
     87      -6.8923      1.00000
     88      -6.5881      1.00000
     89      -6.5508      1.00000
     90      -6.4080      1.00000
     91      -6.2532      1.00000
     92      -6.2329      1.00000
     93      -6.2035      1.00000
     94      -6.0222      1.00000
     95      -5.5492      1.00000
     96      -5.4881      1.00000
     97      -5.3495      1.00000
     98      -5.2189      1.00000
     99      -4.9799      1.00000
    100      -4.7320      1.00000
    101      -4.6777      1.00000
    102      -4.3872      1.00000
    103      -4.2026      1.00000
    104      -3.8708      1.00000
    105      -3.5469      1.00000
    106      -3.5094      1.00000
    107      -2.2554      0.00000
    108      -1.4568      0.00000
    109      -1.3703      0.00000
    110      -1.2417      0.00000
    111      -1.0987      0.00000
    112      -0.9459      0.00000
    113      -0.8647      0.00000
    114      -0.8042      0.00000
    115      -0.1393      0.00000
    116       0.1117      0.00000
    117       0.2408      0.00000
    118       0.3768      0.00000
    119       0.6585      0.00000
    120       0.8360      0.00000
    121       0.9362      0.00000
    122       1.0688      0.00000
    123       1.2406      0.00000
    124       1.4523      0.00000
    125       1.5663      0.00000
    126       1.7658      0.00000
    127       1.7931      0.00000
    128       1.8692      0.00000
    129       1.9849      0.00000
    130       2.0451      0.00000
    131       2.1888      0.00000
    132       2.1894      0.00000
    133       2.4223      0.00000
    134       2.4372      0.00000
    135       2.5124      0.00000
    136       2.6042      0.00000
    137       2.6351      0.00000
    138       2.7039      0.00000
    139       2.7896      0.00000
    140       2.8483      0.00000
    141       2.9635      0.00000
    142       3.0944      0.00000
    143       3.1916      0.00000
    144       3.2120      0.00000
    145       3.2443      0.00000
    146       3.3325      0.00000
    147       3.3441      0.00000
    148       3.4748      0.00000
    149       3.5142      0.00000
    150       3.6987      0.00000
    151       3.7205      0.00000
    152       3.7296      0.00000
    153       3.8650      0.00000
    154       3.9109      0.00000
    155       3.9587      0.00000
    156       3.9817      0.00000
    157       4.0024      0.00000
    158       4.0357      0.00000
    159       4.0587      0.00000
    160       4.0729      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2097      1.00000
      2     -22.1169      1.00000
      3     -21.9561      1.00000
      4     -21.4037      1.00000
      5     -21.0491      1.00000
      6     -21.0133      1.00000
      7     -20.5000      1.00000
      8     -20.4607      1.00000
      9     -20.2943      1.00000
     10     -20.2750      1.00000
     11     -19.9569      1.00000
     12     -19.8912      1.00000
     13     -18.8819      1.00000
     14     -18.8133      1.00000
     15     -18.3522      1.00000
     16     -18.3062      1.00000
     17     -18.1526      1.00000
     18     -18.1354      1.00000
     19     -17.8262      1.00000
     20     -17.7888      1.00000
     21     -17.2513      1.00000
     22     -17.2416      1.00000
     23     -17.1642      1.00000
     24     -17.1325      1.00000
     25     -16.1098      1.00000
     26     -15.8844      1.00000
     27     -15.8696      1.00000
     28     -15.8341      1.00000
     29     -15.2360      1.00000
     30     -14.5545      1.00000
     31     -14.5268      1.00000
     32     -14.2797      1.00000
     33     -13.9638      1.00000
     34     -13.9563      1.00000
     35     -13.8203      1.00000
     36     -13.8047      1.00000
     37     -13.6141      1.00000
     38     -13.5704      1.00000
     39     -13.3693      1.00000
     40     -12.6342      1.00000
     41     -12.1805      1.00000
     42     -12.1326      1.00000
     43     -12.0711      1.00000
     44     -12.0190      1.00000
     45     -11.6698      1.00000
     46     -11.6563      1.00000
     47     -11.1387      1.00000
     48     -11.1182      1.00000
     49     -10.7939      1.00000
     50     -10.7304      1.00000
     51     -10.5276      1.00000
     52     -10.2091      1.00000
     53     -10.2049      1.00000
     54     -10.1638      1.00000
     55     -10.0178      1.00000
     56     -10.0036      1.00000
     57      -9.9902      1.00000
     58      -9.8010      1.00000
     59      -9.7976      1.00000
     60      -9.7625      1.00000
     61      -9.7577      1.00000
     62      -9.4539      1.00000
     63      -9.4165      1.00000
     64      -9.0797      1.00000
     65      -9.0728      1.00000
     66      -9.0405      1.00000
     67      -8.9547      1.00000
     68      -8.8765      1.00000
     69      -8.7121      1.00000
     70      -8.6998      1.00000
     71      -8.5652      1.00000
     72      -8.5423      1.00000
     73      -8.4985      1.00000
     74      -8.4633      1.00000
     75      -8.4520      1.00000
     76      -8.2597      1.00000
     77      -8.1247      1.00000
     78      -8.0426      1.00000
     79      -7.9162      1.00000
     80      -7.8626      1.00000
     81      -7.6143      1.00000
     82      -7.5480      1.00000
     83      -7.4896      1.00000
     84      -7.2684      1.00000
     85      -6.9962      1.00000
     86      -6.9237      1.00000
     87      -6.8829      1.00000
     88      -6.5318      1.00000
     89      -6.4864      1.00000
     90      -6.4608      1.00000
     91      -6.4098      1.00000
     92      -5.9831      1.00000
     93      -5.8969      1.00000
     94      -5.7838      1.00000
     95      -5.7595      1.00000
     96      -5.4313      1.00000
     97      -5.3289      1.00000
     98      -5.2295      1.00000
     99      -5.2169      1.00000
    100      -5.1887      1.00000
    101      -4.6919      1.00000
    102      -4.4212      1.00000
    103      -4.2091      1.00000
    104      -3.8338      1.00000
    105      -3.5285      1.00000
    106      -3.2745      1.00000
    107      -2.5308      0.00000
    108      -1.4585      0.00000
    109      -1.2663      0.00000
    110      -1.2031      0.00000
    111      -1.1724      0.00000
    112      -0.7201      0.00000
    113      -0.5039      0.00000
    114      -0.4126      0.00000
    115      -0.3395      0.00000
    116      -0.1466      0.00000
    117      -0.0036      0.00000
    118       0.1937      0.00000
    119       0.5617      0.00000
    120       0.6123      0.00000
    121       0.8019      0.00000
    122       0.9135      0.00000
    123       1.1395      0.00000
    124       1.5037      0.00000
    125       1.6427      0.00000
    126       1.8705      0.00000
    127       1.9370      0.00000
    128       2.1146      0.00000
    129       2.1264      0.00000
    130       2.1296      0.00000
    131       2.1762      0.00000
    132       2.2796      0.00000
    133       2.3273      0.00000
    134       2.4599      0.00000
    135       2.5792      0.00000
    136       2.6653      0.00000
    137       2.8606      0.00000
    138       2.8720      0.00000
    139       2.9013      0.00000
    140       3.0326      0.00000
    141       3.0383      0.00000
    142       3.1496      0.00000
    143       3.1640      0.00000
    144       3.2402      0.00000
    145       3.2813      0.00000
    146       3.2897      0.00000
    147       3.3060      0.00000
    148       3.3522      0.00000
    149       3.4330      0.00000
    150       3.4525      0.00000
    151       3.5617      0.00000
    152       3.6268      0.00000
    153       3.6884      0.00000
    154       3.7194      0.00000
    155       3.7844      0.00000
    156       3.9011      0.00000
    157       3.9522      0.00000
    158       4.0158      0.00000
    159       4.1491      0.00000
    160       4.2378      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3166      1.00000
      2     -21.9636      1.00000
      3     -21.8915      1.00000
      4     -21.3839      1.00000
      5     -21.3475      1.00000
      6     -20.8387      1.00000
      7     -20.7724      1.00000
      8     -20.6243      1.00000
      9     -20.0889      1.00000
     10     -20.0602      1.00000
     11     -19.7178      1.00000
     12     -19.6891      1.00000
     13     -19.0092      1.00000
     14     -18.9782      1.00000
     15     -18.6492      1.00000
     16     -18.6165      1.00000
     17     -18.4601      1.00000
     18     -17.6599      1.00000
     19     -17.6464      1.00000
     20     -17.6101      1.00000
     21     -17.5775      1.00000
     22     -17.1367      1.00000
     23     -17.0969      1.00000
     24     -16.9652      1.00000
     25     -16.0075      1.00000
     26     -15.9228      1.00000
     27     -15.5981      1.00000
     28     -15.5747      1.00000
     29     -15.2798      1.00000
     30     -14.8759      1.00000
     31     -14.8291      1.00000
     32     -14.5742      1.00000
     33     -14.5366      1.00000
     34     -14.1637      1.00000
     35     -14.1596      1.00000
     36     -13.1614      1.00000
     37     -13.0951      1.00000
     38     -13.0226      1.00000
     39     -13.0182      1.00000
     40     -12.7174      1.00000
     41     -12.6942      1.00000
     42     -12.3400      1.00000
     43     -12.3129      1.00000
     44     -11.6315      1.00000
     45     -11.6225      1.00000
     46     -11.5699      1.00000
     47     -10.9405      1.00000
     48     -10.9225      1.00000
     49     -10.6683      1.00000
     50     -10.5893      1.00000
     51     -10.5723      1.00000
     52     -10.5008      1.00000
     53     -10.4881      1.00000
     54     -10.4383      1.00000
     55     -10.3554      1.00000
     56     -10.1028      1.00000
     57      -9.8969      1.00000
     58      -9.6078      1.00000
     59      -9.5507      1.00000
     60      -9.4534      1.00000
     61      -9.4182      1.00000
     62      -9.4087      1.00000
     63      -9.3787      1.00000
     64      -9.3712      1.00000
     65      -9.2667      1.00000
     66      -9.1655      1.00000
     67      -9.1413      1.00000
     68      -9.1158      1.00000
     69      -8.8658      1.00000
     70      -8.8599      1.00000
     71      -8.8016      1.00000
     72      -8.5957      1.00000
     73      -8.5259      1.00000
     74      -8.1932      1.00000
     75      -8.1703      1.00000
     76      -8.0751      1.00000
     77      -7.8568      1.00000
     78      -7.8366      1.00000
     79      -7.8229      1.00000
     80      -7.7103      1.00000
     81      -7.6958      1.00000
     82      -7.5968      1.00000
     83      -7.5299      1.00000
     84      -7.3497      1.00000
     85      -7.1680      1.00000
     86      -6.9055      1.00000
     87      -6.8953      1.00000
     88      -6.5917      1.00000
     89      -6.5511      1.00000
     90      -6.4052      1.00000
     91      -6.3015      1.00000
     92      -6.2468      1.00000
     93      -6.2017      1.00000
     94      -6.0036      1.00000
     95      -5.5311      1.00000
     96      -5.4655      1.00000
     97      -5.3138      1.00000
     98      -5.2093      1.00000
     99      -5.0461      1.00000
    100      -4.7228      1.00000
    101      -4.6714      1.00000
    102      -4.4236      1.00000
    103      -4.1943      1.00000
    104      -3.8425      1.00000
    105      -3.6338      1.00000
    106      -3.4159      1.00000
    107      -2.2930      0.00000
    108      -1.5099      0.00000
    109      -1.2704      0.00000
    110      -1.2625      0.00000
    111      -1.0348      0.00000
    112      -0.9769      0.00000
    113      -0.8682      0.00000
    114      -0.7998      0.00000
    115      -0.2617      0.00000
    116       0.2035      0.00000
    117       0.2390      0.00000
    118       0.3601      0.00000
    119       0.6969      0.00000
    120       0.8943      0.00000
    121       0.9237      0.00000
    122       1.0454      0.00000
    123       1.1730      0.00000
    124       1.5150      0.00000
    125       1.5739      0.00000
    126       1.7161      0.00000
    127       1.7793      0.00000
    128       1.8320      0.00000
    129       1.9584      0.00000
    130       2.0004      0.00000
    131       2.1782      0.00000
    132       2.2772      0.00000
    133       2.4269      0.00000
    134       2.4437      0.00000
    135       2.5084      0.00000
    136       2.6011      0.00000
    137       2.6179      0.00000
    138       2.7081      0.00000
    139       2.7679      0.00000
    140       2.8768      0.00000
    141       3.0458      0.00000
    142       3.0928      0.00000
    143       3.1865      0.00000
    144       3.2396      0.00000
    145       3.2457      0.00000
    146       3.3056      0.00000
    147       3.3696      0.00000
    148       3.4610      0.00000
    149       3.5332      0.00000
    150       3.6984      0.00000
    151       3.7185      0.00000
    152       3.7544      0.00000
    153       3.8355      0.00000
    154       3.8929      0.00000
    155       3.9441      0.00000
    156       3.9854      0.00000
    157       4.0076      0.00000
    158       4.0280      0.00000
    159       4.0490      0.00000
    160       4.0837      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3888      1.00000
      2     -21.8300      1.00000
      3     -21.6407      1.00000
      4     -21.6057      1.00000
      5     -21.2780      1.00000
      6     -21.2311      1.00000
      7     -21.0557      1.00000
      8     -20.1707      1.00000
      9     -20.1247      1.00000
     10     -19.6160      1.00000
     11     -19.5903      1.00000
     12     -19.4150      1.00000
     13     -19.0939      1.00000
     14     -19.0552      1.00000
     15     -19.0510      1.00000
     16     -19.0382      1.00000
     17     -18.3660      1.00000
     18     -18.3466      1.00000
     19     -18.0162      1.00000
     20     -17.0719      1.00000
     21     -17.0232      1.00000
     22     -16.9490      1.00000
     23     -16.9353      1.00000
     24     -16.4743      1.00000
     25     -16.4621      1.00000
     26     -15.6092      1.00000
     27     -15.6086      1.00000
     28     -15.2496      1.00000
     29     -15.2379      1.00000
     30     -15.1903      1.00000
     31     -15.1001      1.00000
     32     -15.0672      1.00000
     33     -14.6978      1.00000
     34     -14.6971      1.00000
     35     -13.7248      1.00000
     36     -13.7246      1.00000
     37     -13.2342      1.00000
     38     -12.6232      1.00000
     39     -12.5793      1.00000
     40     -12.4536      1.00000
     41     -12.4484      1.00000
     42     -12.1052      1.00000
     43     -12.1007      1.00000
     44     -11.7215      1.00000
     45     -11.6829      1.00000
     46     -11.2447      1.00000
     47     -11.2242      1.00000
     48     -11.0167      1.00000
     49     -11.0051      1.00000
     50     -10.9277      1.00000
     51     -10.8990      1.00000
     52     -10.6359      1.00000
     53     -10.1711      1.00000
     54     -10.1479      1.00000
     55     -10.0836      1.00000
     56      -9.9910      1.00000
     57      -9.6960      1.00000
     58      -9.6894      1.00000
     59      -9.6695      1.00000
     60      -9.5912      1.00000
     61      -9.5673      1.00000
     62      -9.5530      1.00000
     63      -9.3119      1.00000
     64      -9.2992      1.00000
     65      -9.2823      1.00000
     66      -9.2433      1.00000
     67      -9.1213      1.00000
     68      -9.1117      1.00000
     69      -9.1099      1.00000
     70      -8.9387      1.00000
     71      -8.8756      1.00000
     72      -8.6056      1.00000
     73      -8.5867      1.00000
     74      -8.2702      1.00000
     75      -8.1000      1.00000
     76      -7.8683      1.00000
     77      -7.8428      1.00000
     78      -7.7901      1.00000
     79      -7.7641      1.00000
     80      -7.7551      1.00000
     81      -7.4473      1.00000
     82      -7.3335      1.00000
     83      -7.3221      1.00000
     84      -7.2654      1.00000
     85      -7.1617      1.00000
     86      -7.0161      1.00000
     87      -6.9863      1.00000
     88      -6.7169      1.00000
     89      -6.6897      1.00000
     90      -6.6312      1.00000
     91      -6.5903      1.00000
     92      -6.1159      1.00000
     93      -6.0593      1.00000
     94      -6.0437      1.00000
     95      -6.0293      1.00000
     96      -5.7480      1.00000
     97      -4.9741      1.00000
     98      -4.8389      1.00000
     99      -4.7091      1.00000
    100      -4.6736      1.00000
    101      -4.4833      1.00000
    102      -4.3515      1.00000
    103      -4.1113      1.00000
    104      -4.0549      1.00000
    105      -3.7547      1.00000
    106      -3.4650      1.00000
    107      -1.9511      0.00000
    108      -1.7722      0.00000
    109      -1.4800      0.00000
    110      -1.3561      0.00000
    111      -1.3356      0.00000
    112      -1.2920      0.00000
    113      -0.6778      0.00000
    114      -0.4721      0.00000
    115      -0.2362      0.00000
    116       0.0514      0.00000
    117       0.5946      0.00000
    118       0.6916      0.00000
    119       0.7692      0.00000
    120       1.0234      0.00000
    121       1.0967      0.00000
    122       1.1791      0.00000
    123       1.2524      0.00000
    124       1.3405      0.00000
    125       1.4429      0.00000
    126       1.6125      0.00000
    127       1.7560      0.00000
    128       1.8451      0.00000
    129       1.8565      0.00000
    130       1.8908      0.00000
    131       2.0424      0.00000
    132       2.2239      0.00000
    133       2.2460      0.00000
    134       2.3010      0.00000
    135       2.4851      0.00000
    136       2.6186      0.00000
    137       2.6385      0.00000
    138       2.7700      0.00000
    139       2.7994      0.00000
    140       2.8360      0.00000
    141       2.8507      0.00000
    142       2.8512      0.00000
    143       2.9325      0.00000
    144       3.1048      0.00000
    145       3.3216      0.00000
    146       3.3507      0.00000
    147       3.3895      0.00000
    148       3.4122      0.00000
    149       3.4352      0.00000
    150       3.6042      0.00000
    151       3.6446      0.00000
    152       3.6886      0.00000
    153       3.7404      0.00000
    154       3.9040      0.00000
    155       3.9343      0.00000
    156       3.9588      0.00000
    157       4.1087      0.00000
    158       4.2136      0.00000
    159       4.2720      0.00000
    160       4.2894      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2088      1.00000
      2     -22.1182      1.00000
      3     -21.9558      1.00000
      4     -21.4038      1.00000
      5     -21.0453      1.00000
      6     -21.0170      1.00000
      7     -20.4953      1.00000
      8     -20.4653      1.00000
      9     -20.2854      1.00000
     10     -20.2836      1.00000
     11     -19.9559      1.00000
     12     -19.8928      1.00000
     13     -18.8826      1.00000
     14     -18.8151      1.00000
     15     -18.3372      1.00000
     16     -18.3178      1.00000
     17     -18.1484      1.00000
     18     -18.1409      1.00000
     19     -17.8153      1.00000
     20     -17.7970      1.00000
     21     -17.2574      1.00000
     22     -17.2379      1.00000
     23     -17.1603      1.00000
     24     -17.1348      1.00000
     25     -16.1146      1.00000
     26     -15.8801      1.00000
     27     -15.8690      1.00000
     28     -15.8397      1.00000
     29     -15.2312      1.00000
     30     -14.5506      1.00000
     31     -14.5321      1.00000
     32     -14.2760      1.00000
     33     -13.9737      1.00000
     34     -13.9502      1.00000
     35     -13.8239      1.00000
     36     -13.8016      1.00000
     37     -13.6041      1.00000
     38     -13.5785      1.00000
     39     -13.3690      1.00000
     40     -12.6372      1.00000
     41     -12.1690      1.00000
     42     -12.1424      1.00000
     43     -12.0679      1.00000
     44     -12.0209      1.00000
     45     -11.6639      1.00000
     46     -11.6591      1.00000
     47     -11.1364      1.00000
     48     -11.1256      1.00000
     49     -10.7905      1.00000
     50     -10.7342      1.00000
     51     -10.5344      1.00000
     52     -10.2075      1.00000
     53     -10.2014      1.00000
     54     -10.1695      1.00000
     55     -10.0217      1.00000
     56      -9.9932      1.00000
     57      -9.9892      1.00000
     58      -9.8042      1.00000
     59      -9.7951      1.00000
     60      -9.7640      1.00000
     61      -9.7563      1.00000
     62      -9.4546      1.00000
     63      -9.4164      1.00000
     64      -9.0838      1.00000
     65      -9.0450      1.00000
     66      -9.0245      1.00000
     67      -8.9707      1.00000
     68      -8.8971      1.00000
     69      -8.7075      1.00000
     70      -8.6984      1.00000
     71      -8.5606      1.00000
     72      -8.5495      1.00000
     73      -8.4772      1.00000
     74      -8.4597      1.00000
     75      -8.4564      1.00000
     76      -8.3075      1.00000
     77      -8.0945      1.00000
     78      -8.0884      1.00000
     79      -7.9250      1.00000
     80      -7.8311      1.00000
     81      -7.6001      1.00000
     82      -7.5383      1.00000
     83      -7.4431      1.00000
     84      -7.3149      1.00000
     85      -6.9923      1.00000
     86      -6.9182      1.00000
     87      -6.8805      1.00000
     88      -6.5291      1.00000
     89      -6.5145      1.00000
     90      -6.4813      1.00000
     91      -6.4197      1.00000
     92      -5.9265      1.00000
     93      -5.9053      1.00000
     94      -5.7883      1.00000
     95      -5.7742      1.00000
     96      -5.3694      1.00000
     97      -5.3625      1.00000
     98      -5.2207      1.00000
     99      -5.2149      1.00000
    100      -5.1980      1.00000
    101      -4.7196      1.00000
    102      -4.4419      1.00000
    103      -4.1904      1.00000
    104      -3.8201      1.00000
    105      -3.5647      1.00000
    106      -3.2209      1.00000
    107      -2.5633      0.00000
    108      -1.4639      0.00000
    109      -1.2660      0.00000
    110      -1.1861      0.00000
    111      -1.1844      0.00000
    112      -0.6448      0.00000
    113      -0.5513      0.00000
    114      -0.4152      0.00000
    115      -0.3481      0.00000
    116      -0.0775      0.00000
    117      -0.0630      0.00000
    118       0.1261      0.00000
    119       0.5920      0.00000
    120       0.6262      0.00000
    121       0.8616      0.00000
    122       0.9928      0.00000
    123       1.0087      0.00000
    124       1.4992      0.00000
    125       1.6918      0.00000
    126       1.7861      0.00000
    127       1.8744      0.00000
    128       2.1232      0.00000
    129       2.1270      0.00000
    130       2.1840      0.00000
    131       2.2093      0.00000
    132       2.2514      0.00000
    133       2.3428      0.00000
    134       2.4972      0.00000
    135       2.5010      0.00000
    136       2.6759      0.00000
    137       2.8524      0.00000
    138       2.8609      0.00000
    139       2.9623      0.00000
    140       3.0207      0.00000
    141       3.0539      0.00000
    142       3.1433      0.00000
    143       3.1750      0.00000
    144       3.2510      0.00000
    145       3.2639      0.00000
    146       3.2846      0.00000
    147       3.3088      0.00000
    148       3.3608      0.00000
    149       3.4269      0.00000
    150       3.5593      0.00000
    151       3.5732      0.00000
    152       3.6558      0.00000
    153       3.6659      0.00000
    154       3.6865      0.00000
    155       3.7175      0.00000
    156       3.9039      0.00000
    157       3.9720      0.00000
    158       4.0499      0.00000
    159       4.0932      0.00000
    160       4.2005      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2824      1.00000
      2     -22.0778      1.00000
      3     -21.7195      1.00000
      4     -21.6803      1.00000
      5     -20.9820      1.00000
      6     -20.9343      1.00000
      7     -20.6106      1.00000
      8     -20.5784      1.00000
      9     -20.5649      1.00000
     10     -20.0315      1.00000
     11     -19.5124      1.00000
     12     -19.4828      1.00000
     13     -19.3106      1.00000
     14     -19.2978      1.00000
     15     -18.4490      1.00000
     16     -18.4059      1.00000
     17     -17.9268      1.00000
     18     -17.9067      1.00000
     19     -17.7654      1.00000
     20     -17.7205      1.00000
     21     -17.4409      1.00000
     22     -17.4227      1.00000
     23     -17.3380      1.00000
     24     -16.4704      1.00000
     25     -16.4598      1.00000
     26     -15.9688      1.00000
     27     -15.4105      1.00000
     28     -15.4097      1.00000
     29     -15.0957      1.00000
     30     -15.0924      1.00000
     31     -14.8531      1.00000
     32     -14.8413      1.00000
     33     -14.2966      1.00000
     34     -14.2531      1.00000
     35     -13.4432      1.00000
     36     -13.3995      1.00000
     37     -13.1748      1.00000
     38     -13.1737      1.00000
     39     -12.9841      1.00000
     40     -12.9753      1.00000
     41     -12.6106      1.00000
     42     -12.6088      1.00000
     43     -12.1957      1.00000
     44     -11.5795      1.00000
     45     -11.5384      1.00000
     46     -11.3134      1.00000
     47     -11.2831      1.00000
     48     -11.1409      1.00000
     49     -10.6918      1.00000
     50     -10.6628      1.00000
     51     -10.5460      1.00000
     52     -10.3213      1.00000
     53     -10.3137      1.00000
     54     -10.1747      1.00000
     55     -10.1212      1.00000
     56     -10.1077      1.00000
     57      -9.8104      1.00000
     58      -9.7513      1.00000
     59      -9.7510      1.00000
     60      -9.7012      1.00000
     61      -9.6975      1.00000
     62      -9.6458      1.00000
     63      -9.3518      1.00000
     64      -9.3501      1.00000
     65      -9.3182      1.00000
     66      -9.0269      1.00000
     67      -8.9611      1.00000
     68      -8.9572      1.00000
     69      -8.7745      1.00000
     70      -8.5922      1.00000
     71      -8.5874      1.00000
     72      -8.4229      1.00000
     73      -8.3489      1.00000
     74      -8.3228      1.00000
     75      -8.3017      1.00000
     76      -8.2661      1.00000
     77      -8.2550      1.00000
     78      -8.2397      1.00000
     79      -7.9208      1.00000
     80      -7.7335      1.00000
     81      -7.3779      1.00000
     82      -7.3485      1.00000
     83      -7.3239      1.00000
     84      -7.2160      1.00000
     85      -7.1595      1.00000
     86      -7.0644      1.00000
     87      -6.9599      1.00000
     88      -6.9043      1.00000
     89      -6.6149      1.00000
     90      -6.5550      1.00000
     91      -6.2726      1.00000
     92      -5.9963      1.00000
     93      -5.9590      1.00000
     94      -5.6744      1.00000
     95      -5.6480      1.00000
     96      -5.3874      1.00000
     97      -5.3152      1.00000
     98      -5.2936      1.00000
     99      -5.2114      1.00000
    100      -5.1999      1.00000
    101      -4.5112      1.00000
    102      -4.3380      1.00000
    103      -3.9959      1.00000
    104      -3.8852      1.00000
    105      -3.7925      1.00000
    106      -3.4429      1.00000
    107      -2.0351      0.00000
    108      -1.8646      0.00000
    109      -1.2180      0.00000
    110      -1.1829      0.00000
    111      -1.0365      0.00000
    112      -0.7729      0.00000
    113      -0.6770      0.00000
    114      -0.6605      0.00000
    115      -0.6093      0.00000
    116      -0.1015      0.00000
    117       0.2225      0.00000
    118       0.2399      0.00000
    119       0.7769      0.00000
    120       0.9898      0.00000
    121       1.0748      0.00000
    122       1.2420      0.00000
    123       1.2520      0.00000
    124       1.3470      0.00000
    125       1.5811      0.00000
    126       1.5844      0.00000
    127       1.7171      0.00000
    128       1.7997      0.00000
    129       1.9564      0.00000
    130       1.9799      0.00000
    131       2.0655      0.00000
    132       2.2752      0.00000
    133       2.3423      0.00000
    134       2.4269      0.00000
    135       2.5546      0.00000
    136       2.6347      0.00000
    137       2.7456      0.00000
    138       2.8116      0.00000
    139       2.8520      0.00000
    140       2.8764      0.00000
    141       3.0562      0.00000
    142       3.1094      0.00000
    143       3.1664      0.00000
    144       3.2309      0.00000
    145       3.3776      0.00000
    146       3.4190      0.00000
    147       3.5164      0.00000
    148       3.5657      0.00000
    149       3.5925      0.00000
    150       3.6173      0.00000
    151       3.6598      0.00000
    152       3.7420      0.00000
    153       3.7541      0.00000
    154       3.7738      0.00000
    155       3.7968      0.00000
    156       3.8774      0.00000
    157       4.0239      0.00000
    158       4.0976      0.00000
    159       4.1799      0.00000
    160       4.2235      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4255      1.00000
      2     -21.6023      1.00000
      3     -21.4806      1.00000
      4     -21.4716      1.00000
      5     -21.4400      1.00000
      6     -21.4393      1.00000
      7     -21.4291      1.00000
      8     -19.7065      1.00000
      9     -19.6520      1.00000
     10     -19.6289      1.00000
     11     -19.6175      1.00000
     12     -19.6122      1.00000
     13     -19.6113      1.00000
     14     -18.7888      1.00000
     15     -18.7540      1.00000
     16     -18.7342      1.00000
     17     -18.7249      1.00000
     18     -18.7175      1.00000
     19     -18.7120      1.00000
     20     -16.6342      1.00000
     21     -16.6091      1.00000
     22     -16.5843      1.00000
     23     -16.5804      1.00000
     24     -16.5541      1.00000
     25     -16.5520      1.00000
     26     -15.6127      1.00000
     27     -15.6017      1.00000
     28     -15.5985      1.00000
     29     -15.5647      1.00000
     30     -15.5627      1.00000
     31     -15.5601      1.00000
     32     -14.2588      1.00000
     33     -14.2501      1.00000
     34     -14.2402      1.00000
     35     -14.2352      1.00000
     36     -14.2219      1.00000
     37     -14.2186      1.00000
     38     -11.9046      1.00000
     39     -11.8785      1.00000
     40     -11.8680      1.00000
     41     -11.8651      1.00000
     42     -11.8451      1.00000
     43     -11.8440      1.00000
     44     -11.7702      1.00000
     45     -11.7680      1.00000
     46     -11.7348      1.00000
     47     -11.7283      1.00000
     48     -11.7248      1.00000
     49     -11.7212      1.00000
     50     -10.6748      1.00000
     51     -10.3875      1.00000
     52     -10.3835      1.00000
     53     -10.3766      1.00000
     54     -10.3669      1.00000
     55     -10.3554      1.00000
     56     -10.3530      1.00000
     57      -9.9028      1.00000
     58      -9.4495      1.00000
     59      -9.4045      1.00000
     60      -9.3615      1.00000
     61      -9.3610      1.00000
     62      -9.3531      1.00000
     63      -9.1411      1.00000
     64      -9.1223      1.00000
     65      -9.1205      1.00000
     66      -9.0849      1.00000
     67      -9.0708      1.00000
     68      -9.0701      1.00000
     69      -9.0700      1.00000
     70      -9.0644      1.00000
     71      -9.0634      1.00000
     72      -9.0386      1.00000
     73      -9.0286      1.00000
     74      -9.0252      1.00000
     75      -8.1292      1.00000
     76      -7.7457      1.00000
     77      -7.4691      1.00000
     78      -7.4653      1.00000
     79      -7.4541      1.00000
     80      -7.4337      1.00000
     81      -7.4237      1.00000
     82      -7.4064      1.00000
     83      -7.3120      1.00000
     84      -7.2702      1.00000
     85      -7.2564      1.00000
     86      -7.2482      1.00000
     87      -7.1499      1.00000
     88      -7.0494      1.00000
     89      -6.4453      1.00000
     90      -6.4151      1.00000
     91      -6.3997      1.00000
     92      -6.3632      1.00000
     93      -6.3523      1.00000
     94      -6.3405      1.00000
     95      -5.9601      1.00000
     96      -5.9564      1.00000
     97      -4.8057      1.00000
     98      -4.5438      1.00000
     99      -4.4819      1.00000
    100      -4.4734      1.00000
    101      -4.3824      1.00000
    102      -4.3811      1.00000
    103      -4.2674      1.00000
    104      -4.1867      1.00000
    105      -3.7390      1.00000
    106      -3.4771      1.00000
    107      -1.8623      0.00000
    108      -1.6697      0.00000
    109      -1.6240      0.00000
    110      -1.5924      0.00000
    111      -1.5756      0.00000
    112      -1.5755      0.00000
    113      -0.4289      0.00000
    114       0.1463      0.00000
    115       0.1912      0.00000
    116       0.2549      0.00000
    117       0.2677      0.00000
    118       0.2705      0.00000
    119       0.4765      0.00000
    120       0.5554      0.00000
    121       1.2571      0.00000
    122       1.2918      0.00000
    123       1.5487      0.00000
    124       1.7781      0.00000
    125       1.7794      0.00000
    126       1.7818      0.00000
    127       1.7823      0.00000
    128       1.8317      0.00000
    129       1.9573      0.00000
    130       1.9714      0.00000
    131       1.9739      0.00000
    132       1.9877      0.00000
    133       1.9956      0.00000
    134       2.0857      0.00000
    135       2.2632      0.00000
    136       2.3443      0.00000
    137       2.6302      0.00000
    138       2.6313      0.00000
    139       2.6610      0.00000
    140       2.7273      0.00000
    141       2.9449      0.00000
    142       3.0331      0.00000
    143       3.0431      0.00000
    144       3.0749      0.00000
    145       3.0764      0.00000
    146       3.0805      0.00000
    147       3.0999      0.00000
    148       3.2869      0.00000
    149       3.4536      0.00000
    150       3.5205      0.00000
    151       3.8266      0.00000
    152       3.9640      0.00000
    153       3.9775      0.00000
    154       3.9800      0.00000
    155       3.9868      0.00000
    156       4.0042      0.00000
    157       4.1912      0.00000
    158       4.2660      0.00000
    159       4.2764      0.00000
    160       4.2877      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3888      1.00000
      2     -21.8297      1.00000
      3     -21.6374      1.00000
      4     -21.6096      1.00000
      5     -21.2739      1.00000
      6     -21.2345      1.00000
      7     -21.0562      1.00000
      8     -20.1669      1.00000
      9     -20.1288      1.00000
     10     -19.6078      1.00000
     11     -19.5969      1.00000
     12     -19.4165      1.00000
     13     -19.0889      1.00000
     14     -19.0594      1.00000
     15     -19.0484      1.00000
     16     -19.0408      1.00000
     17     -18.3600      1.00000
     18     -18.3517      1.00000
     19     -18.0184      1.00000
     20     -17.0686      1.00000
     21     -17.0298      1.00000
     22     -16.9433      1.00000
     23     -16.9398      1.00000
     24     -16.4674      1.00000
     25     -16.4630      1.00000
     26     -15.6125      1.00000
     27     -15.6071      1.00000
     28     -15.2514      1.00000
     29     -15.2431      1.00000
     30     -15.1845      1.00000
     31     -15.0977      1.00000
     32     -15.0710      1.00000
     33     -14.6977      1.00000
     34     -14.6959      1.00000
     35     -13.7258      1.00000
     36     -13.7232      1.00000
     37     -13.2356      1.00000
     38     -12.6140      1.00000
     39     -12.5842      1.00000
     40     -12.4538      1.00000
     41     -12.4500      1.00000
     42     -12.1086      1.00000
     43     -12.1040      1.00000
     44     -11.7162      1.00000
     45     -11.6853      1.00000
     46     -11.2344      1.00000
     47     -11.2265      1.00000
     48     -11.0173      1.00000
     49     -11.0094      1.00000
     50     -10.9254      1.00000
     51     -10.9044      1.00000
     52     -10.6298      1.00000
     53     -10.1553      1.00000
     54     -10.1504      1.00000
     55     -10.0919      1.00000
     56      -9.9976      1.00000
     57      -9.7013      1.00000
     58      -9.6953      1.00000
     59      -9.6549      1.00000
     60      -9.5914      1.00000
     61      -9.5758      1.00000
     62      -9.5583      1.00000
     63      -9.3071      1.00000
     64      -9.3028      1.00000
     65      -9.2732      1.00000
     66      -9.2356      1.00000
     67      -9.1358      1.00000
     68      -9.1156      1.00000
     69      -9.1104      1.00000
     70      -8.9388      1.00000
     71      -8.8712      1.00000
     72      -8.6039      1.00000
     73      -8.5902      1.00000
     74      -8.2357      1.00000
     75      -8.1010      1.00000
     76      -7.9126      1.00000
     77      -7.8629      1.00000
     78      -7.7717      1.00000
     79      -7.7566      1.00000
     80      -7.6915      1.00000
     81      -7.5604      1.00000
     82      -7.3392      1.00000
     83      -7.3229      1.00000
     84      -7.2037      1.00000
     85      -7.1231      1.00000
     86      -7.0315      1.00000
     87      -7.0114      1.00000
     88      -6.7037      1.00000
     89      -6.6775      1.00000
     90      -6.6404      1.00000
     91      -6.5975      1.00000
     92      -6.1169      1.00000
     93      -6.0614      1.00000
     94      -6.0303      1.00000
     95      -6.0114      1.00000
     96      -5.7825      1.00000
     97      -4.9737      1.00000
     98      -4.8320      1.00000
     99      -4.7467      1.00000
    100      -4.6787      1.00000
    101      -4.4683      1.00000
    102      -4.2031      1.00000
    103      -4.1721      1.00000
    104      -4.1276      1.00000
    105      -3.7294      1.00000
    106      -3.4873      1.00000
    107      -1.8706      0.00000
    108      -1.8081      0.00000
    109      -1.5250      0.00000
    110      -1.3769      0.00000
    111      -1.3220      0.00000
    112      -1.2888      0.00000
    113      -0.7206      0.00000
    114      -0.3764      0.00000
    115      -0.2494      0.00000
    116       0.0368      0.00000
    117       0.5616      0.00000
    118       0.6999      0.00000
    119       0.7461      0.00000
    120       1.0487      0.00000
    121       1.0987      0.00000
    122       1.1531      0.00000
    123       1.2281      0.00000
    124       1.3846      0.00000
    125       1.5299      0.00000
    126       1.5965      0.00000
    127       1.7195      0.00000
    128       1.8043      0.00000
    129       1.8569      0.00000
    130       1.8824      0.00000
    131       2.0994      0.00000
    132       2.1983      0.00000
    133       2.2464      0.00000
    134       2.3182      0.00000
    135       2.5237      0.00000
    136       2.6046      0.00000
    137       2.6245      0.00000
    138       2.7857      0.00000
    139       2.7987      0.00000
    140       2.8256      0.00000
    141       2.8399      0.00000
    142       2.9059      0.00000
    143       2.9361      0.00000
    144       3.0991      0.00000
    145       3.1663      0.00000
    146       3.3250      0.00000
    147       3.3642      0.00000
    148       3.4117      0.00000
    149       3.4772      0.00000
    150       3.6167      0.00000
    151       3.6468      0.00000
    152       3.6747      0.00000
    153       3.7210      0.00000
    154       3.9249      0.00000
    155       3.9660      0.00000
    156       4.0248      0.00000
    157       4.0706      0.00000
    158       4.2520      0.00000
    159       4.2618      0.00000
    160       4.2830      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2828      1.00000
      2     -22.0772      1.00000
      3     -21.7159      1.00000
      4     -21.6841      1.00000
      5     -20.9787      1.00000
      6     -20.9381      1.00000
      7     -20.6111      1.00000
      8     -20.5746      1.00000
      9     -20.5682      1.00000
     10     -20.0320      1.00000
     11     -19.5026      1.00000
     12     -19.4911      1.00000
     13     -19.3061      1.00000
     14     -19.3010      1.00000
     15     -18.4470      1.00000
     16     -18.4104      1.00000
     17     -17.9216      1.00000
     18     -17.9124      1.00000
     19     -17.7610      1.00000
     20     -17.7253      1.00000
     21     -17.4353      1.00000
     22     -17.4281      1.00000
     23     -17.3403      1.00000
     24     -16.4624      1.00000
     25     -16.4613      1.00000
     26     -15.9667      1.00000
     27     -15.4129      1.00000
     28     -15.4086      1.00000
     29     -15.0954      1.00000
     30     -15.0928      1.00000
     31     -14.8542      1.00000
     32     -14.8469      1.00000
     33     -14.2901      1.00000
     34     -14.2574      1.00000
     35     -13.4365      1.00000
     36     -13.4042      1.00000
     37     -13.1769      1.00000
     38     -13.1734      1.00000
     39     -12.9812      1.00000
     40     -12.9764      1.00000
     41     -12.6125      1.00000
     42     -12.6090      1.00000
     43     -12.1977      1.00000
     44     -11.5755      1.00000
     45     -11.5417      1.00000
     46     -11.3095      1.00000
     47     -11.2869      1.00000
     48     -11.1421      1.00000
     49     -10.6757      1.00000
     50     -10.6606      1.00000
     51     -10.5519      1.00000
     52     -10.3235      1.00000
     53     -10.3169      1.00000
     54     -10.1683      1.00000
     55     -10.1156      1.00000
     56     -10.1118      1.00000
     57      -9.7973      1.00000
     58      -9.7652      1.00000
     59      -9.7511      1.00000
     60      -9.6991      1.00000
     61      -9.6973      1.00000
     62      -9.6612      1.00000
     63      -9.3548      1.00000
     64      -9.3506      1.00000
     65      -9.3145      1.00000
     66      -9.0401      1.00000
     67      -8.9627      1.00000
     68      -8.9481      1.00000
     69      -8.7987      1.00000
     70      -8.5939      1.00000
     71      -8.5568      1.00000
     72      -8.3976      1.00000
     73      -8.3640      1.00000
     74      -8.3239      1.00000
     75      -8.3065      1.00000
     76      -8.2586      1.00000
     77      -8.2563      1.00000
     78      -8.2355      1.00000
     79      -7.9041      1.00000
     80      -7.6507      1.00000
     81      -7.5492      1.00000
     82      -7.3869      1.00000
     83      -7.3499      1.00000
     84      -7.2316      1.00000
     85      -7.0958      1.00000
     86      -7.0385      1.00000
     87      -6.9332      1.00000
     88      -6.8482      1.00000
     89      -6.6116      1.00000
     90      -6.5596      1.00000
     91      -6.2688      1.00000
     92      -6.0430      1.00000
     93      -5.9509      1.00000
     94      -5.6619      1.00000
     95      -5.6227      1.00000
     96      -5.4625      1.00000
     97      -5.3191      1.00000
     98      -5.2783      1.00000
     99      -5.2131      1.00000
    100      -5.1940      1.00000
    101      -4.5080      1.00000
    102      -4.2072      1.00000
    103      -4.0590      1.00000
    104      -3.9893      1.00000
    105      -3.6942      1.00000
    106      -3.4975      1.00000
    107      -1.9461      0.00000
    108      -1.8959      0.00000
    109      -1.3396      0.00000
    110      -1.0854      0.00000
    111      -1.0576      0.00000
    112      -0.8009      0.00000
    113      -0.6769      0.00000
    114      -0.6475      0.00000
    115      -0.6081      0.00000
    116      -0.1082      0.00000
    117       0.2147      0.00000
    118       0.3287      0.00000
    119       0.7005      0.00000
    120       0.8930      0.00000
    121       1.1287      0.00000
    122       1.1990      0.00000
    123       1.3326      0.00000
    124       1.4284      0.00000
    125       1.5566      0.00000
    126       1.5773      0.00000
    127       1.6921      0.00000
    128       1.8113      0.00000
    129       1.8895      0.00000
    130       2.0626      0.00000
    131       2.1128      0.00000
    132       2.3121      0.00000
    133       2.3543      0.00000
    134       2.4088      0.00000
    135       2.5608      0.00000
    136       2.6365      0.00000
    137       2.7358      0.00000
    138       2.7393      0.00000
    139       2.8094      0.00000
    140       2.8908      0.00000
    141       3.0565      0.00000
    142       3.0672      0.00000
    143       3.1768      0.00000
    144       3.2732      0.00000
    145       3.3678      0.00000
    146       3.4233      0.00000
    147       3.4443      0.00000
    148       3.5707      0.00000
    149       3.5894      0.00000
    150       3.6134      0.00000
    151       3.6629      0.00000
    152       3.6825      0.00000
    153       3.7786      0.00000
    154       3.7901      0.00000
    155       3.8102      0.00000
    156       3.8950      0.00000
    157       3.9335      0.00000
    158       3.9981      0.00000
    159       4.2239      0.00000
    160       4.2305      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3168      1.00000
      2     -21.9621      1.00000
      3     -21.8929      1.00000
      4     -21.3802      1.00000
      5     -21.3509      1.00000
      6     -20.8390      1.00000
      7     -20.7737      1.00000
      8     -20.6234      1.00000
      9     -20.0769      1.00000
     10     -20.0713      1.00000
     11     -19.7162      1.00000
     12     -19.6916      1.00000
     13     -18.9958      1.00000
     14     -18.9900      1.00000
     15     -18.6401      1.00000
     16     -18.6240      1.00000
     17     -18.4616      1.00000
     18     -17.6748      1.00000
     19     -17.6243      1.00000
     20     -17.6216      1.00000
     21     -17.5797      1.00000
     22     -17.1262      1.00000
     23     -17.1044      1.00000
     24     -16.9621      1.00000
     25     -16.0019      1.00000
     26     -15.9277      1.00000
     27     -15.5854      1.00000
     28     -15.5852      1.00000
     29     -15.2854      1.00000
     30     -14.8641      1.00000
     31     -14.8366      1.00000
     32     -14.5787      1.00000
     33     -14.5368      1.00000
     34     -14.1675      1.00000
     35     -14.1540      1.00000
     36     -13.1486      1.00000
     37     -13.1003      1.00000
     38     -13.0294      1.00000
     39     -13.0193      1.00000
     40     -12.7089      1.00000
     41     -12.7049      1.00000
     42     -12.3407      1.00000
     43     -12.3095      1.00000
     44     -11.6349      1.00000
     45     -11.6213      1.00000
     46     -11.5705      1.00000
     47     -10.9484      1.00000
     48     -10.9155      1.00000
     49     -10.6321      1.00000
     50     -10.6251      1.00000
     51     -10.5468      1.00000
     52     -10.4990      1.00000
     53     -10.4987      1.00000
     54     -10.4406      1.00000
     55     -10.3607      1.00000
     56     -10.0984      1.00000
     57      -9.9026      1.00000
     58      -9.6090      1.00000
     59      -9.5566      1.00000
     60      -9.4517      1.00000
     61      -9.4113      1.00000
     62      -9.4046      1.00000
     63      -9.3774      1.00000
     64      -9.3773      1.00000
     65      -9.2865      1.00000
     66      -9.1674      1.00000
     67      -9.1421      1.00000
     68      -9.1132      1.00000
     69      -8.8639      1.00000
     70      -8.8564      1.00000
     71      -8.8143      1.00000
     72      -8.5961      1.00000
     73      -8.4791      1.00000
     74      -8.1978      1.00000
     75      -8.1625      1.00000
     76      -8.0083      1.00000
     77      -7.9633      1.00000
     78      -7.8516      1.00000
     79      -7.8411      1.00000
     80      -7.7041      1.00000
     81      -7.6972      1.00000
     82      -7.6217      1.00000
     83      -7.4484      1.00000
     84      -7.3001      1.00000
     85      -7.2531      1.00000
     86      -6.9059      1.00000
     87      -6.8923      1.00000
     88      -6.5881      1.00000
     89      -6.5508      1.00000
     90      -6.4080      1.00000
     91      -6.2532      1.00000
     92      -6.2329      1.00000
     93      -6.2035      1.00000
     94      -6.0222      1.00000
     95      -5.5492      1.00000
     96      -5.4881      1.00000
     97      -5.3495      1.00000
     98      -5.2189      1.00000
     99      -4.9799      1.00000
    100      -4.7320      1.00000
    101      -4.6777      1.00000
    102      -4.3872      1.00000
    103      -4.2026      1.00000
    104      -3.8708      1.00000
    105      -3.5469      1.00000
    106      -3.5094      1.00000
    107      -2.2554      0.00000
    108      -1.4568      0.00000
    109      -1.3703      0.00000
    110      -1.2417      0.00000
    111      -1.0987      0.00000
    112      -0.9459      0.00000
    113      -0.8647      0.00000
    114      -0.8042      0.00000
    115      -0.1393      0.00000
    116       0.1117      0.00000
    117       0.2408      0.00000
    118       0.3768      0.00000
    119       0.6585      0.00000
    120       0.8360      0.00000
    121       0.9362      0.00000
    122       1.0688      0.00000
    123       1.2406      0.00000
    124       1.4523      0.00000
    125       1.5663      0.00000
    126       1.7658      0.00000
    127       1.7931      0.00000
    128       1.8692      0.00000
    129       1.9849      0.00000
    130       2.0451      0.00000
    131       2.1888      0.00000
    132       2.1894      0.00000
    133       2.4223      0.00000
    134       2.4372      0.00000
    135       2.5124      0.00000
    136       2.6042      0.00000
    137       2.6351      0.00000
    138       2.7039      0.00000
    139       2.7896      0.00000
    140       2.8483      0.00000
    141       2.9635      0.00000
    142       3.0944      0.00000
    143       3.1916      0.00000
    144       3.2120      0.00000
    145       3.2443      0.00000
    146       3.3325      0.00000
    147       3.3440      0.00000
    148       3.4748      0.00000
    149       3.5142      0.00000
    150       3.6987      0.00000
    151       3.7205      0.00000
    152       3.7296      0.00000
    153       3.8650      0.00000
    154       3.9109      0.00000
    155       3.9587      0.00000
    156       3.9817      0.00000
    157       4.0024      0.00000
    158       4.0357      0.00000
    159       4.0587      0.00000
    160       4.0729      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2097      1.00000
      2     -22.1169      1.00000
      3     -21.9561      1.00000
      4     -21.4037      1.00000
      5     -21.0491      1.00000
      6     -21.0133      1.00000
      7     -20.5000      1.00000
      8     -20.4607      1.00000
      9     -20.2943      1.00000
     10     -20.2750      1.00000
     11     -19.9569      1.00000
     12     -19.8912      1.00000
     13     -18.8819      1.00000
     14     -18.8133      1.00000
     15     -18.3522      1.00000
     16     -18.3062      1.00000
     17     -18.1526      1.00000
     18     -18.1354      1.00000
     19     -17.8262      1.00000
     20     -17.7888      1.00000
     21     -17.2513      1.00000
     22     -17.2416      1.00000
     23     -17.1642      1.00000
     24     -17.1325      1.00000
     25     -16.1098      1.00000
     26     -15.8844      1.00000
     27     -15.8696      1.00000
     28     -15.8341      1.00000
     29     -15.2360      1.00000
     30     -14.5545      1.00000
     31     -14.5268      1.00000
     32     -14.2797      1.00000
     33     -13.9638      1.00000
     34     -13.9563      1.00000
     35     -13.8203      1.00000
     36     -13.8047      1.00000
     37     -13.6141      1.00000
     38     -13.5704      1.00000
     39     -13.3693      1.00000
     40     -12.6342      1.00000
     41     -12.1805      1.00000
     42     -12.1326      1.00000
     43     -12.0711      1.00000
     44     -12.0190      1.00000
     45     -11.6698      1.00000
     46     -11.6563      1.00000
     47     -11.1387      1.00000
     48     -11.1182      1.00000
     49     -10.7939      1.00000
     50     -10.7304      1.00000
     51     -10.5276      1.00000
     52     -10.2091      1.00000
     53     -10.2049      1.00000
     54     -10.1638      1.00000
     55     -10.0178      1.00000
     56     -10.0036      1.00000
     57      -9.9902      1.00000
     58      -9.8010      1.00000
     59      -9.7976      1.00000
     60      -9.7625      1.00000
     61      -9.7577      1.00000
     62      -9.4539      1.00000
     63      -9.4165      1.00000
     64      -9.0797      1.00000
     65      -9.0728      1.00000
     66      -9.0405      1.00000
     67      -8.9547      1.00000
     68      -8.8765      1.00000
     69      -8.7121      1.00000
     70      -8.6998      1.00000
     71      -8.5652      1.00000
     72      -8.5423      1.00000
     73      -8.4985      1.00000
     74      -8.4633      1.00000
     75      -8.4520      1.00000
     76      -8.2597      1.00000
     77      -8.1247      1.00000
     78      -8.0426      1.00000
     79      -7.9162      1.00000
     80      -7.8626      1.00000
     81      -7.6143      1.00000
     82      -7.5480      1.00000
     83      -7.4896      1.00000
     84      -7.2684      1.00000
     85      -6.9962      1.00000
     86      -6.9237      1.00000
     87      -6.8829      1.00000
     88      -6.5318      1.00000
     89      -6.4864      1.00000
     90      -6.4608      1.00000
     91      -6.4098      1.00000
     92      -5.9831      1.00000
     93      -5.8969      1.00000
     94      -5.7838      1.00000
     95      -5.7595      1.00000
     96      -5.4313      1.00000
     97      -5.3289      1.00000
     98      -5.2295      1.00000
     99      -5.2169      1.00000
    100      -5.1887      1.00000
    101      -4.6919      1.00000
    102      -4.4212      1.00000
    103      -4.2091      1.00000
    104      -3.8338      1.00000
    105      -3.5285      1.00000
    106      -3.2745      1.00000
    107      -2.5308      0.00000
    108      -1.4585      0.00000
    109      -1.2663      0.00000
    110      -1.2031      0.00000
    111      -1.1724      0.00000
    112      -0.7201      0.00000
    113      -0.5039      0.00000
    114      -0.4126      0.00000
    115      -0.3395      0.00000
    116      -0.1466      0.00000
    117      -0.0036      0.00000
    118       0.1937      0.00000
    119       0.5617      0.00000
    120       0.6123      0.00000
    121       0.8019      0.00000
    122       0.9135      0.00000
    123       1.1395      0.00000
    124       1.5037      0.00000
    125       1.6427      0.00000
    126       1.8705      0.00000
    127       1.9370      0.00000
    128       2.1146      0.00000
    129       2.1264      0.00000
    130       2.1296      0.00000
    131       2.1762      0.00000
    132       2.2796      0.00000
    133       2.3273      0.00000
    134       2.4599      0.00000
    135       2.5792      0.00000
    136       2.6653      0.00000
    137       2.8606      0.00000
    138       2.8720      0.00000
    139       2.9013      0.00000
    140       3.0326      0.00000
    141       3.0383      0.00000
    142       3.1496      0.00000
    143       3.1640      0.00000
    144       3.2402      0.00000
    145       3.2813      0.00000
    146       3.2897      0.00000
    147       3.3060      0.00000
    148       3.3522      0.00000
    149       3.4330      0.00000
    150       3.4525      0.00000
    151       3.5617      0.00000
    152       3.6268      0.00000
    153       3.6884      0.00000
    154       3.7194      0.00000
    155       3.7844      0.00000
    156       3.9011      0.00000
    157       3.9522      0.00000
    158       4.0158      0.00000
    159       4.1491      0.00000
    160       4.2378      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3166      1.00000
      2     -21.9636      1.00000
      3     -21.8915      1.00000
      4     -21.3839      1.00000
      5     -21.3475      1.00000
      6     -20.8387      1.00000
      7     -20.7724      1.00000
      8     -20.6243      1.00000
      9     -20.0889      1.00000
     10     -20.0602      1.00000
     11     -19.7178      1.00000
     12     -19.6891      1.00000
     13     -19.0092      1.00000
     14     -18.9782      1.00000
     15     -18.6492      1.00000
     16     -18.6165      1.00000
     17     -18.4601      1.00000
     18     -17.6599      1.00000
     19     -17.6464      1.00000
     20     -17.6101      1.00000
     21     -17.5775      1.00000
     22     -17.1367      1.00000
     23     -17.0969      1.00000
     24     -16.9652      1.00000
     25     -16.0075      1.00000
     26     -15.9228      1.00000
     27     -15.5981      1.00000
     28     -15.5747      1.00000
     29     -15.2798      1.00000
     30     -14.8759      1.00000
     31     -14.8291      1.00000
     32     -14.5742      1.00000
     33     -14.5366      1.00000
     34     -14.1637      1.00000
     35     -14.1596      1.00000
     36     -13.1614      1.00000
     37     -13.0951      1.00000
     38     -13.0226      1.00000
     39     -13.0182      1.00000
     40     -12.7174      1.00000
     41     -12.6942      1.00000
     42     -12.3400      1.00000
     43     -12.3129      1.00000
     44     -11.6315      1.00000
     45     -11.6225      1.00000
     46     -11.5699      1.00000
     47     -10.9405      1.00000
     48     -10.9225      1.00000
     49     -10.6683      1.00000
     50     -10.5893      1.00000
     51     -10.5723      1.00000
     52     -10.5008      1.00000
     53     -10.4881      1.00000
     54     -10.4383      1.00000
     55     -10.3554      1.00000
     56     -10.1028      1.00000
     57      -9.8969      1.00000
     58      -9.6078      1.00000
     59      -9.5507      1.00000
     60      -9.4534      1.00000
     61      -9.4182      1.00000
     62      -9.4087      1.00000
     63      -9.3787      1.00000
     64      -9.3712      1.00000
     65      -9.2667      1.00000
     66      -9.1655      1.00000
     67      -9.1413      1.00000
     68      -9.1158      1.00000
     69      -8.8658      1.00000
     70      -8.8599      1.00000
     71      -8.8016      1.00000
     72      -8.5957      1.00000
     73      -8.5259      1.00000
     74      -8.1932      1.00000
     75      -8.1703      1.00000
     76      -8.0751      1.00000
     77      -7.8568      1.00000
     78      -7.8366      1.00000
     79      -7.8229      1.00000
     80      -7.7103      1.00000
     81      -7.6958      1.00000
     82      -7.5968      1.00000
     83      -7.5299      1.00000
     84      -7.3497      1.00000
     85      -7.1680      1.00000
     86      -6.9055      1.00000
     87      -6.8953      1.00000
     88      -6.5917      1.00000
     89      -6.5511      1.00000
     90      -6.4052      1.00000
     91      -6.3015      1.00000
     92      -6.2468      1.00000
     93      -6.2017      1.00000
     94      -6.0036      1.00000
     95      -5.5311      1.00000
     96      -5.4655      1.00000
     97      -5.3138      1.00000
     98      -5.2093      1.00000
     99      -5.0461      1.00000
    100      -4.7228      1.00000
    101      -4.6714      1.00000
    102      -4.4236      1.00000
    103      -4.1943      1.00000
    104      -3.8425      1.00000
    105      -3.6338      1.00000
    106      -3.4159      1.00000
    107      -2.2930      0.00000
    108      -1.5099      0.00000
    109      -1.2704      0.00000
    110      -1.2625      0.00000
    111      -1.0348      0.00000
    112      -0.9769      0.00000
    113      -0.8682      0.00000
    114      -0.7998      0.00000
    115      -0.2617      0.00000
    116       0.2035      0.00000
    117       0.2390      0.00000
    118       0.3601      0.00000
    119       0.6969      0.00000
    120       0.8943      0.00000
    121       0.9237      0.00000
    122       1.0454      0.00000
    123       1.1730      0.00000
    124       1.5150      0.00000
    125       1.5739      0.00000
    126       1.7161      0.00000
    127       1.7793      0.00000
    128       1.8320      0.00000
    129       1.9584      0.00000
    130       2.0004      0.00000
    131       2.1782      0.00000
    132       2.2772      0.00000
    133       2.4269      0.00000
    134       2.4437      0.00000
    135       2.5084      0.00000
    136       2.6011      0.00000
    137       2.6179      0.00000
    138       2.7081      0.00000
    139       2.7679      0.00000
    140       2.8768      0.00000
    141       3.0458      0.00000
    142       3.0928      0.00000
    143       3.1865      0.00000
    144       3.2396      0.00000
    145       3.2457      0.00000
    146       3.3056      0.00000
    147       3.3696      0.00000
    148       3.4610      0.00000
    149       3.5332      0.00000
    150       3.6984      0.00000
    151       3.7185      0.00000
    152       3.7544      0.00000
    153       3.8355      0.00000
    154       3.8929      0.00000
    155       3.9441      0.00000
    156       3.9854      0.00000
    157       4.0076      0.00000
    158       4.0280      0.00000
    159       4.0490      0.00000
    160       4.0837      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3888      1.00000
      2     -21.8300      1.00000
      3     -21.6407      1.00000
      4     -21.6057      1.00000
      5     -21.2780      1.00000
      6     -21.2311      1.00000
      7     -21.0557      1.00000
      8     -20.1707      1.00000
      9     -20.1247      1.00000
     10     -19.6160      1.00000
     11     -19.5903      1.00000
     12     -19.4150      1.00000
     13     -19.0939      1.00000
     14     -19.0552      1.00000
     15     -19.0510      1.00000
     16     -19.0382      1.00000
     17     -18.3660      1.00000
     18     -18.3466      1.00000
     19     -18.0162      1.00000
     20     -17.0719      1.00000
     21     -17.0232      1.00000
     22     -16.9490      1.00000
     23     -16.9353      1.00000
     24     -16.4743      1.00000
     25     -16.4621      1.00000
     26     -15.6092      1.00000
     27     -15.6086      1.00000
     28     -15.2496      1.00000
     29     -15.2379      1.00000
     30     -15.1903      1.00000
     31     -15.1001      1.00000
     32     -15.0672      1.00000
     33     -14.6978      1.00000
     34     -14.6971      1.00000
     35     -13.7248      1.00000
     36     -13.7246      1.00000
     37     -13.2342      1.00000
     38     -12.6232      1.00000
     39     -12.5793      1.00000
     40     -12.4536      1.00000
     41     -12.4484      1.00000
     42     -12.1052      1.00000
     43     -12.1007      1.00000
     44     -11.7215      1.00000
     45     -11.6829      1.00000
     46     -11.2447      1.00000
     47     -11.2242      1.00000
     48     -11.0167      1.00000
     49     -11.0051      1.00000
     50     -10.9277      1.00000
     51     -10.8990      1.00000
     52     -10.6359      1.00000
     53     -10.1711      1.00000
     54     -10.1479      1.00000
     55     -10.0836      1.00000
     56      -9.9910      1.00000
     57      -9.6960      1.00000
     58      -9.6894      1.00000
     59      -9.6695      1.00000
     60      -9.5912      1.00000
     61      -9.5673      1.00000
     62      -9.5530      1.00000
     63      -9.3119      1.00000
     64      -9.2992      1.00000
     65      -9.2823      1.00000
     66      -9.2433      1.00000
     67      -9.1213      1.00000
     68      -9.1117      1.00000
     69      -9.1099      1.00000
     70      -8.9387      1.00000
     71      -8.8756      1.00000
     72      -8.6056      1.00000
     73      -8.5867      1.00000
     74      -8.2702      1.00000
     75      -8.1000      1.00000
     76      -7.8683      1.00000
     77      -7.8428      1.00000
     78      -7.7901      1.00000
     79      -7.7641      1.00000
     80      -7.7551      1.00000
     81      -7.4473      1.00000
     82      -7.3335      1.00000
     83      -7.3221      1.00000
     84      -7.2654      1.00000
     85      -7.1617      1.00000
     86      -7.0161      1.00000
     87      -6.9863      1.00000
     88      -6.7169      1.00000
     89      -6.6897      1.00000
     90      -6.6312      1.00000
     91      -6.5903      1.00000
     92      -6.1159      1.00000
     93      -6.0593      1.00000
     94      -6.0437      1.00000
     95      -6.0293      1.00000
     96      -5.7480      1.00000
     97      -4.9741      1.00000
     98      -4.8389      1.00000
     99      -4.7091      1.00000
    100      -4.6736      1.00000
    101      -4.4833      1.00000
    102      -4.3515      1.00000
    103      -4.1113      1.00000
    104      -4.0549      1.00000
    105      -3.7547      1.00000
    106      -3.4650      1.00000
    107      -1.9511      0.00000
    108      -1.7722      0.00000
    109      -1.4800      0.00000
    110      -1.3561      0.00000
    111      -1.3356      0.00000
    112      -1.2920      0.00000
    113      -0.6778      0.00000
    114      -0.4721      0.00000
    115      -0.2362      0.00000
    116       0.0514      0.00000
    117       0.5946      0.00000
    118       0.6916      0.00000
    119       0.7692      0.00000
    120       1.0234      0.00000
    121       1.0967      0.00000
    122       1.1791      0.00000
    123       1.2524      0.00000
    124       1.3405      0.00000
    125       1.4429      0.00000
    126       1.6125      0.00000
    127       1.7560      0.00000
    128       1.8451      0.00000
    129       1.8565      0.00000
    130       1.8908      0.00000
    131       2.0424      0.00000
    132       2.2239      0.00000
    133       2.2460      0.00000
    134       2.3010      0.00000
    135       2.4851      0.00000
    136       2.6186      0.00000
    137       2.6385      0.00000
    138       2.7700      0.00000
    139       2.7994      0.00000
    140       2.8360      0.00000
    141       2.8507      0.00000
    142       2.8512      0.00000
    143       2.9325      0.00000
    144       3.1048      0.00000
    145       3.3216      0.00000
    146       3.3507      0.00000
    147       3.3895      0.00000
    148       3.4122      0.00000
    149       3.4352      0.00000
    150       3.6042      0.00000
    151       3.6446      0.00000
    152       3.6886      0.00000
    153       3.7404      0.00000
    154       3.9040      0.00000
    155       3.9343      0.00000
    156       3.9588      0.00000
    157       4.1087      0.00000
    158       4.2136      0.00000
    159       4.2720      0.00000
    160       4.2894      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2088      1.00000
      2     -22.1182      1.00000
      3     -21.9558      1.00000
      4     -21.4038      1.00000
      5     -21.0453      1.00000
      6     -21.0170      1.00000
      7     -20.4953      1.00000
      8     -20.4653      1.00000
      9     -20.2854      1.00000
     10     -20.2836      1.00000
     11     -19.9559      1.00000
     12     -19.8928      1.00000
     13     -18.8826      1.00000
     14     -18.8151      1.00000
     15     -18.3372      1.00000
     16     -18.3178      1.00000
     17     -18.1484      1.00000
     18     -18.1409      1.00000
     19     -17.8153      1.00000
     20     -17.7970      1.00000
     21     -17.2574      1.00000
     22     -17.2379      1.00000
     23     -17.1603      1.00000
     24     -17.1348      1.00000
     25     -16.1146      1.00000
     26     -15.8801      1.00000
     27     -15.8690      1.00000
     28     -15.8397      1.00000
     29     -15.2312      1.00000
     30     -14.5506      1.00000
     31     -14.5321      1.00000
     32     -14.2760      1.00000
     33     -13.9737      1.00000
     34     -13.9502      1.00000
     35     -13.8239      1.00000
     36     -13.8016      1.00000
     37     -13.6041      1.00000
     38     -13.5785      1.00000
     39     -13.3690      1.00000
     40     -12.6372      1.00000
     41     -12.1690      1.00000
     42     -12.1424      1.00000
     43     -12.0679      1.00000
     44     -12.0209      1.00000
     45     -11.6639      1.00000
     46     -11.6591      1.00000
     47     -11.1364      1.00000
     48     -11.1256      1.00000
     49     -10.7905      1.00000
     50     -10.7342      1.00000
     51     -10.5344      1.00000
     52     -10.2075      1.00000
     53     -10.2014      1.00000
     54     -10.1695      1.00000
     55     -10.0217      1.00000
     56      -9.9932      1.00000
     57      -9.9892      1.00000
     58      -9.8042      1.00000
     59      -9.7951      1.00000
     60      -9.7640      1.00000
     61      -9.7563      1.00000
     62      -9.4546      1.00000
     63      -9.4164      1.00000
     64      -9.0838      1.00000
     65      -9.0450      1.00000
     66      -9.0245      1.00000
     67      -8.9707      1.00000
     68      -8.8971      1.00000
     69      -8.7075      1.00000
     70      -8.6984      1.00000
     71      -8.5606      1.00000
     72      -8.5495      1.00000
     73      -8.4772      1.00000
     74      -8.4597      1.00000
     75      -8.4564      1.00000
     76      -8.3075      1.00000
     77      -8.0945      1.00000
     78      -8.0884      1.00000
     79      -7.9250      1.00000
     80      -7.8311      1.00000
     81      -7.6001      1.00000
     82      -7.5383      1.00000
     83      -7.4431      1.00000
     84      -7.3149      1.00000
     85      -6.9923      1.00000
     86      -6.9182      1.00000
     87      -6.8805      1.00000
     88      -6.5291      1.00000
     89      -6.5145      1.00000
     90      -6.4813      1.00000
     91      -6.4197      1.00000
     92      -5.9265      1.00000
     93      -5.9053      1.00000
     94      -5.7883      1.00000
     95      -5.7742      1.00000
     96      -5.3694      1.00000
     97      -5.3625      1.00000
     98      -5.2207      1.00000
     99      -5.2149      1.00000
    100      -5.1980      1.00000
    101      -4.7196      1.00000
    102      -4.4419      1.00000
    103      -4.1904      1.00000
    104      -3.8201      1.00000
    105      -3.5647      1.00000
    106      -3.2209      1.00000
    107      -2.5633      0.00000
    108      -1.4639      0.00000
    109      -1.2660      0.00000
    110      -1.1861      0.00000
    111      -1.1844      0.00000
    112      -0.6448      0.00000
    113      -0.5513      0.00000
    114      -0.4152      0.00000
    115      -0.3481      0.00000
    116      -0.0775      0.00000
    117      -0.0630      0.00000
    118       0.1261      0.00000
    119       0.5920      0.00000
    120       0.6262      0.00000
    121       0.8616      0.00000
    122       0.9928      0.00000
    123       1.0087      0.00000
    124       1.4992      0.00000
    125       1.6918      0.00000
    126       1.7861      0.00000
    127       1.8744      0.00000
    128       2.1232      0.00000
    129       2.1270      0.00000
    130       2.1840      0.00000
    131       2.2093      0.00000
    132       2.2514      0.00000
    133       2.3428      0.00000
    134       2.4972      0.00000
    135       2.5010      0.00000
    136       2.6759      0.00000
    137       2.8524      0.00000
    138       2.8609      0.00000
    139       2.9623      0.00000
    140       3.0207      0.00000
    141       3.0539      0.00000
    142       3.1433      0.00000
    143       3.1750      0.00000
    144       3.2510      0.00000
    145       3.2639      0.00000
    146       3.2846      0.00000
    147       3.3088      0.00000
    148       3.3608      0.00000
    149       3.4269      0.00000
    150       3.5593      0.00000
    151       3.5732      0.00000
    152       3.6558      0.00000
    153       3.6659      0.00000
    154       3.6865      0.00000
    155       3.7175      0.00000
    156       3.9039      0.00000
    157       3.9720      0.00000
    158       4.0499      0.00000
    159       4.0932      0.00000
    160       4.2005      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2824      1.00000
      2     -22.0778      1.00000
      3     -21.7195      1.00000
      4     -21.6803      1.00000
      5     -20.9820      1.00000
      6     -20.9343      1.00000
      7     -20.6106      1.00000
      8     -20.5784      1.00000
      9     -20.5649      1.00000
     10     -20.0315      1.00000
     11     -19.5124      1.00000
     12     -19.4828      1.00000
     13     -19.3106      1.00000
     14     -19.2978      1.00000
     15     -18.4490      1.00000
     16     -18.4059      1.00000
     17     -17.9268      1.00000
     18     -17.9067      1.00000
     19     -17.7654      1.00000
     20     -17.7205      1.00000
     21     -17.4409      1.00000
     22     -17.4227      1.00000
     23     -17.3380      1.00000
     24     -16.4704      1.00000
     25     -16.4598      1.00000
     26     -15.9688      1.00000
     27     -15.4105      1.00000
     28     -15.4097      1.00000
     29     -15.0957      1.00000
     30     -15.0924      1.00000
     31     -14.8531      1.00000
     32     -14.8413      1.00000
     33     -14.2966      1.00000
     34     -14.2531      1.00000
     35     -13.4432      1.00000
     36     -13.3995      1.00000
     37     -13.1748      1.00000
     38     -13.1737      1.00000
     39     -12.9841      1.00000
     40     -12.9753      1.00000
     41     -12.6106      1.00000
     42     -12.6088      1.00000
     43     -12.1957      1.00000
     44     -11.5795      1.00000
     45     -11.5384      1.00000
     46     -11.3134      1.00000
     47     -11.2831      1.00000
     48     -11.1409      1.00000
     49     -10.6918      1.00000
     50     -10.6628      1.00000
     51     -10.5460      1.00000
     52     -10.3213      1.00000
     53     -10.3137      1.00000
     54     -10.1747      1.00000
     55     -10.1212      1.00000
     56     -10.1077      1.00000
     57      -9.8104      1.00000
     58      -9.7513      1.00000
     59      -9.7510      1.00000
     60      -9.7012      1.00000
     61      -9.6975      1.00000
     62      -9.6458      1.00000
     63      -9.3518      1.00000
     64      -9.3501      1.00000
     65      -9.3182      1.00000
     66      -9.0269      1.00000
     67      -8.9611      1.00000
     68      -8.9572      1.00000
     69      -8.7745      1.00000
     70      -8.5922      1.00000
     71      -8.5874      1.00000
     72      -8.4229      1.00000
     73      -8.3489      1.00000
     74      -8.3228      1.00000
     75      -8.3017      1.00000
     76      -8.2661      1.00000
     77      -8.2550      1.00000
     78      -8.2397      1.00000
     79      -7.9208      1.00000
     80      -7.7335      1.00000
     81      -7.3779      1.00000
     82      -7.3485      1.00000
     83      -7.3239      1.00000
     84      -7.2160      1.00000
     85      -7.1595      1.00000
     86      -7.0644      1.00000
     87      -6.9599      1.00000
     88      -6.9043      1.00000
     89      -6.6149      1.00000
     90      -6.5550      1.00000
     91      -6.2726      1.00000
     92      -5.9963      1.00000
     93      -5.9590      1.00000
     94      -5.6744      1.00000
     95      -5.6480      1.00000
     96      -5.3874      1.00000
     97      -5.3152      1.00000
     98      -5.2936      1.00000
     99      -5.2114      1.00000
    100      -5.1999      1.00000
    101      -4.5112      1.00000
    102      -4.3380      1.00000
    103      -3.9959      1.00000
    104      -3.8852      1.00000
    105      -3.7925      1.00000
    106      -3.4429      1.00000
    107      -2.0351      0.00000
    108      -1.8646      0.00000
    109      -1.2180      0.00000
    110      -1.1829      0.00000
    111      -1.0365      0.00000
    112      -0.7729      0.00000
    113      -0.6770      0.00000
    114      -0.6605      0.00000
    115      -0.6093      0.00000
    116      -0.1015      0.00000
    117       0.2225      0.00000
    118       0.2399      0.00000
    119       0.7769      0.00000
    120       0.9898      0.00000
    121       1.0748      0.00000
    122       1.2420      0.00000
    123       1.2520      0.00000
    124       1.3470      0.00000
    125       1.5811      0.00000
    126       1.5844      0.00000
    127       1.7171      0.00000
    128       1.7997      0.00000
    129       1.9564      0.00000
    130       1.9799      0.00000
    131       2.0655      0.00000
    132       2.2752      0.00000
    133       2.3423      0.00000
    134       2.4269      0.00000
    135       2.5546      0.00000
    136       2.6347      0.00000
    137       2.7456      0.00000
    138       2.8116      0.00000
    139       2.8520      0.00000
    140       2.8764      0.00000
    141       3.0562      0.00000
    142       3.1094      0.00000
    143       3.1664      0.00000
    144       3.2309      0.00000
    145       3.3776      0.00000
    146       3.4190      0.00000
    147       3.5164      0.00000
    148       3.5657      0.00000
    149       3.5925      0.00000
    150       3.6173      0.00000
    151       3.6598      0.00000
    152       3.7420      0.00000
    153       3.7541      0.00000
    154       3.7738      0.00000
    155       3.7968      0.00000
    156       3.8774      0.00000
    157       4.0239      0.00000
    158       4.0976      0.00000
    159       4.1799      0.00000
    160       4.2235      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0427   -7.3905    4.1984   -1.2759   -0.2386   17.5931    0.1474   -0.5324    0.6339   -0.4650
x    -3.0919   -0.0374   -0.0632    0.0617   -0.0093   -2.9774   -0.0109   -0.0070    0.0049    0.0016
x    -0.0965    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0427    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0942   -0.0088    0.0374    0.0377
y    -0.0459   -3.2474   -0.5379   -0.1639   -1.1800   -0.6055
z   204.0427    1.1249   -0.2810    0.0410    0.0089    0.0617    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0775    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1502
z    -0.2821    0.1877   -0.0392    0.0470   -0.1053    0.0013
 total charge-density along one line
x   212.0000  -10.2208    6.1465   -2.0859   -0.4743   19.5103   -0.9960    0.4744   -0.0449   -0.1262
x    -2.6449   -0.0277   -0.0610    0.0846   -0.0533   -2.2246   -0.0249   -0.0026    0.0052    0.0021
x    -0.0895    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2208    6.1465   -2.0859   -0.4743   19.5103   -0.9960    0.4744   -0.0449   -0.1262
y    -2.6449   -0.0277   -0.0610    0.0846   -0.0533   -2.2246   -0.0249   -0.0026    0.0052    0.0021
y    -0.0895    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4897  189.2838 -170.3551  153.6377 -139.4250  125.4193 -110.1012   93.9494  -78.3319
z    64.1211  -51.4694   40.4069  -31.2059   24.1144  -18.9354   15.0237  -11.7111    8.7070   -6.1136
z     4.1253   -2.7553    1.8191   -1.1091    0.5383   -0.1261   -0.1115    0.2280   -0.3098    0.4007
z    -0.4771    0.4932   -0.4395    0.3542   -0.2857    0.2511   -0.2334    0.2086   -0.1707    0.1315
z    -0.1036    0.0880   -0.0768    0.0636   -0.0489    0.0373   -0.0308    0.0276   -0.0243    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.312   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.030   0.000   0.094   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.312   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.312   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.585  -0.238   0.000   0.058   0.000   0.000
  0.000  -0.312   0.000   0.629   0.000   0.000  -0.191   0.000   0.379   0.000   0.000   0.000  -0.051   0.000   0.069   0.006
 -0.025   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.369  -0.420   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.420   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.094   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.263   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.261   8.029   8.935
  2        0.521   0.027   0.000   0.549
  3        0.521   0.027   0.000   0.549
  4        0.864   1.783   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.785   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.784   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.781   0.000   2.645
 22        0.864   1.771   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.645
 26        0.864   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.645
 33        0.864   1.782   0.000   2.645
 34        0.864   1.783   0.000   2.646
 35        0.864   1.781   0.000   2.645
 36        0.864   1.771   0.000   2.634
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.784   0.000   2.647
 40        0.863   1.785   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.785   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.867  89.422   8.029 142.319
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  115.88: CPU time   58.41
    FORLOC:  VPU time    1.26: CPU time    1.26
    FORNL :  VPU time  445.28: CPU time  223.57
    STRESS:  VPU time 1319.97: CPU time  666.04
    FORCOR:  VPU time    8.67: CPU time    8.68
    FORHAR:  VPU time    2.27: CPU time    2.27
    MIXING:  VPU time    0.18: CPU time    0.17
 d Force = 0.6753017E-05[ 0.691E-05, 0.660E-05]  d Energy = 0.7705174E-05-0.952E-06
 d Force = 0.1786039E+00[ 0.179E+00, 0.179E+00]  d Ewald  = 0.5555954E+00-0.377E+00


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726448 eV

  energy  without entropy=     -471.726448  energy(sigma->0) =     -471.726448
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40833.62  40788.80 -47532.20    -38.81      0.00      0.00
  Hartree  40258.44  40239.44 -39517.16    -16.45      0.00      0.00
  E(xc)     -779.43   -779.71   -807.36     -0.25      0.00      0.00
  Local   -83376.18 -83321.27  84364.18     47.56      0.00      0.00
  n-local   -216.80   -215.67   -203.38      0.71      0.00      0.00
  augment     20.06     22.05     17.82      1.72      0.00      0.00
  Kinetic   3162.35   3175.93   3583.92      3.42      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.28     -0.22     -0.25      0.05      0.00      0.00
  in kB       -0.17     -0.13     -0.15      0.03      0.00      0.00
  external pressure =       -0.15 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.346121381  0.000749543  0.000000000     0.080994259  0.046755569  0.000000000
    -6.172418210 10.692425604  0.000000000    -0.000005678  0.093520871  0.000000000
     0.000000000  0.000000000 19.983104870     0.000000000  0.000000000  0.050042274

  length of vectors
    12.346121404 12.346121328 19.983104870     0.093520871  0.093520871  0.050042274


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.474E-05 -.490E-04 -.951E+03   0.448E-05 -.278E-04 0.960E+03   -.339E-20 0.170E-20 -.870E+01   -.727E-08 0.897E-09 0.274E-02
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.892E+00 -.253E+01   0.972E-04 -.569E-04 -.796E-03
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.892E+00 -.253E+01   -.972E-04 0.569E-04 -.796E-03
   -.206E+01 0.119E+01 0.163E+02   0.206E+01 -.119E+01 -.162E+02   -.156E-02 0.902E-03 -.241E-01   0.256E-03 -.151E-03 -.841E-04
   0.615E+01 0.688E+01 0.194E+02   -.615E+01 -.691E+01 -.193E+02   0.216E-02 0.187E-01 -.274E-01   0.786E-04 -.109E-03 0.710E-05
   0.112E+02 0.509E+01 0.161E+02   -.112E+02 -.510E+01 -.161E+02   0.218E-01 0.647E-02 -.484E-01   0.216E-03 -.158E-03 0.181E-03
   0.470E+01 -.877E+00 0.126E+02   -.472E+01 0.885E+00 -.126E+02   0.165E-01 -.857E-02 -.174E-01   0.179E-03 -.143E-03 0.343E-03
   -.310E+01 -.252E+01 0.126E+02   0.311E+01 0.251E+01 -.126E+02   0.204E-02 0.161E-02 -.127E-01   0.355E-03 -.129E-03 0.683E-04
   0.628E+00 0.395E+01 0.126E+02   -.625E+00 -.395E+01 -.126E+02   -.377E-03 -.257E-02 -.127E-01   0.284E-03 -.249E-03 0.650E-04
   0.239E+01 0.188E+02 0.240E+02   -.238E+01 -.189E+02 -.240E+02   0.148E-02 0.104E+00 -.482E-01   0.269E-03 -.213E-03 0.277E-03
   0.226E+02 0.214E+02 0.423E+02   -.227E+02 -.216E+02 -.422E+02   0.784E-01 0.260E+00 -.603E-01   0.217E-03 -.360E-03 0.655E-03
   0.268E+02 -.342E+01 0.256E+02   -.271E+02 0.353E+01 -.256E+02   0.269E+00 -.110E+00 -.341E-01   0.163E-03 -.379E-04 0.388E-03
   0.913E+01 -.527E+01 0.136E+02   -.917E+01 0.530E+01 -.136E+02   0.440E-01 -.254E-01 -.128E-01   0.190E-03 -.116E-03 -.529E-04
   0.311E+01 -.363E+01 0.126E+02   -.312E+01 0.364E+01 -.126E+02   0.157E-01 -.100E-01 -.174E-01   0.211E-03 -.879E-04 0.335E-03
   -.593E+01 0.136E+02 0.162E+02   0.593E+01 -.137E+02 -.161E+02   -.426E-03 0.708E-01 -.516E-01   0.286E-03 -.136E-03 0.305E-03
   -.119E+02 0.362E+02 0.479E+02   0.119E+02 -.368E+02 -.482E+02   -.278E-01 0.611E+00 0.296E+00   0.378E-03 -.174E-03 0.638E-03
   0.236E+02 -.136E+02 0.940E+02   -.242E+02 0.140E+02 -.960E+02   0.640E+00 -.370E+00 0.205E+01   0.104E-03 -.626E-04 -.336E-04
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.230E+00 -.178E+00 -.341E-01   0.112E-03 -.130E-03 0.383E-03
   0.117E+01 -.122E+02 0.161E+02   -.117E+01 0.122E+02 -.161E+02   0.530E-02 -.221E-01 -.484E-01   0.248E-03 -.109E-03 0.176E-03
   -.416E+01 0.193E+01 0.116E+02   0.416E+01 -.194E+01 -.116E+02   0.167E-02 0.874E-02 -.435E-01   0.276E-03 -.122E-03 0.114E-03
   -.193E+02 0.111E+02 0.217E+02   0.193E+02 -.112E+02 -.217E+02   -.505E-01 0.292E-01 -.435E-01   0.196E-03 -.109E-03 0.823E-04
   -.373E+02 -.784E+01 0.479E+02   0.379E+02 0.812E+01 -.482E+02   -.543E+00 -.281E+00 0.296E+00   0.343E-03 -.241E-03 0.640E-03
   -.719E+01 -.303E+02 0.423E+02   0.738E+01 0.305E+02 -.422E+02   -.186E+00 -.198E+00 -.603E-01   0.424E-03 -.130E-04 0.653E-03
   -.288E+01 -.877E+01 0.194E+02   0.291E+01 0.878E+01 -.193E+02   -.151E-01 -.112E-01 -.274E-01   0.136E-03 -.153E-04 0.643E-05
   0.138E+01 -.796E+00 0.134E+02   -.138E+01 0.796E+00 -.134E+02   0.231E-02 -.133E-02 -.184E-01   0.129E-03 -.726E-04 -.557E-04
   -.375E+01 0.264E+01 0.116E+02   0.376E+01 -.263E+01 -.116E+02   -.673E-02 -.581E-02 -.435E-01   0.246E-03 -.173E-03 0.118E-03
   -.148E+02 -.168E+01 0.162E+02   0.148E+02 0.172E+01 -.161E+02   -.615E-01 -.350E-01 -.516E-01   0.263E-03 -.182E-03 0.312E-03
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.115E+02 -.240E+02   -.891E-01 -.531E-01 -.482E-01   0.321E-03 -.132E-03 0.280E-03
   0.288E+01 0.877E+01 0.194E+02   -.291E+01 -.878E+01 -.193E+02   0.151E-01 0.112E-01 -.274E-01   -.136E-03 0.153E-04 0.643E-05
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.115E+02 -.240E+02   0.891E-01 0.531E-01 -.482E-01   -.321E-03 0.132E-03 0.280E-03
   0.148E+02 0.168E+01 0.162E+02   -.148E+02 -.172E+01 -.161E+02   0.615E-01 0.350E-01 -.516E-01   -.263E-03 0.182E-03 0.312E-03
   0.375E+01 -.264E+01 0.116E+02   -.376E+01 0.263E+01 -.116E+02   0.673E-02 0.581E-02 -.435E-01   -.246E-03 0.173E-03 0.118E-03
   -.138E+01 0.796E+00 0.134E+02   0.138E+01 -.796E+00 -.134E+02   -.231E-02 0.133E-02 -.184E-01   -.129E-03 0.726E-04 -.557E-04
   -.117E+01 0.122E+02 0.161E+02   0.117E+01 -.122E+02 -.161E+02   -.530E-02 0.221E-01 -.484E-01   -.248E-03 0.109E-03 0.176E-03
   0.719E+01 0.303E+02 0.423E+02   -.738E+01 -.305E+02 -.422E+02   0.186E+00 0.198E+00 -.603E-01   -.424E-03 0.130E-04 0.653E-03
   0.373E+02 0.784E+01 0.479E+02   -.379E+02 -.812E+01 -.482E+02   0.543E+00 0.281E+00 0.296E+00   -.343E-03 0.241E-03 0.640E-03
   0.193E+02 -.111E+02 0.217E+02   -.193E+02 0.112E+02 -.217E+02   0.505E-01 -.292E-01 -.435E-01   -.196E-03 0.109E-03 0.823E-04
   0.416E+01 -.193E+01 0.116E+02   -.416E+01 0.194E+01 -.116E+02   -.167E-02 -.874E-02 -.435E-01   -.276E-03 0.122E-03 0.114E-03
   -.311E+01 0.363E+01 0.126E+02   0.312E+01 -.364E+01 -.126E+02   -.157E-01 0.100E-01 -.174E-01   -.211E-03 0.878E-04 0.335E-03
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.230E+00 0.178E+00 -.341E-01   -.112E-03 0.130E-03 0.383E-03
   -.236E+02 0.136E+02 0.940E+02   0.242E+02 -.140E+02 -.960E+02   -.640E+00 0.370E+00 0.205E+01   -.104E-03 0.626E-04 -.336E-04
   0.119E+02 -.362E+02 0.479E+02   -.119E+02 0.368E+02 -.482E+02   0.278E-01 -.611E+00 0.296E+00   -.378E-03 0.174E-03 0.638E-03
   0.593E+01 -.136E+02 0.162E+02   -.593E+01 0.137E+02 -.161E+02   0.426E-03 -.708E-01 -.516E-01   -.286E-03 0.136E-03 0.305E-03
   -.628E+00 -.395E+01 0.126E+02   0.625E+00 0.395E+01 -.126E+02   0.377E-03 0.257E-02 -.127E-01   -.284E-03 0.249E-03 0.650E-04
   -.913E+01 0.527E+01 0.136E+02   0.917E+01 -.530E+01 -.136E+02   -.440E-01 0.254E-01 -.128E-01   -.190E-03 0.116E-03 -.529E-04
   -.268E+02 0.342E+01 0.256E+02   0.271E+02 -.353E+01 -.256E+02   -.269E+00 0.110E+00 -.341E-01   -.163E-03 0.379E-04 0.388E-03
   -.226E+02 -.214E+02 0.423E+02   0.227E+02 0.216E+02 -.422E+02   -.784E-01 -.260E+00 -.603E-01   -.217E-03 0.360E-03 0.655E-03
   -.239E+01 -.188E+02 0.240E+02   0.238E+01 0.189E+02 -.240E+02   -.148E-02 -.104E+00 -.482E-01   -.269E-03 0.213E-03 0.277E-03
   0.206E+01 -.119E+01 0.163E+02   -.206E+01 0.119E+01 -.162E+02   0.156E-02 -.902E-03 -.241E-01   -.256E-03 0.151E-03 -.841E-04
   0.310E+01 0.252E+01 0.126E+02   -.311E+01 -.251E+01 -.126E+02   -.204E-02 -.161E-02 -.127E-01   -.355E-03 0.129E-03 0.683E-04
   -.470E+01 0.877E+00 0.126E+02   0.472E+01 -.885E+00 -.126E+02   -.165E-01 0.857E-02 -.174E-01   -.179E-03 0.143E-03 0.343E-03
   -.112E+02 -.509E+01 0.161E+02   0.112E+02 0.510E+01 -.161E+02   -.218E-01 -.647E-02 -.484E-01   -.216E-03 0.158E-03 0.181E-03
   -.615E+01 -.688E+01 0.194E+02   0.615E+01 0.691E+01 -.193E+02   -.216E-02 -.187E-01 -.274E-01   -.786E-04 0.109E-03 0.710E-05
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.293E-03 0.101E+02   -.702E-13 0.147E-12 -.686E-12   0.633E-16 -.114E-15 -.100E+02   -.321E-08 -.502E-08 0.127E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85228      6.05937     12.26345         0.000000      0.000000      0.008187
      1.07510      6.50808     13.52255        -0.000983      0.000567      0.013540
      2.62947      5.61066     13.52255         0.000983     -0.000567      0.013540
      0.00010     -0.00006      9.90919         0.002019     -0.001166      0.000137
     -1.23485      2.13710      9.90784         0.003353     -0.006554     -0.000242
     -2.47018      4.27673      9.92780         0.003430     -0.001621     -0.000842
     -3.70395      6.41557      9.93548         0.002768     -0.001271     -0.000749
     -4.93779      8.55395      9.92608         0.003907     -0.001492     -0.000335
      2.46929      0.00002      9.92608         0.003246     -0.002637     -0.000335
      1.23392      2.13680      9.91733         0.006875      0.002725     -0.000921
     -0.00264      4.27115      9.92978        -0.000436     -0.003514     -0.001979
     -1.23842      6.41620      9.95193         0.002989     -0.002624     -0.001268
     -2.46910      8.55431      9.93743         0.002561     -0.001479     -0.000071
      4.93810      0.00067      9.93548         0.002485     -0.001762     -0.000749
      3.70437      2.13690      9.93877         0.001938     -0.001230     -0.001145
      2.46998      4.26883      9.96632         0.005492     -0.002753     -0.001046
      1.22909      6.41916      9.97271         0.007810     -0.004509      0.000717
     -0.00210      8.55758      9.95193         0.003767     -0.001276     -0.001268
      7.40728      0.00162      9.92780         0.003119     -0.002160     -0.000842
      6.17288      2.13902      9.93412         0.003420     -0.001979     -0.000404
      4.93931      4.27707      9.94688         0.002031     -0.001173     -0.000375
      3.71178      6.41969      9.96632         0.005130     -0.003380     -0.001046
      2.47346      8.55988      9.92978         0.002825      0.002135     -0.001979
      9.87791      0.00161      9.90784         0.007353      0.000374     -0.000242
      8.64226      2.13917      9.91904         0.002775     -0.001602     -0.000177
      7.40770      4.27780      9.93412         0.003424     -0.001972     -0.000404
      6.17528      6.41664      9.93877         0.002034     -0.001063     -0.001145
      4.94014      8.55617      9.91733         0.001078     -0.007317     -0.000921
     -0.00093      1.42469      9.90784        -0.007353     -0.000374     -0.000242
     -1.23558      3.56257      9.91733        -0.001078      0.007317     -0.000921
     -2.47072      5.70209      9.93877        -0.002034      0.001063     -0.001145
     -3.70314      7.84093      9.93412        -0.003424      0.001972     -0.000404
     -4.93769      9.97956      9.91904        -0.002775      0.001602     -0.000177
      2.46971      1.42469      9.92780        -0.003119      0.002160     -0.000842
      1.23110      3.55885      9.92978        -0.002825     -0.002135     -0.001979
     -0.00722      5.69904      9.96632        -0.005130      0.003380     -0.001046
     -1.23475      7.84166      9.94688        -0.002031      0.001173     -0.000375
     -2.46831      9.97972      9.93412        -0.003420      0.001979     -0.000404
      4.93888      1.42563      9.93548        -0.002485      0.001762     -0.000749
      3.70667      3.56116      9.95193        -0.003767      0.001276     -0.001268
      2.47547      5.69957      9.97271        -0.007810      0.004509      0.000717
      1.23459      7.84990      9.96632        -0.005492      0.002753     -0.001046
      0.00019      9.98183      9.93877        -0.001938      0.001230     -0.001145
      7.40770      1.42629      9.92608        -0.003246      0.002637     -0.000335
      6.17366      3.56442      9.93743        -0.002561      0.001479     -0.000071
      4.94299      5.70253      9.95193        -0.002989      0.002624     -0.001268
      3.70720      7.84758      9.92978         0.000436      0.003514     -0.001979
      2.47064      9.98193      9.91733        -0.006875     -0.002725     -0.000921
      9.87688      1.42636      9.90919        -0.002019      0.001166      0.000137
      8.64235      3.56478      9.92608        -0.003907      0.001492     -0.000335
      7.40851      5.70316      9.93548        -0.002768      0.001271     -0.000749
      6.17474      7.84200      9.92780        -0.003430      0.001621     -0.000842
      4.93942      9.98163      9.90784        -0.003353      0.006554     -0.000242
 -----------------------------------------------------------------------------------
    total drift:                               -0.001808      0.000293      0.021819


--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.000008  1 .order   -0.000007   -0.000007   -0.000007
  (g-gl).g = 0.101E-03      g.g   = 0.954E-04  gl.gl    = 0.519E-04
 g(Force)  = 0.919E-04   g(Stress)= 0.345E-05 ortho     = 0.875E-05
 gamma     =   1.94873
 trial     =   0.05966
 opt step  =   0.23864  (harmonic =   0.23864) maximal distance =0.00060631
 next E    =  -471.726468   (d E  =  -0.00003)


--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.94: CPU time    1.94
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.36
    ORTHCH:  VPU time  182.46: CPU time   91.67
     LOOP+:  VPU time 5033.32: CPU time 2587.90


----------------------------------------- Iteration   47(   1)  ---------------------------------------


    POTLOK:  VPU time    9.15: CPU time    9.00
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1659.68: CPU time  858.20
 BZINTS: Fermi energy: -3.206490;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.11: CPU time   57.35
    MIXING:  VPU time    0.15: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1783.49: CPU time  925.07

 eigenvalue-minimisations  :  5344
 total energy-change (2. order) :-0.4717265E+03  (-0.1241341E-03)
 number of electron  212.0000059 magnetization    0.0000000
 augmentation part     7.9571727 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.66323E-03    rms(broyden)= 0.66297E-03
  rms(prec ) = 0.71462E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34088.57741420
  -1/2 Hartree   DENC   =    -40979.30977214
  -V(xc)+E(xc)   XCENC  =       726.56652701
  PAW double counting   =      4093.46171494    -4131.80595203
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.65625400
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72646843 eV

  energy without entropy =     -471.72646843  energy(sigma->0) =     -471.72646843


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   47(   2)  ---------------------------------------


    POTLOK:  VPU time    9.05: CPU time    9.05
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1334.71: CPU time  687.68
 BZINTS: Fermi energy: -3.206642;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1344.18: CPU time  697.10

 eigenvalue-minimisations  :  3808
 total energy-change (2. order) :-0.6056671E-06  (-0.1895359E-05)
 number of electron  212.0000059 magnetization    0.0000000
 augmentation part     7.9571727 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34088.57741420
  -1/2 Hartree   DENC   =    -40979.25646550
  -V(xc)+E(xc)   XCENC  =       726.56527014
  PAW double counting   =      4093.41609718    -4131.75985681
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.70878185
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72646904 eV

  energy without entropy =     -471.72646904  energy(sigma->0) =     -471.72646904


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2173       2 -39.5371       3 -39.5371       4 -58.3142       5 -58.3182
       6 -58.3206       7 -58.3152       8 -58.3155       9 -58.3155      10 -58.3220
      11 -58.3881      12 -58.3520      13 -58.3235      14 -58.3152      15 -58.3250
      16 -58.5429      17 -58.7297      18 -58.3520      19 -58.3206      20 -58.3203
      21 -58.3581      22 -58.5429      23 -58.3882      24 -58.3182      25 -58.3234
      26 -58.3203      27 -58.3250      28 -58.3220      29 -58.3180      30 -58.3219
      31 -58.3249      32 -58.3202      33 -58.3233      34 -58.3205      35 -58.3880
      36 -58.5428      37 -58.3581      38 -58.3202      39 -58.3150      40 -58.3519
      41 -58.7296      42 -58.5428      43 -58.3249      44 -58.3154      45 -58.3234
      46 -58.3519      47 -58.3881      48 -58.3219      49 -58.3141      50 -58.3154
      51 -58.3151      52 -58.3206      53 -58.3181
 
 
 
 E-fermi :  -3.2066     XC(G=0):  -2.3383     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4253      1.00000
      2     -21.6021      1.00000
      3     -21.4805      1.00000
      4     -21.4715      1.00000
      5     -21.4399      1.00000
      6     -21.4391      1.00000
      7     -21.4289      1.00000
      8     -19.7064      1.00000
      9     -19.6518      1.00000
     10     -19.6287      1.00000
     11     -19.6174      1.00000
     12     -19.6121      1.00000
     13     -19.6111      1.00000
     14     -18.7888      1.00000
     15     -18.7538      1.00000
     16     -18.7341      1.00000
     17     -18.7248      1.00000
     18     -18.7173      1.00000
     19     -18.7120      1.00000
     20     -16.6341      1.00000
     21     -16.6088      1.00000
     22     -16.5842      1.00000
     23     -16.5805      1.00000
     24     -16.5540      1.00000
     25     -16.5520      1.00000
     26     -15.6129      1.00000
     27     -15.6015      1.00000
     28     -15.5983      1.00000
     29     -15.5643      1.00000
     30     -15.5624      1.00000
     31     -15.5601      1.00000
     32     -14.2588      1.00000
     33     -14.2500      1.00000
     34     -14.2400      1.00000
     35     -14.2351      1.00000
     36     -14.2217      1.00000
     37     -14.2186      1.00000
     38     -11.9047      1.00000
     39     -11.8785      1.00000
     40     -11.8679      1.00000
     41     -11.8650      1.00000
     42     -11.8448      1.00000
     43     -11.8440      1.00000
     44     -11.7701      1.00000
     45     -11.7679      1.00000
     46     -11.7347      1.00000
     47     -11.7282      1.00000
     48     -11.7245      1.00000
     49     -11.7212      1.00000
     50     -10.6746      1.00000
     51     -10.3874      1.00000
     52     -10.3833      1.00000
     53     -10.3763      1.00000
     54     -10.3671      1.00000
     55     -10.3552      1.00000
     56     -10.3529      1.00000
     57      -9.9025      1.00000
     58      -9.4494      1.00000
     59      -9.4044      1.00000
     60      -9.3614      1.00000
     61      -9.3609      1.00000
     62      -9.3530      1.00000
     63      -9.1412      1.00000
     64      -9.1221      1.00000
     65      -9.1204      1.00000
     66      -9.0848      1.00000
     67      -9.0709      1.00000
     68      -9.0701      1.00000
     69      -9.0700      1.00000
     70      -9.0641      1.00000
     71      -9.0635      1.00000
     72      -9.0384      1.00000
     73      -9.0285      1.00000
     74      -9.0253      1.00000
     75      -8.1291      1.00000
     76      -7.7452      1.00000
     77      -7.4690      1.00000
     78      -7.4655      1.00000
     79      -7.4538      1.00000
     80      -7.4338      1.00000
     81      -7.4238      1.00000
     82      -7.4062      1.00000
     83      -7.3119      1.00000
     84      -7.2702      1.00000
     85      -7.2564      1.00000
     86      -7.2481      1.00000
     87      -7.1500      1.00000
     88      -7.0493      1.00000
     89      -6.4453      1.00000
     90      -6.4150      1.00000
     91      -6.3996      1.00000
     92      -6.3631      1.00000
     93      -6.3523      1.00000
     94      -6.3404      1.00000
     95      -5.9598      1.00000
     96      -5.9568      1.00000
     97      -4.8054      1.00000
     98      -4.5436      1.00000
     99      -4.4817      1.00000
    100      -4.4734      1.00000
    101      -4.3824      1.00000
    102      -4.3812      1.00000
    103      -4.2673      1.00000
    104      -4.1867      1.00000
    105      -3.7390      1.00000
    106      -3.4769      1.00000
    107      -1.8623      0.00000
    108      -1.6700      0.00000
    109      -1.6240      0.00000
    110      -1.5922      0.00000
    111      -1.5757      0.00000
    112      -1.5754      0.00000
    113      -0.4291      0.00000
    114       0.1460      0.00000
    115       0.1913      0.00000
    116       0.2548      0.00000
    117       0.2675      0.00000
    118       0.2705      0.00000
    119       0.4763      0.00000
    120       0.5547      0.00000
    121       1.2561      0.00000
    122       1.2915      0.00000
    123       1.5477      0.00000
    124       1.7775      0.00000
    125       1.7796      0.00000
    126       1.7812      0.00000
    127       1.7830      0.00000
    128       1.8315      0.00000
    129       1.9572      0.00000
    130       1.9710      0.00000
    131       1.9738      0.00000
    132       1.9877      0.00000
    133       1.9955      0.00000
    134       2.0848      0.00000
    135       2.2621      0.00000
    136       2.3441      0.00000
    137       2.6288      0.00000
    138       2.6301      0.00000
    139       2.6595      0.00000
    140       2.7273      0.00000
    141       2.9439      0.00000
    142       3.0343      0.00000
    143       3.0452      0.00000
    144       3.0772      0.00000
    145       3.0790      0.00000
    146       3.0833      0.00000
    147       3.1009      0.00000
    148       3.2863      0.00000
    149       3.4537      0.00000
    150       3.5201      0.00000
    151       3.8268      0.00000
    152       3.9643      0.00000
    153       3.9781      0.00000
    154       3.9810      0.00000
    155       3.9880      0.00000
    156       4.0041      0.00000
    157       4.1911      0.00000
    158       4.2656      0.00000
    159       4.2765      0.00000
    160       4.2872      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3886      1.00000
      2     -21.8296      1.00000
      3     -21.6373      1.00000
      4     -21.6095      1.00000
      5     -21.2737      1.00000
      6     -21.2344      1.00000
      7     -21.0560      1.00000
      8     -20.1668      1.00000
      9     -20.1287      1.00000
     10     -19.6077      1.00000
     11     -19.5968      1.00000
     12     -19.4164      1.00000
     13     -19.0887      1.00000
     14     -19.0593      1.00000
     15     -19.0482      1.00000
     16     -19.0406      1.00000
     17     -18.3599      1.00000
     18     -18.3516      1.00000
     19     -18.0183      1.00000
     20     -17.0685      1.00000
     21     -17.0298      1.00000
     22     -16.9433      1.00000
     23     -16.9396      1.00000
     24     -16.4673      1.00000
     25     -16.4629      1.00000
     26     -15.6126      1.00000
     27     -15.6069      1.00000
     28     -15.2515      1.00000
     29     -15.2430      1.00000
     30     -15.1843      1.00000
     31     -15.0975      1.00000
     32     -15.0707      1.00000
     33     -14.6977      1.00000
     34     -14.6958      1.00000
     35     -13.7258      1.00000
     36     -13.7232      1.00000
     37     -13.2355      1.00000
     38     -12.6140      1.00000
     39     -12.5840      1.00000
     40     -12.4536      1.00000
     41     -12.4498      1.00000
     42     -12.1086      1.00000
     43     -12.1040      1.00000
     44     -11.7162      1.00000
     45     -11.6853      1.00000
     46     -11.2345      1.00000
     47     -11.2262      1.00000
     48     -11.0172      1.00000
     49     -11.0092      1.00000
     50     -10.9254      1.00000
     51     -10.9044      1.00000
     52     -10.6296      1.00000
     53     -10.1550      1.00000
     54     -10.1503      1.00000
     55     -10.0918      1.00000
     56      -9.9974      1.00000
     57      -9.7014      1.00000
     58      -9.6950      1.00000
     59      -9.6548      1.00000
     60      -9.5913      1.00000
     61      -9.5758      1.00000
     62      -9.5582      1.00000
     63      -9.3069      1.00000
     64      -9.3027      1.00000
     65      -9.2731      1.00000
     66      -9.2356      1.00000
     67      -9.1357      1.00000
     68      -9.1153      1.00000
     69      -9.1104      1.00000
     70      -8.9387      1.00000
     71      -8.8713      1.00000
     72      -8.6039      1.00000
     73      -8.5903      1.00000
     74      -8.2356      1.00000
     75      -8.1008      1.00000
     76      -7.9124      1.00000
     77      -7.8630      1.00000
     78      -7.7717      1.00000
     79      -7.7565      1.00000
     80      -7.6915      1.00000
     81      -7.5601      1.00000
     82      -7.3391      1.00000
     83      -7.3227      1.00000
     84      -7.2037      1.00000
     85      -7.1230      1.00000
     86      -7.0315      1.00000
     87      -7.0115      1.00000
     88      -6.7037      1.00000
     89      -6.6774      1.00000
     90      -6.6404      1.00000
     91      -6.5975      1.00000
     92      -6.1167      1.00000
     93      -6.0614      1.00000
     94      -6.0304      1.00000
     95      -6.0113      1.00000
     96      -5.7825      1.00000
     97      -4.9736      1.00000
     98      -4.8319      1.00000
     99      -4.7466      1.00000
    100      -4.6788      1.00000
    101      -4.4682      1.00000
    102      -4.2029      1.00000
    103      -4.1720      1.00000
    104      -4.1276      1.00000
    105      -3.7294      1.00000
    106      -3.4871      1.00000
    107      -1.8706      0.00000
    108      -1.8084      0.00000
    109      -1.5249      0.00000
    110      -1.3771      0.00000
    111      -1.3220      0.00000
    112      -1.2887      0.00000
    113      -0.7206      0.00000
    114      -0.3765      0.00000
    115      -0.2497      0.00000
    116       0.0364      0.00000
    117       0.5609      0.00000
    118       0.6996      0.00000
    119       0.7460      0.00000
    120       1.0484      0.00000
    121       1.0987      0.00000
    122       1.1527      0.00000
    123       1.2279      0.00000
    124       1.3838      0.00000
    125       1.5292      0.00000
    126       1.5955      0.00000
    127       1.7192      0.00000
    128       1.8053      0.00000
    129       1.8567      0.00000
    130       1.8821      0.00000
    131       2.0990      0.00000
    132       2.1973      0.00000
    133       2.2459      0.00000
    134       2.3173      0.00000
    135       2.5230      0.00000
    136       2.6036      0.00000
    137       2.6266      0.00000
    138       2.7853      0.00000
    139       2.7991      0.00000
    140       2.8259      0.00000
    141       2.8418      0.00000
    142       2.9063      0.00000
    143       2.9363      0.00000
    144       3.0980      0.00000
    145       3.1655      0.00000
    146       3.3251      0.00000
    147       3.3661      0.00000
    148       3.4131      0.00000
    149       3.4774      0.00000
    150       3.6181      0.00000
    151       3.6468      0.00000
    152       3.6753      0.00000
    153       3.7213      0.00000
    154       3.9248      0.00000
    155       3.9659      0.00000
    156       4.0244      0.00000
    157       4.0704      0.00000
    158       4.2521      0.00000
    159       4.2618      0.00000
    160       4.2828      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2826      1.00000
      2     -22.0771      1.00000
      3     -21.7157      1.00000
      4     -21.6839      1.00000
      5     -20.9785      1.00000
      6     -20.9380      1.00000
      7     -20.6109      1.00000
      8     -20.5744      1.00000
      9     -20.5681      1.00000
     10     -20.0318      1.00000
     11     -19.5025      1.00000
     12     -19.4909      1.00000
     13     -19.3060      1.00000
     14     -19.3009      1.00000
     15     -18.4469      1.00000
     16     -18.4103      1.00000
     17     -17.9216      1.00000
     18     -17.9123      1.00000
     19     -17.7609      1.00000
     20     -17.7252      1.00000
     21     -17.4352      1.00000
     22     -17.4280      1.00000
     23     -17.3402      1.00000
     24     -16.4623      1.00000
     25     -16.4612      1.00000
     26     -15.9665      1.00000
     27     -15.4130      1.00000
     28     -15.4084      1.00000
     29     -15.0954      1.00000
     30     -15.0927      1.00000
     31     -14.8542      1.00000
     32     -14.8468      1.00000
     33     -14.2900      1.00000
     34     -14.2572      1.00000
     35     -13.4364      1.00000
     36     -13.4040      1.00000
     37     -13.1768      1.00000
     38     -13.1734      1.00000
     39     -12.9810      1.00000
     40     -12.9761      1.00000
     41     -12.6125      1.00000
     42     -12.6090      1.00000
     43     -12.1976      1.00000
     44     -11.5754      1.00000
     45     -11.5417      1.00000
     46     -11.3095      1.00000
     47     -11.2869      1.00000
     48     -11.1419      1.00000
     49     -10.6756      1.00000
     50     -10.6605      1.00000
     51     -10.5517      1.00000
     52     -10.3233      1.00000
     53     -10.3169      1.00000
     54     -10.1682      1.00000
     55     -10.1154      1.00000
     56     -10.1119      1.00000
     57      -9.7971      1.00000
     58      -9.7650      1.00000
     59      -9.7511      1.00000
     60      -9.6991      1.00000
     61      -9.6971      1.00000
     62      -9.6610      1.00000
     63      -9.3546      1.00000
     64      -9.3506      1.00000
     65      -9.3145      1.00000
     66      -9.0400      1.00000
     67      -8.9624      1.00000
     68      -8.9482      1.00000
     69      -8.7986      1.00000
     70      -8.5939      1.00000
     71      -8.5567      1.00000
     72      -8.3975      1.00000
     73      -8.3640      1.00000
     74      -8.3238      1.00000
     75      -8.3065      1.00000
     76      -8.2585      1.00000
     77      -8.2565      1.00000
     78      -8.2355      1.00000
     79      -7.9041      1.00000
     80      -7.6506      1.00000
     81      -7.5489      1.00000
     82      -7.3868      1.00000
     83      -7.3497      1.00000
     84      -7.2314      1.00000
     85      -7.0958      1.00000
     86      -7.0383      1.00000
     87      -6.9332      1.00000
     88      -6.8481      1.00000
     89      -6.6118      1.00000
     90      -6.5594      1.00000
     91      -6.2689      1.00000
     92      -6.0430      1.00000
     93      -5.9509      1.00000
     94      -5.6619      1.00000
     95      -5.6226      1.00000
     96      -5.4624      1.00000
     97      -5.3191      1.00000
     98      -5.2783      1.00000
     99      -5.2131      1.00000
    100      -5.1939      1.00000
    101      -4.5078      1.00000
    102      -4.2070      1.00000
    103      -4.0588      1.00000
    104      -3.9892      1.00000
    105      -3.6942      1.00000
    106      -3.4973      1.00000
    107      -1.9462      0.00000
    108      -1.8962      0.00000
    109      -1.3395      0.00000
    110      -1.0854      0.00000
    111      -1.0578      0.00000
    112      -0.8009      0.00000
    113      -0.6772      0.00000
    114      -0.6475      0.00000
    115      -0.6080      0.00000
    116      -0.1085      0.00000
    117       0.2147      0.00000
    118       0.3284      0.00000
    119       0.6999      0.00000
    120       0.8923      0.00000
    121       1.1283      0.00000
    122       1.1989      0.00000
    123       1.3318      0.00000
    124       1.4276      0.00000
    125       1.5563      0.00000
    126       1.5770      0.00000
    127       1.6911      0.00000
    128       1.8109      0.00000
    129       1.8891      0.00000
    130       2.0623      0.00000
    131       2.1136      0.00000
    132       2.3135      0.00000
    133       2.3543      0.00000
    134       2.4079      0.00000
    135       2.5597      0.00000
    136       2.6361      0.00000
    137       2.7365      0.00000
    138       2.7402      0.00000
    139       2.8114      0.00000
    140       2.8908      0.00000
    141       3.0562      0.00000
    142       3.0673      0.00000
    143       3.1760      0.00000
    144       3.2727      0.00000
    145       3.3673      0.00000
    146       3.4227      0.00000
    147       3.4437      0.00000
    148       3.5706      0.00000
    149       3.5893      0.00000
    150       3.6134      0.00000
    151       3.6627      0.00000
    152       3.6819      0.00000
    153       3.7795      0.00000
    154       3.7922      0.00000
    155       3.8097      0.00000
    156       3.8948      0.00000
    157       3.9328      0.00000
    158       3.9978      0.00000
    159       4.2238      0.00000
    160       4.2300      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3166      1.00000
      2     -21.9619      1.00000
      3     -21.8928      1.00000
      4     -21.3801      1.00000
      5     -21.3508      1.00000
      6     -20.8389      1.00000
      7     -20.7736      1.00000
      8     -20.6233      1.00000
      9     -20.0767      1.00000
     10     -20.0712      1.00000
     11     -19.7161      1.00000
     12     -19.6915      1.00000
     13     -18.9956      1.00000
     14     -18.9899      1.00000
     15     -18.6400      1.00000
     16     -18.6239      1.00000
     17     -18.4615      1.00000
     18     -17.6746      1.00000
     19     -17.6242      1.00000
     20     -17.6215      1.00000
     21     -17.5796      1.00000
     22     -17.1261      1.00000
     23     -17.1044      1.00000
     24     -16.9619      1.00000
     25     -16.0018      1.00000
     26     -15.9278      1.00000
     27     -15.5852      1.00000
     28     -15.5850      1.00000
     29     -15.2855      1.00000
     30     -14.8639      1.00000
     31     -14.8365      1.00000
     32     -14.5786      1.00000
     33     -14.5367      1.00000
     34     -14.1676      1.00000
     35     -14.1541      1.00000
     36     -13.1484      1.00000
     37     -13.1001      1.00000
     38     -13.0293      1.00000
     39     -13.0192      1.00000
     40     -12.7087      1.00000
     41     -12.7048      1.00000
     42     -12.3406      1.00000
     43     -12.3094      1.00000
     44     -11.6350      1.00000
     45     -11.6214      1.00000
     46     -11.5705      1.00000
     47     -10.9484      1.00000
     48     -10.9155      1.00000
     49     -10.6319      1.00000
     50     -10.6248      1.00000
     51     -10.5466      1.00000
     52     -10.4989      1.00000
     53     -10.4986      1.00000
     54     -10.4404      1.00000
     55     -10.3604      1.00000
     56     -10.0983      1.00000
     57      -9.9025      1.00000
     58      -9.6088      1.00000
     59      -9.5563      1.00000
     60      -9.4516      1.00000
     61      -9.4113      1.00000
     62      -9.4045      1.00000
     63      -9.3772      1.00000
     64      -9.3771      1.00000
     65      -9.2864      1.00000
     66      -9.1675      1.00000
     67      -9.1423      1.00000
     68      -9.1133      1.00000
     69      -8.8639      1.00000
     70      -8.8565      1.00000
     71      -8.8142      1.00000
     72      -8.5961      1.00000
     73      -8.4790      1.00000
     74      -8.1978      1.00000
     75      -8.1625      1.00000
     76      -8.0082      1.00000
     77      -7.9630      1.00000
     78      -7.8514      1.00000
     79      -7.8408      1.00000
     80      -7.7041      1.00000
     81      -7.6971      1.00000
     82      -7.6217      1.00000
     83      -7.4482      1.00000
     84      -7.3001      1.00000
     85      -7.2529      1.00000
     86      -6.9060      1.00000
     87      -6.8923      1.00000
     88      -6.5880      1.00000
     89      -6.5508      1.00000
     90      -6.4077      1.00000
     91      -6.2531      1.00000
     92      -6.2328      1.00000
     93      -6.2038      1.00000
     94      -6.0222      1.00000
     95      -5.5492      1.00000
     96      -5.4881      1.00000
     97      -5.3495      1.00000
     98      -5.2189      1.00000
     99      -4.9797      1.00000
    100      -4.7320      1.00000
    101      -4.6776      1.00000
    102      -4.3871      1.00000
    103      -4.2024      1.00000
    104      -3.8706      1.00000
    105      -3.5469      1.00000
    106      -3.5092      1.00000
    107      -2.2557      0.00000
    108      -1.4567      0.00000
    109      -1.3706      0.00000
    110      -1.2419      0.00000
    111      -1.0986      0.00000
    112      -0.9458      0.00000
    113      -0.8646      0.00000
    114      -0.8042      0.00000
    115      -0.1397      0.00000
    116       0.1114      0.00000
    117       0.2406      0.00000
    118       0.3766      0.00000
    119       0.6578      0.00000
    120       0.8358      0.00000
    121       0.9361      0.00000
    122       1.0682      0.00000
    123       1.2399      0.00000
    124       1.4515      0.00000
    125       1.5650      0.00000
    126       1.7657      0.00000
    127       1.7930      0.00000
    128       1.8699      0.00000
    129       1.9838      0.00000
    130       2.0449      0.00000
    131       2.1883      0.00000
    132       2.1891      0.00000
    133       2.4215      0.00000
    134       2.4394      0.00000
    135       2.5141      0.00000
    136       2.6040      0.00000
    137       2.6351      0.00000
    138       2.7032      0.00000
    139       2.7897      0.00000
    140       2.8473      0.00000
    141       2.9624      0.00000
    142       3.0944      0.00000
    143       3.1932      0.00000
    144       3.2116      0.00000
    145       3.2458      0.00000
    146       3.3325      0.00000
    147       3.3449      0.00000
    148       3.4745      0.00000
    149       3.5131      0.00000
    150       3.6985      0.00000
    151       3.7197      0.00000
    152       3.7293      0.00000
    153       3.8644      0.00000
    154       3.9113      0.00000
    155       3.9585      0.00000
    156       3.9817      0.00000
    157       4.0037      0.00000
    158       4.0354      0.00000
    159       4.0585      0.00000
    160       4.0740      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2095      1.00000
      2     -22.1167      1.00000
      3     -21.9560      1.00000
      4     -21.4036      1.00000
      5     -21.0489      1.00000
      6     -21.0131      1.00000
      7     -20.4998      1.00000
      8     -20.4605      1.00000
      9     -20.2942      1.00000
     10     -20.2749      1.00000
     11     -19.9568      1.00000
     12     -19.8911      1.00000
     13     -18.8818      1.00000
     14     -18.8132      1.00000
     15     -18.3521      1.00000
     16     -18.3061      1.00000
     17     -18.1525      1.00000
     18     -18.1353      1.00000
     19     -17.8261      1.00000
     20     -17.7887      1.00000
     21     -17.2513      1.00000
     22     -17.2415      1.00000
     23     -17.1642      1.00000
     24     -17.1324      1.00000
     25     -16.1096      1.00000
     26     -15.8844      1.00000
     27     -15.8696      1.00000
     28     -15.8340      1.00000
     29     -15.2360      1.00000
     30     -14.5544      1.00000
     31     -14.5267      1.00000
     32     -14.2797      1.00000
     33     -13.9637      1.00000
     34     -13.9561      1.00000
     35     -13.8202      1.00000
     36     -13.8046      1.00000
     37     -13.6141      1.00000
     38     -13.5704      1.00000
     39     -13.3691      1.00000
     40     -12.6340      1.00000
     41     -12.1804      1.00000
     42     -12.1326      1.00000
     43     -12.0711      1.00000
     44     -12.0190      1.00000
     45     -11.6697      1.00000
     46     -11.6562      1.00000
     47     -11.1386      1.00000
     48     -11.1182      1.00000
     49     -10.7939      1.00000
     50     -10.7304      1.00000
     51     -10.5273      1.00000
     52     -10.2089      1.00000
     53     -10.2049      1.00000
     54     -10.1637      1.00000
     55     -10.0177      1.00000
     56     -10.0035      1.00000
     57      -9.9901      1.00000
     58      -9.8009      1.00000
     59      -9.7974      1.00000
     60      -9.7624      1.00000
     61      -9.7576      1.00000
     62      -9.4539      1.00000
     63      -9.4164      1.00000
     64      -9.0796      1.00000
     65      -9.0726      1.00000
     66      -9.0404      1.00000
     67      -8.9548      1.00000
     68      -8.8764      1.00000
     69      -8.7120      1.00000
     70      -8.6997      1.00000
     71      -8.5652      1.00000
     72      -8.5424      1.00000
     73      -8.4984      1.00000
     74      -8.4630      1.00000
     75      -8.4521      1.00000
     76      -8.2595      1.00000
     77      -8.1246      1.00000
     78      -8.0425      1.00000
     79      -7.9161      1.00000
     80      -7.8624      1.00000
     81      -7.6142      1.00000
     82      -7.5480      1.00000
     83      -7.4897      1.00000
     84      -7.2681      1.00000
     85      -6.9960      1.00000
     86      -6.9236      1.00000
     87      -6.8827      1.00000
     88      -6.5319      1.00000
     89      -6.4865      1.00000
     90      -6.4608      1.00000
     91      -6.4098      1.00000
     92      -5.9830      1.00000
     93      -5.8968      1.00000
     94      -5.7838      1.00000
     95      -5.7594      1.00000
     96      -5.4312      1.00000
     97      -5.3288      1.00000
     98      -5.2295      1.00000
     99      -5.2169      1.00000
    100      -5.1886      1.00000
    101      -4.6918      1.00000
    102      -4.4211      1.00000
    103      -4.2089      1.00000
    104      -3.8337      1.00000
    105      -3.5283      1.00000
    106      -3.2745      1.00000
    107      -2.5309      0.00000
    108      -1.4584      0.00000
    109      -1.2665      0.00000
    110      -1.2031      0.00000
    111      -1.1725      0.00000
    112      -0.7201      0.00000
    113      -0.5040      0.00000
    114      -0.4126      0.00000
    115      -0.3396      0.00000
    116      -0.1466      0.00000
    117      -0.0037      0.00000
    118       0.1933      0.00000
    119       0.5614      0.00000
    120       0.6121      0.00000
    121       0.8013      0.00000
    122       0.9127      0.00000
    123       1.1387      0.00000
    124       1.5028      0.00000
    125       1.6417      0.00000
    126       1.8692      0.00000
    127       1.9362      0.00000
    128       2.1141      0.00000
    129       2.1265      0.00000
    130       2.1311      0.00000
    131       2.1772      0.00000
    132       2.2794      0.00000
    133       2.3284      0.00000
    134       2.4604      0.00000
    135       2.5793      0.00000
    136       2.6647      0.00000
    137       2.8603      0.00000
    138       2.8718      0.00000
    139       2.9006      0.00000
    140       3.0332      0.00000
    141       3.0384      0.00000
    142       3.1488      0.00000
    143       3.1659      0.00000
    144       3.2404      0.00000
    145       3.2813      0.00000
    146       3.2892      0.00000
    147       3.3054      0.00000
    148       3.3517      0.00000
    149       3.4322      0.00000
    150       3.4520      0.00000
    151       3.5612      0.00000
    152       3.6269      0.00000
    153       3.6905      0.00000
    154       3.7209      0.00000
    155       3.7834      0.00000
    156       3.9005      0.00000
    157       3.9519      0.00000
    158       4.0154      0.00000
    159       4.1479      0.00000
    160       4.2371      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3164      1.00000
      2     -21.9634      1.00000
      3     -21.8913      1.00000
      4     -21.3837      1.00000
      5     -21.3474      1.00000
      6     -20.8386      1.00000
      7     -20.7723      1.00000
      8     -20.6242      1.00000
      9     -20.0887      1.00000
     10     -20.0601      1.00000
     11     -19.7176      1.00000
     12     -19.6889      1.00000
     13     -19.0090      1.00000
     14     -18.9781      1.00000
     15     -18.6491      1.00000
     16     -18.6164      1.00000
     17     -18.4600      1.00000
     18     -17.6598      1.00000
     19     -17.6463      1.00000
     20     -17.6100      1.00000
     21     -17.5774      1.00000
     22     -17.1366      1.00000
     23     -17.0968      1.00000
     24     -16.9652      1.00000
     25     -16.0075      1.00000
     26     -15.9226      1.00000
     27     -15.5980      1.00000
     28     -15.5746      1.00000
     29     -15.2796      1.00000
     30     -14.8759      1.00000
     31     -14.8291      1.00000
     32     -14.5741      1.00000
     33     -14.5365      1.00000
     34     -14.1635      1.00000
     35     -14.1594      1.00000
     36     -13.1615      1.00000
     37     -13.0950      1.00000
     38     -13.0225      1.00000
     39     -13.0182      1.00000
     40     -12.7173      1.00000
     41     -12.6942      1.00000
     42     -12.3399      1.00000
     43     -12.3128      1.00000
     44     -11.6314      1.00000
     45     -11.6223      1.00000
     46     -11.5697      1.00000
     47     -10.9403      1.00000
     48     -10.9224      1.00000
     49     -10.6682      1.00000
     50     -10.5893      1.00000
     51     -10.5721      1.00000
     52     -10.5006      1.00000
     53     -10.4881      1.00000
     54     -10.4383      1.00000
     55     -10.3554      1.00000
     56     -10.1026      1.00000
     57      -9.8968      1.00000
     58      -9.6078      1.00000
     59      -9.5507      1.00000
     60      -9.4532      1.00000
     61      -9.4180      1.00000
     62      -9.4087      1.00000
     63      -9.3787      1.00000
     64      -9.3713      1.00000
     65      -9.2666      1.00000
     66      -9.1653      1.00000
     67      -9.1412      1.00000
     68      -9.1157      1.00000
     69      -8.8657      1.00000
     70      -8.8597      1.00000
     71      -8.8014      1.00000
     72      -8.5956      1.00000
     73      -8.5257      1.00000
     74      -8.1930      1.00000
     75      -8.1702      1.00000
     76      -8.0750      1.00000
     77      -7.8568      1.00000
     78      -7.8365      1.00000
     79      -7.8229      1.00000
     80      -7.7102      1.00000
     81      -7.6958      1.00000
     82      -7.5968      1.00000
     83      -7.5297      1.00000
     84      -7.3496      1.00000
     85      -7.1678      1.00000
     86      -6.9053      1.00000
     87      -6.8953      1.00000
     88      -6.5917      1.00000
     89      -6.5510      1.00000
     90      -6.4053      1.00000
     91      -6.3015      1.00000
     92      -6.2468      1.00000
     93      -6.2015      1.00000
     94      -6.0035      1.00000
     95      -5.5311      1.00000
     96      -5.4654      1.00000
     97      -5.3137      1.00000
     98      -5.2093      1.00000
     99      -5.0461      1.00000
    100      -4.7228      1.00000
    101      -4.6713      1.00000
    102      -4.4234      1.00000
    103      -4.1941      1.00000
    104      -3.8423      1.00000
    105      -3.6338      1.00000
    106      -3.4159      1.00000
    107      -2.2930      0.00000
    108      -1.5098      0.00000
    109      -1.2705      0.00000
    110      -1.2626      0.00000
    111      -1.0348      0.00000
    112      -0.9772      0.00000
    113      -0.8683      0.00000
    114      -0.7999      0.00000
    115      -0.2620      0.00000
    116       0.2034      0.00000
    117       0.2389      0.00000
    118       0.3598      0.00000
    119       0.6963      0.00000
    120       0.8941      0.00000
    121       0.9236      0.00000
    122       1.0448      0.00000
    123       1.1722      0.00000
    124       1.5144      0.00000
    125       1.5729      0.00000
    126       1.7155      0.00000
    127       1.7791      0.00000
    128       1.8322      0.00000
    129       1.9589      0.00000
    130       1.9992      0.00000
    131       2.1784      0.00000
    132       2.2760      0.00000
    133       2.4261      0.00000
    134       2.4460      0.00000
    135       2.5100      0.00000
    136       2.6009      0.00000
    137       2.6178      0.00000
    138       2.7073      0.00000
    139       2.7680      0.00000
    140       2.8759      0.00000
    141       3.0450      0.00000
    142       3.0927      0.00000
    143       3.1874      0.00000
    144       3.2408      0.00000
    145       3.2469      0.00000
    146       3.3053      0.00000
    147       3.3703      0.00000
    148       3.4606      0.00000
    149       3.5323      0.00000
    150       3.6978      0.00000
    151       3.7181      0.00000
    152       3.7541      0.00000
    153       3.8351      0.00000
    154       3.8931      0.00000
    155       3.9439      0.00000
    156       3.9852      0.00000
    157       4.0086      0.00000
    158       4.0290      0.00000
    159       4.0495      0.00000
    160       4.0838      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3886      1.00000
      2     -21.8298      1.00000
      3     -21.6405      1.00000
      4     -21.6056      1.00000
      5     -21.2779      1.00000
      6     -21.2309      1.00000
      7     -21.0556      1.00000
      8     -20.1706      1.00000
      9     -20.1245      1.00000
     10     -19.6159      1.00000
     11     -19.5901      1.00000
     12     -19.4149      1.00000
     13     -19.0938      1.00000
     14     -19.0551      1.00000
     15     -19.0509      1.00000
     16     -19.0381      1.00000
     17     -18.3659      1.00000
     18     -18.3464      1.00000
     19     -18.0160      1.00000
     20     -17.0718      1.00000
     21     -17.0231      1.00000
     22     -16.9490      1.00000
     23     -16.9353      1.00000
     24     -16.4742      1.00000
     25     -16.4621      1.00000
     26     -15.6089      1.00000
     27     -15.6084      1.00000
     28     -15.2495      1.00000
     29     -15.2376      1.00000
     30     -15.1903      1.00000
     31     -15.1002      1.00000
     32     -15.0673      1.00000
     33     -14.6977      1.00000
     34     -14.6969      1.00000
     35     -13.7246      1.00000
     36     -13.7245      1.00000
     37     -13.2343      1.00000
     38     -12.6233      1.00000
     39     -12.5793      1.00000
     40     -12.4536      1.00000
     41     -12.4483      1.00000
     42     -12.1051      1.00000
     43     -12.1004      1.00000
     44     -11.7212      1.00000
     45     -11.6827      1.00000
     46     -11.2448      1.00000
     47     -11.2242      1.00000
     48     -11.0167      1.00000
     49     -11.0051      1.00000
     50     -10.9274      1.00000
     51     -10.8988      1.00000
     52     -10.6356      1.00000
     53     -10.1711      1.00000
     54     -10.1481      1.00000
     55     -10.0837      1.00000
     56      -9.9908      1.00000
     57      -9.6959      1.00000
     58      -9.6893      1.00000
     59      -9.6694      1.00000
     60      -9.5911      1.00000
     61      -9.5673      1.00000
     62      -9.5529      1.00000
     63      -9.3119      1.00000
     64      -9.2993      1.00000
     65      -9.2821      1.00000
     66      -9.2430      1.00000
     67      -9.1212      1.00000
     68      -9.1117      1.00000
     69      -9.1099      1.00000
     70      -8.9386      1.00000
     71      -8.8754      1.00000
     72      -8.6053      1.00000
     73      -8.5866      1.00000
     74      -8.2700      1.00000
     75      -8.1002      1.00000
     76      -7.8680      1.00000
     77      -7.8428      1.00000
     78      -7.7900      1.00000
     79      -7.7641      1.00000
     80      -7.7551      1.00000
     81      -7.4470      1.00000
     82      -7.3337      1.00000
     83      -7.3221      1.00000
     84      -7.2653      1.00000
     85      -7.1618      1.00000
     86      -7.0158      1.00000
     87      -6.9862      1.00000
     88      -6.7168      1.00000
     89      -6.6898      1.00000
     90      -6.6311      1.00000
     91      -6.5903      1.00000
     92      -6.1162      1.00000
     93      -6.0591      1.00000
     94      -6.0438      1.00000
     95      -6.0290      1.00000
     96      -5.7479      1.00000
     97      -4.9740      1.00000
     98      -4.8388      1.00000
     99      -4.7090      1.00000
    100      -4.6735      1.00000
    101      -4.4832      1.00000
    102      -4.3513      1.00000
    103      -4.1113      1.00000
    104      -4.0549      1.00000
    105      -3.7547      1.00000
    106      -3.4648      1.00000
    107      -1.9510      0.00000
    108      -1.7721      0.00000
    109      -1.4800      0.00000
    110      -1.3560      0.00000
    111      -1.3358      0.00000
    112      -1.2921      0.00000
    113      -0.6780      0.00000
    114      -0.4723      0.00000
    115      -0.2362      0.00000
    116       0.0511      0.00000
    117       0.5938      0.00000
    118       0.6916      0.00000
    119       0.7691      0.00000
    120       1.0230      0.00000
    121       1.0965      0.00000
    122       1.1786      0.00000
    123       1.2520      0.00000
    124       1.3398      0.00000
    125       1.4423      0.00000
    126       1.6114      0.00000
    127       1.7568      0.00000
    128       1.8448      0.00000
    129       1.8567      0.00000
    130       1.8904      0.00000
    131       2.0423      0.00000
    132       2.2233      0.00000
    133       2.2449      0.00000
    134       2.2999      0.00000
    135       2.4848      0.00000
    136       2.6201      0.00000
    137       2.6378      0.00000
    138       2.7688      0.00000
    139       2.8005      0.00000
    140       2.8359      0.00000
    141       2.8508      0.00000
    142       2.8528      0.00000
    143       2.9336      0.00000
    144       3.1036      0.00000
    145       3.3215      0.00000
    146       3.3517      0.00000
    147       3.3907      0.00000
    148       3.4129      0.00000
    149       3.4352      0.00000
    150       3.6056      0.00000
    151       3.6458      0.00000
    152       3.6887      0.00000
    153       3.7400      0.00000
    154       3.9037      0.00000
    155       3.9339      0.00000
    156       3.9589      0.00000
    157       4.1088      0.00000
    158       4.2132      0.00000
    159       4.2722      0.00000
    160       4.2893      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2086      1.00000
      2     -22.1180      1.00000
      3     -21.9557      1.00000
      4     -21.4037      1.00000
      5     -21.0452      1.00000
      6     -21.0168      1.00000
      7     -20.4951      1.00000
      8     -20.4652      1.00000
      9     -20.2852      1.00000
     10     -20.2834      1.00000
     11     -19.9557      1.00000
     12     -19.8927      1.00000
     13     -18.8825      1.00000
     14     -18.8150      1.00000
     15     -18.3371      1.00000
     16     -18.3177      1.00000
     17     -18.1483      1.00000
     18     -18.1408      1.00000
     19     -17.8151      1.00000
     20     -17.7969      1.00000
     21     -17.2574      1.00000
     22     -17.2378      1.00000
     23     -17.1601      1.00000
     24     -17.1347      1.00000
     25     -16.1147      1.00000
     26     -15.8799      1.00000
     27     -15.8688      1.00000
     28     -15.8397      1.00000
     29     -15.2310      1.00000
     30     -14.5504      1.00000
     31     -14.5319      1.00000
     32     -14.2758      1.00000
     33     -13.9738      1.00000
     34     -13.9503      1.00000
     35     -13.8239      1.00000
     36     -13.8017      1.00000
     37     -13.6038      1.00000
     38     -13.5783      1.00000
     39     -13.3689      1.00000
     40     -12.6372      1.00000
     41     -12.1688      1.00000
     42     -12.1422      1.00000
     43     -12.0676      1.00000
     44     -12.0207      1.00000
     45     -11.6640      1.00000
     46     -11.6592      1.00000
     47     -11.1363      1.00000
     48     -11.1255      1.00000
     49     -10.7902      1.00000
     50     -10.7340      1.00000
     51     -10.5341      1.00000
     52     -10.2075      1.00000
     53     -10.2014      1.00000
     54     -10.1694      1.00000
     55     -10.0218      1.00000
     56      -9.9931      1.00000
     57      -9.9892      1.00000
     58      -9.8043      1.00000
     59      -9.7951      1.00000
     60      -9.7640      1.00000
     61      -9.7564      1.00000
     62      -9.4543      1.00000
     63      -9.4163      1.00000
     64      -9.0838      1.00000
     65      -9.0451      1.00000
     66      -9.0245      1.00000
     67      -8.9704      1.00000
     68      -8.8969      1.00000
     69      -8.7075      1.00000
     70      -8.6984      1.00000
     71      -8.5603      1.00000
     72      -8.5493      1.00000
     73      -8.4771      1.00000
     74      -8.4596      1.00000
     75      -8.4563      1.00000
     76      -8.3073      1.00000
     77      -8.0943      1.00000
     78      -8.0883      1.00000
     79      -7.9251      1.00000
     80      -7.8311      1.00000
     81      -7.6000      1.00000
     82      -7.5380      1.00000
     83      -7.4431      1.00000
     84      -7.3145      1.00000
     85      -6.9926      1.00000
     86      -6.9184      1.00000
     87      -6.8807      1.00000
     88      -6.5288      1.00000
     89      -6.5145      1.00000
     90      -6.4811      1.00000
     91      -6.4197      1.00000
     92      -5.9265      1.00000
     93      -5.9052      1.00000
     94      -5.7883      1.00000
     95      -5.7742      1.00000
     96      -5.3692      1.00000
     97      -5.3624      1.00000
     98      -5.2205      1.00000
     99      -5.2149      1.00000
    100      -5.1980      1.00000
    101      -4.7195      1.00000
    102      -4.4418      1.00000
    103      -4.1903      1.00000
    104      -3.8200      1.00000
    105      -3.5646      1.00000
    106      -3.2211      1.00000
    107      -2.5633      0.00000
    108      -1.4638      0.00000
    109      -1.2663      0.00000
    110      -1.1860      0.00000
    111      -1.1843      0.00000
    112      -0.6449      0.00000
    113      -0.5515      0.00000
    114      -0.4153      0.00000
    115      -0.3480      0.00000
    116      -0.0777      0.00000
    117      -0.0633      0.00000
    118       0.1257      0.00000
    119       0.5920      0.00000
    120       0.6260      0.00000
    121       0.8609      0.00000
    122       0.9921      0.00000
    123       1.0080      0.00000
    124       1.4985      0.00000
    125       1.6910      0.00000
    126       1.7847      0.00000
    127       1.8733      0.00000
    128       2.1254      0.00000
    129       2.1262      0.00000
    130       2.1846      0.00000
    131       2.2093      0.00000
    132       2.2517      0.00000
    133       2.3439      0.00000
    134       2.4980      0.00000
    135       2.5003      0.00000
    136       2.6752      0.00000
    137       2.8521      0.00000
    138       2.8606      0.00000
    139       2.9617      0.00000
    140       3.0210      0.00000
    141       3.0540      0.00000
    142       3.1426      0.00000
    143       3.1770      0.00000
    144       3.2505      0.00000
    145       3.2642      0.00000
    146       3.2845      0.00000
    147       3.3083      0.00000
    148       3.3602      0.00000
    149       3.4264      0.00000
    150       3.5586      0.00000
    151       3.5727      0.00000
    152       3.6551      0.00000
    153       3.6663      0.00000
    154       3.6882      0.00000
    155       3.7188      0.00000
    156       3.9032      0.00000
    157       3.9721      0.00000
    158       4.0493      0.00000
    159       4.0920      0.00000
    160       4.1996      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2822      1.00000
      2     -22.0776      1.00000
      3     -21.7193      1.00000
      4     -21.6801      1.00000
      5     -20.9818      1.00000
      6     -20.9342      1.00000
      7     -20.6104      1.00000
      8     -20.5782      1.00000
      9     -20.5648      1.00000
     10     -20.0314      1.00000
     11     -19.5123      1.00000
     12     -19.4826      1.00000
     13     -19.3105      1.00000
     14     -19.2976      1.00000
     15     -18.4488      1.00000
     16     -18.4058      1.00000
     17     -17.9267      1.00000
     18     -17.9066      1.00000
     19     -17.7652      1.00000
     20     -17.7204      1.00000
     21     -17.4408      1.00000
     22     -17.4226      1.00000
     23     -17.3379      1.00000
     24     -16.4703      1.00000
     25     -16.4599      1.00000
     26     -15.9689      1.00000
     27     -15.4103      1.00000
     28     -15.4095      1.00000
     29     -15.0954      1.00000
     30     -15.0922      1.00000
     31     -14.8529      1.00000
     32     -14.8410      1.00000
     33     -14.2967      1.00000
     34     -14.2531      1.00000
     35     -13.4433      1.00000
     36     -13.3995      1.00000
     37     -13.1747      1.00000
     38     -13.1735      1.00000
     39     -12.9841      1.00000
     40     -12.9753      1.00000
     41     -12.6105      1.00000
     42     -12.6086      1.00000
     43     -12.1958      1.00000
     44     -11.5792      1.00000
     45     -11.5381      1.00000
     46     -11.3131      1.00000
     47     -11.2828      1.00000
     48     -11.1410      1.00000
     49     -10.6918      1.00000
     50     -10.6627      1.00000
     51     -10.5457      1.00000
     52     -10.3213      1.00000
     53     -10.3137      1.00000
     54     -10.1745      1.00000
     55     -10.1211      1.00000
     56     -10.1077      1.00000
     57      -9.8103      1.00000
     58      -9.7513      1.00000
     59      -9.7511      1.00000
     60      -9.7012      1.00000
     61      -9.6975      1.00000
     62      -9.6457      1.00000
     63      -9.3518      1.00000
     64      -9.3502      1.00000
     65      -9.3179      1.00000
     66      -9.0267      1.00000
     67      -8.9610      1.00000
     68      -8.9572      1.00000
     69      -8.7744      1.00000
     70      -8.5919      1.00000
     71      -8.5872      1.00000
     72      -8.4228      1.00000
     73      -8.3488      1.00000
     74      -8.3225      1.00000
     75      -8.3018      1.00000
     76      -8.2659      1.00000
     77      -8.2548      1.00000
     78      -8.2395      1.00000
     79      -7.9207      1.00000
     80      -7.7334      1.00000
     81      -7.3782      1.00000
     82      -7.3486      1.00000
     83      -7.3236      1.00000
     84      -7.2163      1.00000
     85      -7.1594      1.00000
     86      -7.0644      1.00000
     87      -6.9598      1.00000
     88      -6.9044      1.00000
     89      -6.6145      1.00000
     90      -6.5553      1.00000
     91      -6.2723      1.00000
     92      -5.9962      1.00000
     93      -5.9590      1.00000
     94      -5.6744      1.00000
     95      -5.6479      1.00000
     96      -5.3873      1.00000
     97      -5.3151      1.00000
     98      -5.2935      1.00000
     99      -5.2114      1.00000
    100      -5.1999      1.00000
    101      -4.5110      1.00000
    102      -4.3378      1.00000
    103      -3.9958      1.00000
    104      -3.8853      1.00000
    105      -3.7924      1.00000
    106      -3.4428      1.00000
    107      -2.0350      0.00000
    108      -1.8645      0.00000
    109      -1.2180      0.00000
    110      -1.1832      0.00000
    111      -1.0364      0.00000
    112      -0.7729      0.00000
    113      -0.6773      0.00000
    114      -0.6605      0.00000
    115      -0.6095      0.00000
    116      -0.1019      0.00000
    117       0.2224      0.00000
    118       0.2396      0.00000
    119       0.7761      0.00000
    120       0.9892      0.00000
    121       1.0746      0.00000
    122       1.2418      0.00000
    123       1.2518      0.00000
    124       1.3462      0.00000
    125       1.5808      0.00000
    126       1.5843      0.00000
    127       1.7160      0.00000
    128       1.7994      0.00000
    129       1.9555      0.00000
    130       1.9787      0.00000
    131       2.0671      0.00000
    132       2.2770      0.00000
    133       2.3422      0.00000
    134       2.4260      0.00000
    135       2.5536      0.00000
    136       2.6341      0.00000
    137       2.7478      0.00000
    138       2.8136      0.00000
    139       2.8512      0.00000
    140       2.8765      0.00000
    141       3.0564      0.00000
    142       3.1087      0.00000
    143       3.1654      0.00000
    144       3.2306      0.00000
    145       3.3773      0.00000
    146       3.4186      0.00000
    147       3.5160      0.00000
    148       3.5658      0.00000
    149       3.5922      0.00000
    150       3.6175      0.00000
    151       3.6596      0.00000
    152       3.7415      0.00000
    153       3.7534      0.00000
    154       3.7747      0.00000
    155       3.7990      0.00000
    156       3.8771      0.00000
    157       4.0239      0.00000
    158       4.0969      0.00000
    159       4.1792      0.00000
    160       4.2230      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4253      1.00000
      2     -21.6021      1.00000
      3     -21.4805      1.00000
      4     -21.4715      1.00000
      5     -21.4399      1.00000
      6     -21.4391      1.00000
      7     -21.4289      1.00000
      8     -19.7064      1.00000
      9     -19.6518      1.00000
     10     -19.6287      1.00000
     11     -19.6174      1.00000
     12     -19.6121      1.00000
     13     -19.6111      1.00000
     14     -18.7888      1.00000
     15     -18.7538      1.00000
     16     -18.7341      1.00000
     17     -18.7248      1.00000
     18     -18.7173      1.00000
     19     -18.7120      1.00000
     20     -16.6341      1.00000
     21     -16.6088      1.00000
     22     -16.5842      1.00000
     23     -16.5805      1.00000
     24     -16.5540      1.00000
     25     -16.5520      1.00000
     26     -15.6129      1.00000
     27     -15.6015      1.00000
     28     -15.5983      1.00000
     29     -15.5643      1.00000
     30     -15.5624      1.00000
     31     -15.5601      1.00000
     32     -14.2588      1.00000
     33     -14.2500      1.00000
     34     -14.2400      1.00000
     35     -14.2351      1.00000
     36     -14.2217      1.00000
     37     -14.2186      1.00000
     38     -11.9047      1.00000
     39     -11.8785      1.00000
     40     -11.8679      1.00000
     41     -11.8650      1.00000
     42     -11.8448      1.00000
     43     -11.8440      1.00000
     44     -11.7701      1.00000
     45     -11.7679      1.00000
     46     -11.7347      1.00000
     47     -11.7282      1.00000
     48     -11.7245      1.00000
     49     -11.7212      1.00000
     50     -10.6746      1.00000
     51     -10.3874      1.00000
     52     -10.3833      1.00000
     53     -10.3763      1.00000
     54     -10.3671      1.00000
     55     -10.3552      1.00000
     56     -10.3529      1.00000
     57      -9.9025      1.00000
     58      -9.4494      1.00000
     59      -9.4044      1.00000
     60      -9.3614      1.00000
     61      -9.3609      1.00000
     62      -9.3530      1.00000
     63      -9.1412      1.00000
     64      -9.1221      1.00000
     65      -9.1204      1.00000
     66      -9.0848      1.00000
     67      -9.0709      1.00000
     68      -9.0701      1.00000
     69      -9.0700      1.00000
     70      -9.0641      1.00000
     71      -9.0635      1.00000
     72      -9.0384      1.00000
     73      -9.0285      1.00000
     74      -9.0253      1.00000
     75      -8.1291      1.00000
     76      -7.7452      1.00000
     77      -7.4690      1.00000
     78      -7.4655      1.00000
     79      -7.4538      1.00000
     80      -7.4338      1.00000
     81      -7.4238      1.00000
     82      -7.4062      1.00000
     83      -7.3119      1.00000
     84      -7.2702      1.00000
     85      -7.2564      1.00000
     86      -7.2481      1.00000
     87      -7.1500      1.00000
     88      -7.0493      1.00000
     89      -6.4453      1.00000
     90      -6.4150      1.00000
     91      -6.3996      1.00000
     92      -6.3631      1.00000
     93      -6.3523      1.00000
     94      -6.3404      1.00000
     95      -5.9598      1.00000
     96      -5.9568      1.00000
     97      -4.8054      1.00000
     98      -4.5436      1.00000
     99      -4.4817      1.00000
    100      -4.4734      1.00000
    101      -4.3824      1.00000
    102      -4.3812      1.00000
    103      -4.2673      1.00000
    104      -4.1867      1.00000
    105      -3.7390      1.00000
    106      -3.4769      1.00000
    107      -1.8623      0.00000
    108      -1.6700      0.00000
    109      -1.6240      0.00000
    110      -1.5922      0.00000
    111      -1.5757      0.00000
    112      -1.5754      0.00000
    113      -0.4291      0.00000
    114       0.1460      0.00000
    115       0.1913      0.00000
    116       0.2548      0.00000
    117       0.2675      0.00000
    118       0.2705      0.00000
    119       0.4763      0.00000
    120       0.5547      0.00000
    121       1.2561      0.00000
    122       1.2915      0.00000
    123       1.5477      0.00000
    124       1.7775      0.00000
    125       1.7796      0.00000
    126       1.7812      0.00000
    127       1.7830      0.00000
    128       1.8315      0.00000
    129       1.9572      0.00000
    130       1.9710      0.00000
    131       1.9738      0.00000
    132       1.9877      0.00000
    133       1.9955      0.00000
    134       2.0848      0.00000
    135       2.2621      0.00000
    136       2.3441      0.00000
    137       2.6288      0.00000
    138       2.6301      0.00000
    139       2.6595      0.00000
    140       2.7273      0.00000
    141       2.9439      0.00000
    142       3.0343      0.00000
    143       3.0452      0.00000
    144       3.0772      0.00000
    145       3.0790      0.00000
    146       3.0833      0.00000
    147       3.1009      0.00000
    148       3.2863      0.00000
    149       3.4537      0.00000
    150       3.5201      0.00000
    151       3.8268      0.00000
    152       3.9643      0.00000
    153       3.9781      0.00000
    154       3.9810      0.00000
    155       3.9880      0.00000
    156       4.0041      0.00000
    157       4.1911      0.00000
    158       4.2656      0.00000
    159       4.2765      0.00000
    160       4.2872      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3886      1.00000
      2     -21.8296      1.00000
      3     -21.6373      1.00000
      4     -21.6095      1.00000
      5     -21.2737      1.00000
      6     -21.2344      1.00000
      7     -21.0560      1.00000
      8     -20.1668      1.00000
      9     -20.1287      1.00000
     10     -19.6077      1.00000
     11     -19.5968      1.00000
     12     -19.4164      1.00000
     13     -19.0887      1.00000
     14     -19.0593      1.00000
     15     -19.0482      1.00000
     16     -19.0406      1.00000
     17     -18.3599      1.00000
     18     -18.3516      1.00000
     19     -18.0183      1.00000
     20     -17.0685      1.00000
     21     -17.0298      1.00000
     22     -16.9433      1.00000
     23     -16.9396      1.00000
     24     -16.4673      1.00000
     25     -16.4629      1.00000
     26     -15.6126      1.00000
     27     -15.6069      1.00000
     28     -15.2515      1.00000
     29     -15.2430      1.00000
     30     -15.1843      1.00000
     31     -15.0975      1.00000
     32     -15.0707      1.00000
     33     -14.6977      1.00000
     34     -14.6958      1.00000
     35     -13.7258      1.00000
     36     -13.7232      1.00000
     37     -13.2355      1.00000
     38     -12.6140      1.00000
     39     -12.5840      1.00000
     40     -12.4536      1.00000
     41     -12.4498      1.00000
     42     -12.1086      1.00000
     43     -12.1040      1.00000
     44     -11.7162      1.00000
     45     -11.6853      1.00000
     46     -11.2345      1.00000
     47     -11.2262      1.00000
     48     -11.0172      1.00000
     49     -11.0092      1.00000
     50     -10.9254      1.00000
     51     -10.9044      1.00000
     52     -10.6296      1.00000
     53     -10.1550      1.00000
     54     -10.1503      1.00000
     55     -10.0918      1.00000
     56      -9.9974      1.00000
     57      -9.7014      1.00000
     58      -9.6950      1.00000
     59      -9.6548      1.00000
     60      -9.5913      1.00000
     61      -9.5758      1.00000
     62      -9.5582      1.00000
     63      -9.3069      1.00000
     64      -9.3027      1.00000
     65      -9.2731      1.00000
     66      -9.2356      1.00000
     67      -9.1357      1.00000
     68      -9.1153      1.00000
     69      -9.1104      1.00000
     70      -8.9387      1.00000
     71      -8.8713      1.00000
     72      -8.6039      1.00000
     73      -8.5903      1.00000
     74      -8.2356      1.00000
     75      -8.1008      1.00000
     76      -7.9124      1.00000
     77      -7.8630      1.00000
     78      -7.7717      1.00000
     79      -7.7565      1.00000
     80      -7.6915      1.00000
     81      -7.5601      1.00000
     82      -7.3391      1.00000
     83      -7.3227      1.00000
     84      -7.2037      1.00000
     85      -7.1230      1.00000
     86      -7.0315      1.00000
     87      -7.0115      1.00000
     88      -6.7037      1.00000
     89      -6.6774      1.00000
     90      -6.6404      1.00000
     91      -6.5975      1.00000
     92      -6.1167      1.00000
     93      -6.0614      1.00000
     94      -6.0304      1.00000
     95      -6.0113      1.00000
     96      -5.7825      1.00000
     97      -4.9736      1.00000
     98      -4.8319      1.00000
     99      -4.7466      1.00000
    100      -4.6788      1.00000
    101      -4.4682      1.00000
    102      -4.2029      1.00000
    103      -4.1720      1.00000
    104      -4.1276      1.00000
    105      -3.7294      1.00000
    106      -3.4871      1.00000
    107      -1.8706      0.00000
    108      -1.8084      0.00000
    109      -1.5249      0.00000
    110      -1.3771      0.00000
    111      -1.3220      0.00000
    112      -1.2887      0.00000
    113      -0.7206      0.00000
    114      -0.3765      0.00000
    115      -0.2497      0.00000
    116       0.0364      0.00000
    117       0.5609      0.00000
    118       0.6996      0.00000
    119       0.7460      0.00000
    120       1.0484      0.00000
    121       1.0987      0.00000
    122       1.1527      0.00000
    123       1.2279      0.00000
    124       1.3838      0.00000
    125       1.5292      0.00000
    126       1.5955      0.00000
    127       1.7192      0.00000
    128       1.8053      0.00000
    129       1.8567      0.00000
    130       1.8821      0.00000
    131       2.0990      0.00000
    132       2.1973      0.00000
    133       2.2459      0.00000
    134       2.3173      0.00000
    135       2.5230      0.00000
    136       2.6036      0.00000
    137       2.6266      0.00000
    138       2.7853      0.00000
    139       2.7991      0.00000
    140       2.8259      0.00000
    141       2.8418      0.00000
    142       2.9063      0.00000
    143       2.9363      0.00000
    144       3.0980      0.00000
    145       3.1655      0.00000
    146       3.3251      0.00000
    147       3.3661      0.00000
    148       3.4131      0.00000
    149       3.4774      0.00000
    150       3.6181      0.00000
    151       3.6468      0.00000
    152       3.6753      0.00000
    153       3.7213      0.00000
    154       3.9248      0.00000
    155       3.9659      0.00000
    156       4.0244      0.00000
    157       4.0704      0.00000
    158       4.2521      0.00000
    159       4.2618      0.00000
    160       4.2828      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2826      1.00000
      2     -22.0771      1.00000
      3     -21.7157      1.00000
      4     -21.6839      1.00000
      5     -20.9785      1.00000
      6     -20.9380      1.00000
      7     -20.6109      1.00000
      8     -20.5744      1.00000
      9     -20.5681      1.00000
     10     -20.0318      1.00000
     11     -19.5025      1.00000
     12     -19.4909      1.00000
     13     -19.3060      1.00000
     14     -19.3009      1.00000
     15     -18.4469      1.00000
     16     -18.4103      1.00000
     17     -17.9216      1.00000
     18     -17.9123      1.00000
     19     -17.7609      1.00000
     20     -17.7252      1.00000
     21     -17.4352      1.00000
     22     -17.4280      1.00000
     23     -17.3402      1.00000
     24     -16.4623      1.00000
     25     -16.4612      1.00000
     26     -15.9665      1.00000
     27     -15.4130      1.00000
     28     -15.4084      1.00000
     29     -15.0954      1.00000
     30     -15.0927      1.00000
     31     -14.8542      1.00000
     32     -14.8468      1.00000
     33     -14.2900      1.00000
     34     -14.2572      1.00000
     35     -13.4364      1.00000
     36     -13.4040      1.00000
     37     -13.1768      1.00000
     38     -13.1734      1.00000
     39     -12.9810      1.00000
     40     -12.9761      1.00000
     41     -12.6125      1.00000
     42     -12.6090      1.00000
     43     -12.1976      1.00000
     44     -11.5754      1.00000
     45     -11.5417      1.00000
     46     -11.3095      1.00000
     47     -11.2869      1.00000
     48     -11.1419      1.00000
     49     -10.6756      1.00000
     50     -10.6605      1.00000
     51     -10.5517      1.00000
     52     -10.3233      1.00000
     53     -10.3169      1.00000
     54     -10.1682      1.00000
     55     -10.1154      1.00000
     56     -10.1119      1.00000
     57      -9.7971      1.00000
     58      -9.7650      1.00000
     59      -9.7511      1.00000
     60      -9.6991      1.00000
     61      -9.6971      1.00000
     62      -9.6610      1.00000
     63      -9.3546      1.00000
     64      -9.3506      1.00000
     65      -9.3145      1.00000
     66      -9.0400      1.00000
     67      -8.9624      1.00000
     68      -8.9482      1.00000
     69      -8.7986      1.00000
     70      -8.5939      1.00000
     71      -8.5567      1.00000
     72      -8.3975      1.00000
     73      -8.3640      1.00000
     74      -8.3238      1.00000
     75      -8.3065      1.00000
     76      -8.2585      1.00000
     77      -8.2565      1.00000
     78      -8.2355      1.00000
     79      -7.9041      1.00000
     80      -7.6506      1.00000
     81      -7.5489      1.00000
     82      -7.3868      1.00000
     83      -7.3497      1.00000
     84      -7.2314      1.00000
     85      -7.0958      1.00000
     86      -7.0383      1.00000
     87      -6.9332      1.00000
     88      -6.8481      1.00000
     89      -6.6118      1.00000
     90      -6.5594      1.00000
     91      -6.2689      1.00000
     92      -6.0430      1.00000
     93      -5.9509      1.00000
     94      -5.6619      1.00000
     95      -5.6226      1.00000
     96      -5.4624      1.00000
     97      -5.3191      1.00000
     98      -5.2783      1.00000
     99      -5.2131      1.00000
    100      -5.1939      1.00000
    101      -4.5078      1.00000
    102      -4.2070      1.00000
    103      -4.0588      1.00000
    104      -3.9892      1.00000
    105      -3.6942      1.00000
    106      -3.4973      1.00000
    107      -1.9462      0.00000
    108      -1.8962      0.00000
    109      -1.3395      0.00000
    110      -1.0854      0.00000
    111      -1.0578      0.00000
    112      -0.8009      0.00000
    113      -0.6772      0.00000
    114      -0.6475      0.00000
    115      -0.6080      0.00000
    116      -0.1085      0.00000
    117       0.2147      0.00000
    118       0.3284      0.00000
    119       0.6999      0.00000
    120       0.8923      0.00000
    121       1.1283      0.00000
    122       1.1989      0.00000
    123       1.3318      0.00000
    124       1.4276      0.00000
    125       1.5563      0.00000
    126       1.5770      0.00000
    127       1.6911      0.00000
    128       1.8109      0.00000
    129       1.8891      0.00000
    130       2.0623      0.00000
    131       2.1136      0.00000
    132       2.3135      0.00000
    133       2.3543      0.00000
    134       2.4079      0.00000
    135       2.5597      0.00000
    136       2.6361      0.00000
    137       2.7364      0.00000
    138       2.7402      0.00000
    139       2.8114      0.00000
    140       2.8908      0.00000
    141       3.0562      0.00000
    142       3.0673      0.00000
    143       3.1760      0.00000
    144       3.2727      0.00000
    145       3.3673      0.00000
    146       3.4227      0.00000
    147       3.4437      0.00000
    148       3.5706      0.00000
    149       3.5893      0.00000
    150       3.6134      0.00000
    151       3.6627      0.00000
    152       3.6819      0.00000
    153       3.7795      0.00000
    154       3.7922      0.00000
    155       3.8097      0.00000
    156       3.8948      0.00000
    157       3.9328      0.00000
    158       3.9978      0.00000
    159       4.2238      0.00000
    160       4.2300      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3166      1.00000
      2     -21.9619      1.00000
      3     -21.8928      1.00000
      4     -21.3801      1.00000
      5     -21.3508      1.00000
      6     -20.8389      1.00000
      7     -20.7736      1.00000
      8     -20.6233      1.00000
      9     -20.0767      1.00000
     10     -20.0712      1.00000
     11     -19.7161      1.00000
     12     -19.6915      1.00000
     13     -18.9956      1.00000
     14     -18.9899      1.00000
     15     -18.6400      1.00000
     16     -18.6239      1.00000
     17     -18.4615      1.00000
     18     -17.6746      1.00000
     19     -17.6242      1.00000
     20     -17.6215      1.00000
     21     -17.5796      1.00000
     22     -17.1261      1.00000
     23     -17.1044      1.00000
     24     -16.9619      1.00000
     25     -16.0018      1.00000
     26     -15.9278      1.00000
     27     -15.5852      1.00000
     28     -15.5850      1.00000
     29     -15.2855      1.00000
     30     -14.8639      1.00000
     31     -14.8365      1.00000
     32     -14.5786      1.00000
     33     -14.5367      1.00000
     34     -14.1676      1.00000
     35     -14.1541      1.00000
     36     -13.1484      1.00000
     37     -13.1001      1.00000
     38     -13.0293      1.00000
     39     -13.0192      1.00000
     40     -12.7087      1.00000
     41     -12.7048      1.00000
     42     -12.3406      1.00000
     43     -12.3094      1.00000
     44     -11.6350      1.00000
     45     -11.6214      1.00000
     46     -11.5705      1.00000
     47     -10.9484      1.00000
     48     -10.9155      1.00000
     49     -10.6319      1.00000
     50     -10.6248      1.00000
     51     -10.5466      1.00000
     52     -10.4989      1.00000
     53     -10.4986      1.00000
     54     -10.4404      1.00000
     55     -10.3604      1.00000
     56     -10.0983      1.00000
     57      -9.9025      1.00000
     58      -9.6088      1.00000
     59      -9.5563      1.00000
     60      -9.4516      1.00000
     61      -9.4113      1.00000
     62      -9.4045      1.00000
     63      -9.3772      1.00000
     64      -9.3771      1.00000
     65      -9.2864      1.00000
     66      -9.1675      1.00000
     67      -9.1423      1.00000
     68      -9.1133      1.00000
     69      -8.8639      1.00000
     70      -8.8565      1.00000
     71      -8.8142      1.00000
     72      -8.5961      1.00000
     73      -8.4790      1.00000
     74      -8.1978      1.00000
     75      -8.1625      1.00000
     76      -8.0082      1.00000
     77      -7.9630      1.00000
     78      -7.8514      1.00000
     79      -7.8408      1.00000
     80      -7.7041      1.00000
     81      -7.6971      1.00000
     82      -7.6217      1.00000
     83      -7.4482      1.00000
     84      -7.3001      1.00000
     85      -7.2529      1.00000
     86      -6.9060      1.00000
     87      -6.8923      1.00000
     88      -6.5880      1.00000
     89      -6.5508      1.00000
     90      -6.4077      1.00000
     91      -6.2531      1.00000
     92      -6.2328      1.00000
     93      -6.2038      1.00000
     94      -6.0222      1.00000
     95      -5.5492      1.00000
     96      -5.4881      1.00000
     97      -5.3495      1.00000
     98      -5.2189      1.00000
     99      -4.9797      1.00000
    100      -4.7320      1.00000
    101      -4.6776      1.00000
    102      -4.3871      1.00000
    103      -4.2024      1.00000
    104      -3.8706      1.00000
    105      -3.5469      1.00000
    106      -3.5092      1.00000
    107      -2.2557      0.00000
    108      -1.4567      0.00000
    109      -1.3706      0.00000
    110      -1.2419      0.00000
    111      -1.0986      0.00000
    112      -0.9458      0.00000
    113      -0.8646      0.00000
    114      -0.8042      0.00000
    115      -0.1397      0.00000
    116       0.1114      0.00000
    117       0.2406      0.00000
    118       0.3766      0.00000
    119       0.6578      0.00000
    120       0.8358      0.00000
    121       0.9361      0.00000
    122       1.0682      0.00000
    123       1.2399      0.00000
    124       1.4515      0.00000
    125       1.5650      0.00000
    126       1.7657      0.00000
    127       1.7930      0.00000
    128       1.8699      0.00000
    129       1.9838      0.00000
    130       2.0449      0.00000
    131       2.1883      0.00000
    132       2.1891      0.00000
    133       2.4215      0.00000
    134       2.4394      0.00000
    135       2.5141      0.00000
    136       2.6040      0.00000
    137       2.6351      0.00000
    138       2.7032      0.00000
    139       2.7897      0.00000
    140       2.8473      0.00000
    141       2.9624      0.00000
    142       3.0944      0.00000
    143       3.1932      0.00000
    144       3.2116      0.00000
    145       3.2458      0.00000
    146       3.3325      0.00000
    147       3.3449      0.00000
    148       3.4745      0.00000
    149       3.5131      0.00000
    150       3.6985      0.00000
    151       3.7197      0.00000
    152       3.7293      0.00000
    153       3.8644      0.00000
    154       3.9113      0.00000
    155       3.9585      0.00000
    156       3.9817      0.00000
    157       4.0037      0.00000
    158       4.0354      0.00000
    159       4.0585      0.00000
    160       4.0740      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2095      1.00000
      2     -22.1167      1.00000
      3     -21.9560      1.00000
      4     -21.4036      1.00000
      5     -21.0489      1.00000
      6     -21.0131      1.00000
      7     -20.4998      1.00000
      8     -20.4605      1.00000
      9     -20.2942      1.00000
     10     -20.2749      1.00000
     11     -19.9568      1.00000
     12     -19.8911      1.00000
     13     -18.8818      1.00000
     14     -18.8132      1.00000
     15     -18.3521      1.00000
     16     -18.3061      1.00000
     17     -18.1525      1.00000
     18     -18.1353      1.00000
     19     -17.8261      1.00000
     20     -17.7887      1.00000
     21     -17.2513      1.00000
     22     -17.2415      1.00000
     23     -17.1642      1.00000
     24     -17.1324      1.00000
     25     -16.1096      1.00000
     26     -15.8844      1.00000
     27     -15.8696      1.00000
     28     -15.8340      1.00000
     29     -15.2360      1.00000
     30     -14.5544      1.00000
     31     -14.5267      1.00000
     32     -14.2797      1.00000
     33     -13.9637      1.00000
     34     -13.9561      1.00000
     35     -13.8202      1.00000
     36     -13.8046      1.00000
     37     -13.6141      1.00000
     38     -13.5704      1.00000
     39     -13.3691      1.00000
     40     -12.6340      1.00000
     41     -12.1804      1.00000
     42     -12.1326      1.00000
     43     -12.0711      1.00000
     44     -12.0190      1.00000
     45     -11.6697      1.00000
     46     -11.6562      1.00000
     47     -11.1386      1.00000
     48     -11.1182      1.00000
     49     -10.7939      1.00000
     50     -10.7304      1.00000
     51     -10.5273      1.00000
     52     -10.2089      1.00000
     53     -10.2049      1.00000
     54     -10.1637      1.00000
     55     -10.0177      1.00000
     56     -10.0035      1.00000
     57      -9.9901      1.00000
     58      -9.8009      1.00000
     59      -9.7974      1.00000
     60      -9.7624      1.00000
     61      -9.7576      1.00000
     62      -9.4539      1.00000
     63      -9.4164      1.00000
     64      -9.0796      1.00000
     65      -9.0726      1.00000
     66      -9.0404      1.00000
     67      -8.9548      1.00000
     68      -8.8764      1.00000
     69      -8.7120      1.00000
     70      -8.6997      1.00000
     71      -8.5652      1.00000
     72      -8.5424      1.00000
     73      -8.4984      1.00000
     74      -8.4630      1.00000
     75      -8.4521      1.00000
     76      -8.2595      1.00000
     77      -8.1246      1.00000
     78      -8.0425      1.00000
     79      -7.9161      1.00000
     80      -7.8624      1.00000
     81      -7.6142      1.00000
     82      -7.5480      1.00000
     83      -7.4897      1.00000
     84      -7.2681      1.00000
     85      -6.9960      1.00000
     86      -6.9236      1.00000
     87      -6.8827      1.00000
     88      -6.5319      1.00000
     89      -6.4865      1.00000
     90      -6.4608      1.00000
     91      -6.4098      1.00000
     92      -5.9830      1.00000
     93      -5.8968      1.00000
     94      -5.7838      1.00000
     95      -5.7594      1.00000
     96      -5.4312      1.00000
     97      -5.3288      1.00000
     98      -5.2295      1.00000
     99      -5.2169      1.00000
    100      -5.1886      1.00000
    101      -4.6918      1.00000
    102      -4.4211      1.00000
    103      -4.2089      1.00000
    104      -3.8337      1.00000
    105      -3.5283      1.00000
    106      -3.2745      1.00000
    107      -2.5309      0.00000
    108      -1.4584      0.00000
    109      -1.2665      0.00000
    110      -1.2031      0.00000
    111      -1.1725      0.00000
    112      -0.7201      0.00000
    113      -0.5040      0.00000
    114      -0.4126      0.00000
    115      -0.3396      0.00000
    116      -0.1466      0.00000
    117      -0.0037      0.00000
    118       0.1933      0.00000
    119       0.5614      0.00000
    120       0.6121      0.00000
    121       0.8013      0.00000
    122       0.9127      0.00000
    123       1.1387      0.00000
    124       1.5028      0.00000
    125       1.6417      0.00000
    126       1.8692      0.00000
    127       1.9362      0.00000
    128       2.1141      0.00000
    129       2.1265      0.00000
    130       2.1311      0.00000
    131       2.1772      0.00000
    132       2.2794      0.00000
    133       2.3284      0.00000
    134       2.4604      0.00000
    135       2.5793      0.00000
    136       2.6647      0.00000
    137       2.8603      0.00000
    138       2.8718      0.00000
    139       2.9006      0.00000
    140       3.0332      0.00000
    141       3.0384      0.00000
    142       3.1488      0.00000
    143       3.1659      0.00000
    144       3.2404      0.00000
    145       3.2813      0.00000
    146       3.2892      0.00000
    147       3.3054      0.00000
    148       3.3517      0.00000
    149       3.4322      0.00000
    150       3.4520      0.00000
    151       3.5612      0.00000
    152       3.6269      0.00000
    153       3.6905      0.00000
    154       3.7209      0.00000
    155       3.7834      0.00000
    156       3.9005      0.00000
    157       3.9519      0.00000
    158       4.0154      0.00000
    159       4.1479      0.00000
    160       4.2371      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3164      1.00000
      2     -21.9634      1.00000
      3     -21.8913      1.00000
      4     -21.3837      1.00000
      5     -21.3474      1.00000
      6     -20.8386      1.00000
      7     -20.7723      1.00000
      8     -20.6242      1.00000
      9     -20.0887      1.00000
     10     -20.0601      1.00000
     11     -19.7176      1.00000
     12     -19.6889      1.00000
     13     -19.0090      1.00000
     14     -18.9781      1.00000
     15     -18.6491      1.00000
     16     -18.6164      1.00000
     17     -18.4600      1.00000
     18     -17.6598      1.00000
     19     -17.6463      1.00000
     20     -17.6100      1.00000
     21     -17.5774      1.00000
     22     -17.1366      1.00000
     23     -17.0968      1.00000
     24     -16.9652      1.00000
     25     -16.0075      1.00000
     26     -15.9226      1.00000
     27     -15.5980      1.00000
     28     -15.5746      1.00000
     29     -15.2796      1.00000
     30     -14.8759      1.00000
     31     -14.8291      1.00000
     32     -14.5741      1.00000
     33     -14.5365      1.00000
     34     -14.1635      1.00000
     35     -14.1594      1.00000
     36     -13.1615      1.00000
     37     -13.0950      1.00000
     38     -13.0225      1.00000
     39     -13.0182      1.00000
     40     -12.7173      1.00000
     41     -12.6942      1.00000
     42     -12.3399      1.00000
     43     -12.3128      1.00000
     44     -11.6314      1.00000
     45     -11.6223      1.00000
     46     -11.5697      1.00000
     47     -10.9403      1.00000
     48     -10.9224      1.00000
     49     -10.6682      1.00000
     50     -10.5893      1.00000
     51     -10.5721      1.00000
     52     -10.5006      1.00000
     53     -10.4881      1.00000
     54     -10.4383      1.00000
     55     -10.3554      1.00000
     56     -10.1026      1.00000
     57      -9.8968      1.00000
     58      -9.6078      1.00000
     59      -9.5507      1.00000
     60      -9.4532      1.00000
     61      -9.4180      1.00000
     62      -9.4087      1.00000
     63      -9.3787      1.00000
     64      -9.3713      1.00000
     65      -9.2666      1.00000
     66      -9.1653      1.00000
     67      -9.1412      1.00000
     68      -9.1157      1.00000
     69      -8.8657      1.00000
     70      -8.8597      1.00000
     71      -8.8014      1.00000
     72      -8.5956      1.00000
     73      -8.5257      1.00000
     74      -8.1930      1.00000
     75      -8.1702      1.00000
     76      -8.0750      1.00000
     77      -7.8568      1.00000
     78      -7.8365      1.00000
     79      -7.8229      1.00000
     80      -7.7102      1.00000
     81      -7.6958      1.00000
     82      -7.5968      1.00000
     83      -7.5297      1.00000
     84      -7.3496      1.00000
     85      -7.1678      1.00000
     86      -6.9053      1.00000
     87      -6.8953      1.00000
     88      -6.5917      1.00000
     89      -6.5510      1.00000
     90      -6.4053      1.00000
     91      -6.3015      1.00000
     92      -6.2468      1.00000
     93      -6.2015      1.00000
     94      -6.0035      1.00000
     95      -5.5311      1.00000
     96      -5.4654      1.00000
     97      -5.3137      1.00000
     98      -5.2093      1.00000
     99      -5.0461      1.00000
    100      -4.7228      1.00000
    101      -4.6713      1.00000
    102      -4.4234      1.00000
    103      -4.1941      1.00000
    104      -3.8423      1.00000
    105      -3.6338      1.00000
    106      -3.4159      1.00000
    107      -2.2930      0.00000
    108      -1.5098      0.00000
    109      -1.2705      0.00000
    110      -1.2626      0.00000
    111      -1.0348      0.00000
    112      -0.9772      0.00000
    113      -0.8683      0.00000
    114      -0.7999      0.00000
    115      -0.2620      0.00000
    116       0.2034      0.00000
    117       0.2389      0.00000
    118       0.3598      0.00000
    119       0.6963      0.00000
    120       0.8941      0.00000
    121       0.9236      0.00000
    122       1.0448      0.00000
    123       1.1722      0.00000
    124       1.5144      0.00000
    125       1.5729      0.00000
    126       1.7155      0.00000
    127       1.7791      0.00000
    128       1.8322      0.00000
    129       1.9589      0.00000
    130       1.9992      0.00000
    131       2.1784      0.00000
    132       2.2760      0.00000
    133       2.4261      0.00000
    134       2.4460      0.00000
    135       2.5100      0.00000
    136       2.6009      0.00000
    137       2.6178      0.00000
    138       2.7073      0.00000
    139       2.7680      0.00000
    140       2.8759      0.00000
    141       3.0450      0.00000
    142       3.0927      0.00000
    143       3.1874      0.00000
    144       3.2408      0.00000
    145       3.2469      0.00000
    146       3.3053      0.00000
    147       3.3703      0.00000
    148       3.4606      0.00000
    149       3.5323      0.00000
    150       3.6978      0.00000
    151       3.7181      0.00000
    152       3.7541      0.00000
    153       3.8351      0.00000
    154       3.8931      0.00000
    155       3.9439      0.00000
    156       3.9852      0.00000
    157       4.0086      0.00000
    158       4.0290      0.00000
    159       4.0495      0.00000
    160       4.0838      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3886      1.00000
      2     -21.8298      1.00000
      3     -21.6405      1.00000
      4     -21.6056      1.00000
      5     -21.2779      1.00000
      6     -21.2309      1.00000
      7     -21.0556      1.00000
      8     -20.1706      1.00000
      9     -20.1245      1.00000
     10     -19.6159      1.00000
     11     -19.5901      1.00000
     12     -19.4149      1.00000
     13     -19.0938      1.00000
     14     -19.0551      1.00000
     15     -19.0509      1.00000
     16     -19.0381      1.00000
     17     -18.3659      1.00000
     18     -18.3464      1.00000
     19     -18.0160      1.00000
     20     -17.0718      1.00000
     21     -17.0231      1.00000
     22     -16.9490      1.00000
     23     -16.9353      1.00000
     24     -16.4742      1.00000
     25     -16.4621      1.00000
     26     -15.6089      1.00000
     27     -15.6084      1.00000
     28     -15.2495      1.00000
     29     -15.2376      1.00000
     30     -15.1903      1.00000
     31     -15.1002      1.00000
     32     -15.0673      1.00000
     33     -14.6977      1.00000
     34     -14.6969      1.00000
     35     -13.7246      1.00000
     36     -13.7245      1.00000
     37     -13.2343      1.00000
     38     -12.6233      1.00000
     39     -12.5793      1.00000
     40     -12.4536      1.00000
     41     -12.4483      1.00000
     42     -12.1051      1.00000
     43     -12.1004      1.00000
     44     -11.7212      1.00000
     45     -11.6827      1.00000
     46     -11.2448      1.00000
     47     -11.2242      1.00000
     48     -11.0167      1.00000
     49     -11.0051      1.00000
     50     -10.9274      1.00000
     51     -10.8988      1.00000
     52     -10.6356      1.00000
     53     -10.1711      1.00000
     54     -10.1481      1.00000
     55     -10.0837      1.00000
     56      -9.9908      1.00000
     57      -9.6959      1.00000
     58      -9.6893      1.00000
     59      -9.6694      1.00000
     60      -9.5911      1.00000
     61      -9.5673      1.00000
     62      -9.5529      1.00000
     63      -9.3119      1.00000
     64      -9.2993      1.00000
     65      -9.2821      1.00000
     66      -9.2430      1.00000
     67      -9.1212      1.00000
     68      -9.1117      1.00000
     69      -9.1099      1.00000
     70      -8.9386      1.00000
     71      -8.8754      1.00000
     72      -8.6053      1.00000
     73      -8.5866      1.00000
     74      -8.2700      1.00000
     75      -8.1002      1.00000
     76      -7.8680      1.00000
     77      -7.8428      1.00000
     78      -7.7900      1.00000
     79      -7.7641      1.00000
     80      -7.7551      1.00000
     81      -7.4470      1.00000
     82      -7.3337      1.00000
     83      -7.3221      1.00000
     84      -7.2653      1.00000
     85      -7.1618      1.00000
     86      -7.0158      1.00000
     87      -6.9862      1.00000
     88      -6.7168      1.00000
     89      -6.6898      1.00000
     90      -6.6311      1.00000
     91      -6.5903      1.00000
     92      -6.1162      1.00000
     93      -6.0591      1.00000
     94      -6.0438      1.00000
     95      -6.0290      1.00000
     96      -5.7479      1.00000
     97      -4.9740      1.00000
     98      -4.8388      1.00000
     99      -4.7090      1.00000
    100      -4.6735      1.00000
    101      -4.4832      1.00000
    102      -4.3513      1.00000
    103      -4.1113      1.00000
    104      -4.0549      1.00000
    105      -3.7547      1.00000
    106      -3.4648      1.00000
    107      -1.9510      0.00000
    108      -1.7721      0.00000
    109      -1.4800      0.00000
    110      -1.3560      0.00000
    111      -1.3358      0.00000
    112      -1.2921      0.00000
    113      -0.6780      0.00000
    114      -0.4723      0.00000
    115      -0.2362      0.00000
    116       0.0511      0.00000
    117       0.5938      0.00000
    118       0.6916      0.00000
    119       0.7691      0.00000
    120       1.0230      0.00000
    121       1.0965      0.00000
    122       1.1786      0.00000
    123       1.2520      0.00000
    124       1.3398      0.00000
    125       1.4423      0.00000
    126       1.6114      0.00000
    127       1.7568      0.00000
    128       1.8448      0.00000
    129       1.8567      0.00000
    130       1.8904      0.00000
    131       2.0423      0.00000
    132       2.2233      0.00000
    133       2.2449      0.00000
    134       2.2999      0.00000
    135       2.4848      0.00000
    136       2.6201      0.00000
    137       2.6378      0.00000
    138       2.7688      0.00000
    139       2.8005      0.00000
    140       2.8359      0.00000
    141       2.8508      0.00000
    142       2.8528      0.00000
    143       2.9336      0.00000
    144       3.1036      0.00000
    145       3.3215      0.00000
    146       3.3517      0.00000
    147       3.3907      0.00000
    148       3.4129      0.00000
    149       3.4352      0.00000
    150       3.6056      0.00000
    151       3.6459      0.00000
    152       3.6887      0.00000
    153       3.7400      0.00000
    154       3.9037      0.00000
    155       3.9339      0.00000
    156       3.9589      0.00000
    157       4.1088      0.00000
    158       4.2132      0.00000
    159       4.2722      0.00000
    160       4.2893      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2086      1.00000
      2     -22.1180      1.00000
      3     -21.9557      1.00000
      4     -21.4037      1.00000
      5     -21.0452      1.00000
      6     -21.0168      1.00000
      7     -20.4951      1.00000
      8     -20.4652      1.00000
      9     -20.2852      1.00000
     10     -20.2834      1.00000
     11     -19.9557      1.00000
     12     -19.8927      1.00000
     13     -18.8825      1.00000
     14     -18.8150      1.00000
     15     -18.3371      1.00000
     16     -18.3177      1.00000
     17     -18.1483      1.00000
     18     -18.1408      1.00000
     19     -17.8151      1.00000
     20     -17.7969      1.00000
     21     -17.2574      1.00000
     22     -17.2378      1.00000
     23     -17.1601      1.00000
     24     -17.1347      1.00000
     25     -16.1147      1.00000
     26     -15.8799      1.00000
     27     -15.8688      1.00000
     28     -15.8397      1.00000
     29     -15.2310      1.00000
     30     -14.5504      1.00000
     31     -14.5319      1.00000
     32     -14.2758      1.00000
     33     -13.9738      1.00000
     34     -13.9503      1.00000
     35     -13.8239      1.00000
     36     -13.8017      1.00000
     37     -13.6038      1.00000
     38     -13.5783      1.00000
     39     -13.3689      1.00000
     40     -12.6372      1.00000
     41     -12.1688      1.00000
     42     -12.1422      1.00000
     43     -12.0676      1.00000
     44     -12.0207      1.00000
     45     -11.6640      1.00000
     46     -11.6592      1.00000
     47     -11.1363      1.00000
     48     -11.1255      1.00000
     49     -10.7902      1.00000
     50     -10.7340      1.00000
     51     -10.5341      1.00000
     52     -10.2075      1.00000
     53     -10.2014      1.00000
     54     -10.1694      1.00000
     55     -10.0218      1.00000
     56      -9.9931      1.00000
     57      -9.9892      1.00000
     58      -9.8043      1.00000
     59      -9.7951      1.00000
     60      -9.7640      1.00000
     61      -9.7564      1.00000
     62      -9.4543      1.00000
     63      -9.4163      1.00000
     64      -9.0838      1.00000
     65      -9.0451      1.00000
     66      -9.0245      1.00000
     67      -8.9704      1.00000
     68      -8.8969      1.00000
     69      -8.7075      1.00000
     70      -8.6984      1.00000
     71      -8.5603      1.00000
     72      -8.5493      1.00000
     73      -8.4771      1.00000
     74      -8.4596      1.00000
     75      -8.4563      1.00000
     76      -8.3073      1.00000
     77      -8.0943      1.00000
     78      -8.0883      1.00000
     79      -7.9251      1.00000
     80      -7.8311      1.00000
     81      -7.6000      1.00000
     82      -7.5380      1.00000
     83      -7.4431      1.00000
     84      -7.3145      1.00000
     85      -6.9926      1.00000
     86      -6.9184      1.00000
     87      -6.8807      1.00000
     88      -6.5288      1.00000
     89      -6.5145      1.00000
     90      -6.4811      1.00000
     91      -6.4197      1.00000
     92      -5.9265      1.00000
     93      -5.9052      1.00000
     94      -5.7883      1.00000
     95      -5.7742      1.00000
     96      -5.3692      1.00000
     97      -5.3624      1.00000
     98      -5.2205      1.00000
     99      -5.2149      1.00000
    100      -5.1980      1.00000
    101      -4.7195      1.00000
    102      -4.4418      1.00000
    103      -4.1903      1.00000
    104      -3.8200      1.00000
    105      -3.5646      1.00000
    106      -3.2211      1.00000
    107      -2.5633      0.00000
    108      -1.4638      0.00000
    109      -1.2663      0.00000
    110      -1.1860      0.00000
    111      -1.1843      0.00000
    112      -0.6449      0.00000
    113      -0.5515      0.00000
    114      -0.4153      0.00000
    115      -0.3480      0.00000
    116      -0.0777      0.00000
    117      -0.0633      0.00000
    118       0.1257      0.00000
    119       0.5920      0.00000
    120       0.6260      0.00000
    121       0.8609      0.00000
    122       0.9921      0.00000
    123       1.0080      0.00000
    124       1.4985      0.00000
    125       1.6910      0.00000
    126       1.7847      0.00000
    127       1.8733      0.00000
    128       2.1254      0.00000
    129       2.1262      0.00000
    130       2.1846      0.00000
    131       2.2093      0.00000
    132       2.2517      0.00000
    133       2.3439      0.00000
    134       2.4980      0.00000
    135       2.5003      0.00000
    136       2.6752      0.00000
    137       2.8521      0.00000
    138       2.8606      0.00000
    139       2.9617      0.00000
    140       3.0210      0.00000
    141       3.0540      0.00000
    142       3.1426      0.00000
    143       3.1770      0.00000
    144       3.2505      0.00000
    145       3.2642      0.00000
    146       3.2845      0.00000
    147       3.3083      0.00000
    148       3.3602      0.00000
    149       3.4264      0.00000
    150       3.5586      0.00000
    151       3.5727      0.00000
    152       3.6551      0.00000
    153       3.6663      0.00000
    154       3.6882      0.00000
    155       3.7188      0.00000
    156       3.9032      0.00000
    157       3.9721      0.00000
    158       4.0493      0.00000
    159       4.0920      0.00000
    160       4.1996      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2822      1.00000
      2     -22.0776      1.00000
      3     -21.7193      1.00000
      4     -21.6801      1.00000
      5     -20.9818      1.00000
      6     -20.9342      1.00000
      7     -20.6104      1.00000
      8     -20.5782      1.00000
      9     -20.5648      1.00000
     10     -20.0314      1.00000
     11     -19.5123      1.00000
     12     -19.4826      1.00000
     13     -19.3105      1.00000
     14     -19.2976      1.00000
     15     -18.4488      1.00000
     16     -18.4058      1.00000
     17     -17.9267      1.00000
     18     -17.9066      1.00000
     19     -17.7652      1.00000
     20     -17.7204      1.00000
     21     -17.4408      1.00000
     22     -17.4226      1.00000
     23     -17.3379      1.00000
     24     -16.4703      1.00000
     25     -16.4599      1.00000
     26     -15.9689      1.00000
     27     -15.4103      1.00000
     28     -15.4095      1.00000
     29     -15.0954      1.00000
     30     -15.0922      1.00000
     31     -14.8529      1.00000
     32     -14.8410      1.00000
     33     -14.2967      1.00000
     34     -14.2531      1.00000
     35     -13.4433      1.00000
     36     -13.3995      1.00000
     37     -13.1747      1.00000
     38     -13.1735      1.00000
     39     -12.9841      1.00000
     40     -12.9753      1.00000
     41     -12.6105      1.00000
     42     -12.6086      1.00000
     43     -12.1958      1.00000
     44     -11.5792      1.00000
     45     -11.5381      1.00000
     46     -11.3131      1.00000
     47     -11.2828      1.00000
     48     -11.1410      1.00000
     49     -10.6918      1.00000
     50     -10.6627      1.00000
     51     -10.5457      1.00000
     52     -10.3213      1.00000
     53     -10.3137      1.00000
     54     -10.1745      1.00000
     55     -10.1211      1.00000
     56     -10.1077      1.00000
     57      -9.8103      1.00000
     58      -9.7513      1.00000
     59      -9.7511      1.00000
     60      -9.7012      1.00000
     61      -9.6975      1.00000
     62      -9.6457      1.00000
     63      -9.3518      1.00000
     64      -9.3502      1.00000
     65      -9.3179      1.00000
     66      -9.0267      1.00000
     67      -8.9610      1.00000
     68      -8.9572      1.00000
     69      -8.7744      1.00000
     70      -8.5919      1.00000
     71      -8.5872      1.00000
     72      -8.4228      1.00000
     73      -8.3488      1.00000
     74      -8.3225      1.00000
     75      -8.3018      1.00000
     76      -8.2659      1.00000
     77      -8.2548      1.00000
     78      -8.2395      1.00000
     79      -7.9207      1.00000
     80      -7.7334      1.00000
     81      -7.3782      1.00000
     82      -7.3486      1.00000
     83      -7.3236      1.00000
     84      -7.2163      1.00000
     85      -7.1594      1.00000
     86      -7.0644      1.00000
     87      -6.9598      1.00000
     88      -6.9044      1.00000
     89      -6.6145      1.00000
     90      -6.5553      1.00000
     91      -6.2723      1.00000
     92      -5.9962      1.00000
     93      -5.9590      1.00000
     94      -5.6744      1.00000
     95      -5.6479      1.00000
     96      -5.3873      1.00000
     97      -5.3151      1.00000
     98      -5.2935      1.00000
     99      -5.2114      1.00000
    100      -5.1999      1.00000
    101      -4.5110      1.00000
    102      -4.3378      1.00000
    103      -3.9958      1.00000
    104      -3.8853      1.00000
    105      -3.7924      1.00000
    106      -3.4428      1.00000
    107      -2.0350      0.00000
    108      -1.8645      0.00000
    109      -1.2180      0.00000
    110      -1.1832      0.00000
    111      -1.0364      0.00000
    112      -0.7729      0.00000
    113      -0.6773      0.00000
    114      -0.6605      0.00000
    115      -0.6095      0.00000
    116      -0.1019      0.00000
    117       0.2224      0.00000
    118       0.2396      0.00000
    119       0.7761      0.00000
    120       0.9892      0.00000
    121       1.0746      0.00000
    122       1.2418      0.00000
    123       1.2518      0.00000
    124       1.3462      0.00000
    125       1.5808      0.00000
    126       1.5843      0.00000
    127       1.7160      0.00000
    128       1.7994      0.00000
    129       1.9555      0.00000
    130       1.9787      0.00000
    131       2.0671      0.00000
    132       2.2770      0.00000
    133       2.3422      0.00000
    134       2.4260      0.00000
    135       2.5536      0.00000
    136       2.6341      0.00000
    137       2.7478      0.00000
    138       2.8136      0.00000
    139       2.8512      0.00000
    140       2.8765      0.00000
    141       3.0564      0.00000
    142       3.1087      0.00000
    143       3.1654      0.00000
    144       3.2306      0.00000
    145       3.3773      0.00000
    146       3.4186      0.00000
    147       3.5160      0.00000
    148       3.5658      0.00000
    149       3.5922      0.00000
    150       3.6175      0.00000
    151       3.6596      0.00000
    152       3.7415      0.00000
    153       3.7535      0.00000
    154       3.7747      0.00000
    155       3.7990      0.00000
    156       3.8771      0.00000
    157       4.0239      0.00000
    158       4.0969      0.00000
    159       4.1792      0.00000
    160       4.2230      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0428   -7.3906    4.1985   -1.2759   -0.2386   17.5938    0.1472   -0.5324    0.6339   -0.4650
x    -3.0919   -0.0374   -0.0632    0.0617   -0.0093   -2.9774   -0.0109   -0.0070    0.0049    0.0016
x    -0.0965    0.0016   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0428    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0006   -0.0942   -0.0088    0.0374    0.0377
y    -0.0459   -3.2473   -0.5378   -0.1639   -1.1804   -0.6055
z   204.0428    1.1253   -0.2811    0.0410    0.0089    0.0617    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0775    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1488
z    -0.2819    0.1880   -0.0393    0.0469   -0.1053    0.0013
 total charge-density along one line
x   212.0000  -10.2209    6.1465   -2.0859   -0.4743   19.5107   -0.9961    0.4744   -0.0450   -0.1262
x    -2.6449   -0.0277   -0.0610    0.0845   -0.0533   -2.2246   -0.0249   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2209    6.1465   -2.0859   -0.4743   19.5107   -0.9961    0.4744   -0.0450   -0.1262
y    -2.6449   -0.0277   -0.0610    0.0845   -0.0533   -2.2246   -0.0249   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4885  189.2807 -170.3519  153.6366 -139.4260  125.4209 -110.1017   93.9484  -78.3296
z    64.1178  -51.4653   40.4028  -31.2028   24.1131  -18.9354   15.0239  -11.7106    8.7058   -6.1123
z     4.1245   -2.7550    1.8189   -1.1088    0.5380   -0.1260   -0.1114    0.2279   -0.3098    0.4009
z    -0.4773    0.4931   -0.4392    0.3540   -0.2855    0.2511   -0.2334    0.2086   -0.1707    0.1315
z    -0.1036    0.0880   -0.0768    0.0635   -0.0489    0.0373   -0.0308    0.0276   -0.0242    0.0197
z    -0.0151    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.841   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.024   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.270   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.053   0.000   0.302   0.000   0.029  -0.191  -0.030   0.000   0.095   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.172  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.053   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.270   0.000  -0.311   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.302   0.000   0.037  -0.131   0.000   0.414   0.000   0.077   0.585  -0.238   0.000   0.058   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.069   0.006
 -0.024   0.000   0.029   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.585   0.000   0.164   1.369  -0.419   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.419   0.176   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.095   0.000   0.026  -0.094   0.000   0.058   0.000   0.053   0.283  -0.034   0.000   0.263   0.000   0.000
  0.000  -0.116   0.000   0.172   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.045   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.261   8.029   8.935
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.783   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.781   0.000   2.645
 22        0.864   1.771   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.645
 26        0.864   1.782   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.782   0.000   2.645
 33        0.864   1.782   0.000   2.645
 34        0.864   1.783   0.000   2.646
 35        0.864   1.781   0.000   2.645
 36        0.864   1.771   0.000   2.634
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.783   0.000   2.647
 40        0.863   1.785   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.784   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.867  89.421   8.029 142.317
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  114.34: CPU time   57.64
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  440.73: CPU time  221.68
    STRESS:  VPU time 1327.86: CPU time  666.78
    FORCOR:  VPU time    8.58: CPU time    8.58
    FORHAR:  VPU time    2.26: CPU time    2.26
    MIXING:  VPU time    0.19: CPU time    0.18
 d Force = 0.1962357E-04[ 0.185E-04, 0.207E-04]  d Energy = 0.2152847E-04-0.190E-05
 d Force = 0.5357863E+00[ 0.536E+00, 0.536E+00]  d Ewald  = 0.1666739E+01-0.113E+01


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726469 eV

  energy  without entropy=     -471.726469  energy(sigma->0) =     -471.726469
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40831.97  40787.05 -47530.46    -38.91      0.00      0.00
  Hartree  40256.78  40237.77 -39515.50    -16.47      0.00      0.00
  E(xc)     -779.42   -779.71   -807.36     -0.25      0.00      0.00
  Local   -83372.87 -83317.85  84360.78     47.65      0.00      0.00
  n-local   -216.79   -215.66   -203.38      0.71      0.00      0.00
  augment     20.06     22.05     17.82      1.72      0.00      0.00
  Kinetic   3162.31   3175.92   3583.90      3.44      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.30     -0.24     -0.26      0.05      0.00      0.00
  in kB       -0.18     -0.14     -0.16      0.03      0.00      0.00
  external pressure =       -0.16 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.346206221  0.000739469  0.000000000     0.080993741  0.046755358  0.000000000
    -6.172469354 10.692494040  0.000000000    -0.000005601  0.093520316  0.000000000
     0.000000000  0.000000000 19.982849068     0.000000000  0.000000000  0.050042914

  length of vectors
    12.346206243 12.346206167 19.982849068     0.093520316  0.093520317  0.050042914


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.475E-05 -.490E-04 -.951E+03   0.448E-05 -.278E-04 0.960E+03   -.102E-19 0.988E-24 -.870E+01   -.928E-08 0.110E-08 0.274E-02
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.892E+00 -.253E+01   -.109E-04 0.556E-05 -.765E-03
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.892E+00 -.253E+01   0.109E-04 -.557E-05 -.765E-03
   -.206E+01 0.119E+01 0.162E+02   0.206E+01 -.119E+01 -.162E+02   -.208E-02 0.120E-02 -.241E-01   0.215E-03 -.127E-03 -.107E-04
   0.616E+01 0.687E+01 0.193E+02   -.616E+01 -.689E+01 -.193E+02   0.163E-02 0.195E-01 -.275E-01   -.642E-03 0.881E-03 0.244E-03
   0.112E+02 0.509E+01 0.161E+02   -.112E+02 -.510E+01 -.161E+02   0.216E-01 0.667E-02 -.486E-01   -.334E-03 -.133E-03 0.671E-03
   0.470E+01 -.878E+00 0.126E+02   -.472E+01 0.886E+00 -.126E+02   0.163E-01 -.858E-02 -.173E-01   -.119E-03 0.551E-04 0.917E-03
   -.310E+01 -.252E+01 0.126E+02   0.310E+01 0.251E+01 -.126E+02   0.205E-02 0.164E-02 -.127E-01   0.669E-05 -.326E-04 0.331E-03
   0.629E+00 0.395E+01 0.126E+02   -.625E+00 -.395E+01 -.126E+02   -.399E-03 -.260E-02 -.127E-01   0.260E-04 0.433E-05 0.328E-03
   0.240E+01 0.188E+02 0.240E+02   -.239E+01 -.189E+02 -.240E+02   0.907E-03 0.103E+00 -.483E-01   -.616E-03 -.905E-03 0.883E-03
   0.226E+02 0.214E+02 0.423E+02   -.227E+02 -.216E+02 -.422E+02   0.786E-01 0.260E+00 -.603E-01   0.425E-03 -.423E-03 0.170E-02
   0.268E+02 -.343E+01 0.256E+02   -.271E+02 0.353E+01 -.256E+02   0.269E+00 -.110E+00 -.343E-01   -.736E-03 0.402E-03 0.101E-02
   0.913E+01 -.527E+01 0.136E+02   -.918E+01 0.530E+01 -.135E+02   0.438E-01 -.253E-01 -.131E-01   -.257E-03 0.142E-03 0.955E-04
   0.311E+01 -.363E+01 0.126E+02   -.313E+01 0.364E+01 -.126E+02   0.156E-01 -.985E-02 -.173E-01   -.109E-03 0.713E-04 0.909E-03
   -.593E+01 0.136E+02 0.162E+02   0.593E+01 -.137E+02 -.161E+02   -.712E-03 0.711E-01 -.516E-01   0.126E-03 0.648E-04 0.922E-03
   -.119E+02 0.362E+02 0.479E+02   0.119E+02 -.368E+02 -.482E+02   -.282E-01 0.611E+00 0.296E+00   0.416E-05 -.141E-03 0.145E-02
   0.236E+02 -.136E+02 0.939E+02   -.242E+02 0.140E+02 -.960E+02   0.639E+00 -.369E+00 0.205E+01   -.101E-02 0.580E-03 0.199E-03
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.230E+00 -.178E+00 -.343E-01   -.718E-03 0.429E-03 0.101E-02
   0.117E+01 -.122E+02 0.161E+02   -.117E+01 0.122E+02 -.161E+02   0.502E-02 -.220E-01 -.486E-01   -.485E-04 0.355E-03 0.666E-03
   -.416E+01 0.193E+01 0.116E+02   0.416E+01 -.194E+01 -.116E+02   0.143E-02 0.888E-02 -.434E-01   -.161E-04 0.430E-04 0.425E-03
   -.193E+02 0.111E+02 0.217E+02   0.193E+02 -.112E+02 -.217E+02   -.513E-01 0.296E-01 -.438E-01   -.104E-03 0.637E-04 0.404E-03
   -.373E+02 -.783E+01 0.479E+02   0.378E+02 0.811E+01 -.482E+02   -.543E+00 -.281E+00 0.296E+00   0.127E-03 0.661E-04 0.146E-02
   -.719E+01 -.303E+02 0.423E+02   0.738E+01 0.305E+02 -.422E+02   -.186E+00 -.198E+00 -.603E-01   0.582E-03 -.161E-03 0.170E-02
   -.287E+01 -.877E+01 0.193E+02   0.289E+01 0.878E+01 -.193E+02   -.161E-01 -.112E-01 -.275E-01   -.108E-02 0.113E-03 0.244E-03
   0.138E+01 -.796E+00 0.134E+02   -.138E+01 0.796E+00 -.134E+02   0.238E-02 -.137E-02 -.185E-01   -.479E-04 0.298E-04 0.582E-04
   -.375E+01 0.264E+01 0.116E+02   0.376E+01 -.263E+01 -.116E+02   -.698E-02 -.568E-02 -.434E-01   -.435E-04 -.276E-05 0.429E-03
   -.148E+02 -.168E+01 0.162E+02   0.148E+02 0.171E+01 -.161E+02   -.619E-01 -.349E-01 -.516E-01   0.857E-05 -.143E-03 0.929E-03
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.115E+02 -.240E+02   -.888E-01 -.523E-01 -.483E-01   0.477E-03 0.981E-03 0.886E-03
   0.287E+01 0.877E+01 0.193E+02   -.289E+01 -.878E+01 -.193E+02   0.161E-01 0.112E-01 -.275E-01   0.108E-02 -.113E-03 0.244E-03
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.115E+02 -.240E+02   0.888E-01 0.523E-01 -.483E-01   -.477E-03 -.981E-03 0.886E-03
   0.148E+02 0.168E+01 0.162E+02   -.148E+02 -.171E+01 -.161E+02   0.619E-01 0.349E-01 -.516E-01   -.858E-05 0.143E-03 0.929E-03
   0.375E+01 -.264E+01 0.116E+02   -.376E+01 0.263E+01 -.116E+02   0.698E-02 0.568E-02 -.434E-01   0.435E-04 0.276E-05 0.429E-03
   -.138E+01 0.796E+00 0.134E+02   0.138E+01 -.796E+00 -.134E+02   -.238E-02 0.137E-02 -.185E-01   0.479E-04 -.298E-04 0.582E-04
   -.117E+01 0.122E+02 0.161E+02   0.117E+01 -.122E+02 -.161E+02   -.502E-02 0.220E-01 -.486E-01   0.485E-04 -.355E-03 0.666E-03
   0.719E+01 0.303E+02 0.423E+02   -.738E+01 -.305E+02 -.422E+02   0.186E+00 0.198E+00 -.603E-01   -.582E-03 0.161E-03 0.170E-02
   0.373E+02 0.783E+01 0.479E+02   -.378E+02 -.811E+01 -.482E+02   0.543E+00 0.281E+00 0.296E+00   -.127E-03 -.661E-04 0.146E-02
   0.193E+02 -.111E+02 0.217E+02   -.193E+02 0.112E+02 -.217E+02   0.513E-01 -.296E-01 -.438E-01   0.104E-03 -.637E-04 0.404E-03
   0.416E+01 -.193E+01 0.116E+02   -.416E+01 0.194E+01 -.116E+02   -.143E-02 -.888E-02 -.434E-01   0.161E-04 -.430E-04 0.425E-03
   -.311E+01 0.363E+01 0.126E+02   0.313E+01 -.364E+01 -.126E+02   -.156E-01 0.985E-02 -.173E-01   0.109E-03 -.713E-04 0.909E-03
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.230E+00 0.178E+00 -.343E-01   0.718E-03 -.429E-03 0.101E-02
   -.236E+02 0.136E+02 0.939E+02   0.242E+02 -.140E+02 -.960E+02   -.639E+00 0.369E+00 0.205E+01   0.101E-02 -.580E-03 0.199E-03
   0.119E+02 -.362E+02 0.479E+02   -.119E+02 0.368E+02 -.482E+02   0.282E-01 -.611E+00 0.296E+00   -.416E-05 0.141E-03 0.145E-02
   0.593E+01 -.136E+02 0.162E+02   -.593E+01 0.137E+02 -.161E+02   0.712E-03 -.711E-01 -.516E-01   -.126E-03 -.648E-04 0.922E-03
   -.629E+00 -.395E+01 0.126E+02   0.625E+00 0.395E+01 -.126E+02   0.399E-03 0.260E-02 -.127E-01   -.260E-04 -.433E-05 0.328E-03
   -.913E+01 0.527E+01 0.136E+02   0.918E+01 -.530E+01 -.135E+02   -.438E-01 0.253E-01 -.131E-01   0.257E-03 -.142E-03 0.955E-04
   -.268E+02 0.343E+01 0.256E+02   0.271E+02 -.353E+01 -.256E+02   -.269E+00 0.110E+00 -.343E-01   0.736E-03 -.402E-03 0.101E-02
   -.226E+02 -.214E+02 0.423E+02   0.227E+02 0.216E+02 -.422E+02   -.786E-01 -.260E+00 -.603E-01   -.425E-03 0.423E-03 0.170E-02
   -.240E+01 -.188E+02 0.240E+02   0.239E+01 0.189E+02 -.240E+02   -.907E-03 -.103E+00 -.483E-01   0.616E-03 0.905E-03 0.883E-03
   0.206E+01 -.119E+01 0.162E+02   -.206E+01 0.119E+01 -.162E+02   0.208E-02 -.120E-02 -.241E-01   -.215E-03 0.127E-03 -.107E-04
   0.310E+01 0.252E+01 0.126E+02   -.310E+01 -.251E+01 -.126E+02   -.205E-02 -.164E-02 -.127E-01   -.668E-05 0.326E-04 0.331E-03
   -.470E+01 0.878E+00 0.126E+02   0.472E+01 -.886E+00 -.126E+02   -.163E-01 0.858E-02 -.173E-01   0.119E-03 -.551E-04 0.917E-03
   -.112E+02 -.509E+01 0.161E+02   0.112E+02 0.510E+01 -.161E+02   -.216E-01 -.667E-02 -.486E-01   0.334E-03 0.133E-03 0.671E-03
   -.616E+01 -.687E+01 0.193E+02   0.616E+01 0.689E+01 -.193E+02   -.163E-02 -.195E-01 -.275E-01   0.642E-03 -.881E-03 0.244E-03
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.293E-03 0.100E+02   -.444E-13 0.163E-12 -.448E-12   0.358E-15 -.520E-16 -.101E+02   -.155E-07 0.682E-08 0.370E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85229      6.05940     12.26368         0.000000      0.000000      0.008305
      1.07509      6.50812     13.52283        -0.000001      0.000000      0.012652
      2.62949      5.61068     13.52283         0.000001      0.000000      0.012652
      0.00011     -0.00006      9.90908         0.001083     -0.000625      0.000300
     -1.23484      2.13709      9.90772         0.001617     -0.004353     -0.000164
     -2.47019      4.27675      9.92765         0.003070     -0.001137     -0.000939
     -3.70397      6.41561      9.93531         0.002135     -0.001169     -0.000608
     -4.93783      8.55401      9.92595         0.003890     -0.001429     -0.000200
      2.46930      0.00002      9.92595         0.003183     -0.002654     -0.000200
      1.23395      2.13684      9.91717         0.005221      0.001228     -0.000981
     -0.00265      4.27118      9.92957         0.000587     -0.003170     -0.001973
     -1.23842      6.41623      9.95177         0.001161     -0.001711     -0.001436
     -2.46912      8.55437      9.93732         0.001756     -0.001014     -0.000152
      4.93814      0.00066      9.93531         0.002080     -0.001264     -0.000608
      3.70441      2.13690      9.93861         0.001277     -0.000380     -0.001179
      2.47001      4.26885      9.96611         0.004182     -0.001837     -0.000850
      1.22912      6.41919      9.97258         0.005819     -0.003359      0.000854
     -0.00209      8.55761      9.95177         0.002062     -0.000150     -0.001436
      7.40734      0.00160      9.92765         0.002519     -0.002090     -0.000939
      6.17293      2.13902      9.93398         0.003096     -0.001769     -0.000249
      4.93937      4.27708      9.94677         0.000335     -0.000193     -0.000524
      3.71182      6.41972      9.96611         0.003682     -0.002704     -0.000850
      2.47346      8.55994      9.92957         0.003039      0.001077     -0.001973
      9.87801      0.00160      9.90772         0.004578      0.000776     -0.000164
      8.64232      2.13918      9.91893         0.002582     -0.001491     -0.000124
      7.40776      4.27782      9.93398         0.003080     -0.001797     -0.000249
      6.17533      6.41668      9.93861         0.000968     -0.000916     -0.001179
      4.94015      8.55618      9.91717         0.001547     -0.005135     -0.000981
     -0.00096      1.42471      9.90772        -0.004578     -0.000776     -0.000164
     -1.23557      3.56262      9.91717        -0.001547      0.005135     -0.000981
     -2.47075      5.70213      9.93861        -0.000968      0.000916     -0.001179
     -3.70318      7.84099      9.93398        -0.003080      0.001797     -0.000249
     -4.93774      9.97962      9.91893        -0.002582      0.001491     -0.000124
      2.46971      1.42470      9.92765        -0.002519      0.002090     -0.000939
      1.23112      3.55886      9.92957        -0.003039     -0.001077     -0.001973
     -0.00724      5.69909      9.96611        -0.003682      0.002704     -0.000850
     -1.23479      7.84172      9.94677        -0.000335      0.000193     -0.000524
     -2.46834      9.97978      9.93398        -0.003096      0.001769     -0.000249
      4.93891      1.42564      9.93531        -0.002080      0.001264     -0.000608
      3.70667      3.56119      9.95177        -0.002062      0.000150     -0.001436
      2.47546      5.69961      9.97258        -0.005819      0.003359      0.000854
      1.23457      7.84995      9.96611        -0.004182      0.001837     -0.000850
      0.00018      9.98190      9.93861        -0.001277      0.000380     -0.001179
      7.40775      1.42629      9.92595        -0.003183      0.002654     -0.000200
      6.17370      3.56444      9.93732        -0.001756      0.001014     -0.000152
      4.94300      5.70257      9.95177        -0.001161      0.001711     -0.001436
      3.70723      7.84762      9.92957        -0.000587      0.003170     -0.001973
      2.47063      9.98196      9.91717        -0.005221     -0.001228     -0.000981
      9.87694      1.42637      9.90908        -0.001083      0.000625      0.000300
      8.64241      3.56479      9.92595        -0.003890      0.001429     -0.000200
      7.40855      5.70319      9.93531        -0.002135      0.001169     -0.000608
      6.17477      7.84205      9.92765        -0.003070      0.001137     -0.000939
      4.93942      9.98171      9.90772        -0.001617      0.004353     -0.000164
 -----------------------------------------------------------------------------------
    total drift:                               -0.001807      0.000293      0.013606


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  VPU time    1.93: CPU time    1.93
    FEWALD:  VPU time    0.02: CPU time    0.01
    GENKIN:  VPU time    1.35: CPU time    1.36
    ORTHCH:  VPU time  183.51: CPU time   91.84
     LOOP+:  VPU time 5210.07: CPU time 2676.08


----------------------------------------- Iteration   48(   1)  ---------------------------------------


    POTLOK:  VPU time    9.15: CPU time    9.00
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1750.93: CPU time  900.41
 BZINTS: Fermi energy: -3.206418;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.06: CPU time   57.01
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 1873.72: CPU time  966.95

 eigenvalue-minimisations  :  5664
 total energy-change (2. order) :-0.4717265E+03  (-0.4949206E-03)
 number of electron  212.0000059 magnetization    0.0000000
 augmentation part     7.9569368 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.14019E-02    rms(broyden)= 0.14014E-02
  rms(prec ) = 0.15032E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34085.24414610
  -1/2 Hartree   DENC   =    -40976.12887503
  -V(xc)+E(xc)   XCENC  =       726.56209190
  PAW double counting   =      4093.38784983    -4131.73116992
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.50039829
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72650181 eV

  energy without entropy =     -471.72650181  energy(sigma->0) =     -471.72650181


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   48(   2)  ---------------------------------------


    POTLOK:  VPU time    8.99: CPU time    8.99
    SETDIJ:  VPU time    0.34: CPU time    0.34
    EDDAV :  VPU time 1436.31: CPU time  743.69
 BZINTS: Fermi energy: -3.206843;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1445.70: CPU time  753.05

 eigenvalue-minimisations  :  4320
 total energy-change (2. order) :-0.2133924E-05  (-0.7819196E-05)
 number of electron  212.0000059 magnetization    0.0000000
 augmentation part     7.9569368 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        93.93274340
  Ewald energy   TEWEN  =     34085.24414610
  -1/2 Hartree   DENC   =    -40976.02965496
  -V(xc)+E(xc)   XCENC  =       726.55952772
  PAW double counting   =      4093.28160402    -4131.62386011
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2474.59812031
  atomic energy  EATOM  =      8111.50711021
  ---------------------------------------------------
  free energy    TOTEN  =      -471.72650394 eV

  energy without entropy =     -471.72650394  energy(sigma->0) =     -471.72650394


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.5201  0.6991
  (the norm of the test charge is              1.0000)
       1 -58.2167       2 -39.5368       3 -39.5369       4 -58.3139       5 -58.3178
       6 -58.3203       7 -58.3148       8 -58.3152       9 -58.3152      10 -58.3216
      11 -58.3878      12 -58.3517      13 -58.3232      14 -58.3148      15 -58.3246
      16 -58.5424      17 -58.7292      18 -58.3517      19 -58.3203      20 -58.3200
      21 -58.3578      22 -58.5424      23 -58.3878      24 -58.3178      25 -58.3231
      26 -58.3200      27 -58.3246      28 -58.3216      29 -58.3177      30 -58.3215
      31 -58.3245      32 -58.3199      33 -58.3230      34 -58.3202      35 -58.3877
      36 -58.5423      37 -58.3577      38 -58.3199      39 -58.3147      40 -58.3516
      41 -58.7291      42 -58.5423      43 -58.3245      44 -58.3151      45 -58.3231
      46 -58.3516      47 -58.3877      48 -58.3215      49 -58.3138      50 -58.3151
      51 -58.3147      52 -58.3202      53 -58.3177
 
 
 
 E-fermi :  -3.2068     XC(G=0):  -2.3394     alpha+bet : -1.9994
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4246      1.00000
      2     -21.6013      1.00000
      3     -21.4798      1.00000
      4     -21.4709      1.00000
      5     -21.4393      1.00000
      6     -21.4385      1.00000
      7     -21.4283      1.00000
      8     -19.7057      1.00000
      9     -19.6511      1.00000
     10     -19.6279      1.00000
     11     -19.6170      1.00000
     12     -19.6116      1.00000
     13     -19.6105      1.00000
     14     -18.7883      1.00000
     15     -18.7531      1.00000
     16     -18.7334      1.00000
     17     -18.7241      1.00000
     18     -18.7168      1.00000
     19     -18.7116      1.00000
     20     -16.6335      1.00000
     21     -16.6081      1.00000
     22     -16.5837      1.00000
     23     -16.5803      1.00000
     24     -16.5534      1.00000
     25     -16.5515      1.00000
     26     -15.6128      1.00000
     27     -15.6010      1.00000
     28     -15.5976      1.00000
     29     -15.5633      1.00000
     30     -15.5616      1.00000
     31     -15.5598      1.00000
     32     -14.2583      1.00000
     33     -14.2492      1.00000
     34     -14.2395      1.00000
     35     -14.2346      1.00000
     36     -14.2211      1.00000
     37     -14.2183      1.00000
     38     -11.9046      1.00000
     39     -11.8781      1.00000
     40     -11.8673      1.00000
     41     -11.8643      1.00000
     42     -11.8439      1.00000
     43     -11.8436      1.00000
     44     -11.7697      1.00000
     45     -11.7672      1.00000
     46     -11.7341      1.00000
     47     -11.7277      1.00000
     48     -11.7238      1.00000
     49     -11.7208      1.00000
     50     -10.6739      1.00000
     51     -10.3869      1.00000
     52     -10.3826      1.00000
     53     -10.3755      1.00000
     54     -10.3670      1.00000
     55     -10.3545      1.00000
     56     -10.3524      1.00000
     57      -9.9017      1.00000
     58      -9.4488      1.00000
     59      -9.4040      1.00000
     60      -9.3609      1.00000
     61      -9.3604      1.00000
     62      -9.3525      1.00000
     63      -9.1410      1.00000
     64      -9.1213      1.00000
     65      -9.1199      1.00000
     66      -9.0843      1.00000
     67      -9.0707      1.00000
     68      -9.0697      1.00000
     69      -9.0695      1.00000
     70      -9.0633      1.00000
     71      -9.0632      1.00000
     72      -9.0376      1.00000
     73      -9.0279      1.00000
     74      -9.0252      1.00000
     75      -8.1287      1.00000
     76      -7.7438      1.00000
     77      -7.4685      1.00000
     78      -7.4654      1.00000
     79      -7.4528      1.00000
     80      -7.4335      1.00000
     81      -7.4237      1.00000
     82      -7.4055      1.00000
     83      -7.3113      1.00000
     84      -7.2698      1.00000
     85      -7.2561      1.00000
     86      -7.2476      1.00000
     87      -7.1499      1.00000
     88      -7.0487      1.00000
     89      -6.4452      1.00000
     90      -6.4146      1.00000
     91      -6.3991      1.00000
     92      -6.3627      1.00000
     93      -6.3520      1.00000
     94      -6.3400      1.00000
     95      -5.9588      1.00000
     96      -5.9570      1.00000
     97      -4.8047      1.00000
     98      -4.5430      1.00000
     99      -4.4810      1.00000
    100      -4.4732      1.00000
    101      -4.3819      1.00000
    102      -4.3810      1.00000
    103      -4.2668      1.00000
    104      -4.1863      1.00000
    105      -3.7388      1.00000
    106      -3.4765      1.00000
    107      -1.8620      0.00000
    108      -1.6705      0.00000
    109      -1.6238      0.00000
    110      -1.5916      0.00000
    111      -1.5757      0.00000
    112      -1.5750      0.00000
    113      -0.4294      0.00000
    114       0.1457      0.00000
    115       0.1916      0.00000
    116       0.2550      0.00000
    117       0.2674      0.00000
    118       0.2708      0.00000
    119       0.4760      0.00000
    120       0.5547      0.00000
    121       1.2555      0.00000
    122       1.2912      0.00000
    123       1.5464      0.00000
    124       1.7777      0.00000
    125       1.7794      0.00000
    126       1.7813      0.00000
    127       1.7820      0.00000
    128       1.8318      0.00000
    129       1.9573      0.00000
    130       1.9710      0.00000
    131       1.9739      0.00000
    132       1.9881      0.00000
    133       1.9955      0.00000
    134       2.0846      0.00000
    135       2.2619      0.00000
    136       2.3429      0.00000
    137       2.6287      0.00000
    138       2.6301      0.00000
    139       2.6596      0.00000
    140       2.7245      0.00000
    141       2.9437      0.00000
    142       3.0323      0.00000
    143       3.0438      0.00000
    144       3.0753      0.00000
    145       3.0771      0.00000
    146       3.0811      0.00000
    147       3.1000      0.00000
    148       3.2854      0.00000
    149       3.4516      0.00000
    150       3.5192      0.00000
    151       3.8248      0.00000
    152       3.9630      0.00000
    153       3.9752      0.00000
    154       3.9790      0.00000
    155       3.9858      0.00000
    156       4.0030      0.00000
    157       4.1905      0.00000
    158       4.2656      0.00000
    159       4.2762      0.00000
    160       4.2873      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3879      1.00000
      2     -21.8288      1.00000
      3     -21.6366      1.00000
      4     -21.6089      1.00000
      5     -21.2730      1.00000
      6     -21.2338      1.00000
      7     -21.0554      1.00000
      8     -20.1661      1.00000
      9     -20.1280      1.00000
     10     -19.6071      1.00000
     11     -19.5961      1.00000
     12     -19.4158      1.00000
     13     -19.0881      1.00000
     14     -19.0588      1.00000
     15     -19.0476      1.00000
     16     -19.0399      1.00000
     17     -18.3594      1.00000
     18     -18.3509      1.00000
     19     -18.0178      1.00000
     20     -17.0679      1.00000
     21     -17.0293      1.00000
     22     -16.9428      1.00000
     23     -16.9390      1.00000
     24     -16.4668      1.00000
     25     -16.4623      1.00000
     26     -15.6123      1.00000
     27     -15.6062      1.00000
     28     -15.2511      1.00000
     29     -15.2423      1.00000
     30     -15.1836      1.00000
     31     -15.0969      1.00000
     32     -15.0699      1.00000
     33     -14.6972      1.00000
     34     -14.6952      1.00000
     35     -13.7253      1.00000
     36     -13.7227      1.00000
     37     -13.2348      1.00000
     38     -12.6135      1.00000
     39     -12.5833      1.00000
     40     -12.4529      1.00000
     41     -12.4492      1.00000
     42     -12.1083      1.00000
     43     -12.1036      1.00000
     44     -11.7157      1.00000
     45     -11.6849      1.00000
     46     -11.2342      1.00000
     47     -11.2255      1.00000
     48     -11.0166      1.00000
     49     -11.0086      1.00000
     50     -10.9250      1.00000
     51     -10.9039      1.00000
     52     -10.6288      1.00000
     53     -10.1541      1.00000
     54     -10.1498      1.00000
     55     -10.0912      1.00000
     56      -9.9966      1.00000
     57      -9.7012      1.00000
     58      -9.6942      1.00000
     59      -9.6544      1.00000
     60      -9.5908      1.00000
     61      -9.5756      1.00000
     62      -9.5578      1.00000
     63      -9.3062      1.00000
     64      -9.3023      1.00000
     65      -9.2726      1.00000
     66      -9.2353      1.00000
     67      -9.1352      1.00000
     68      -9.1145      1.00000
     69      -9.1101      1.00000
     70      -8.9383      1.00000
     71      -8.8709      1.00000
     72      -8.6034      1.00000
     73      -8.5901      1.00000
     74      -8.2350      1.00000
     75      -8.1002      1.00000
     76      -7.9117      1.00000
     77      -7.8627      1.00000
     78      -7.7712      1.00000
     79      -7.7559      1.00000
     80      -7.6911      1.00000
     81      -7.5592      1.00000
     82      -7.3386      1.00000
     83      -7.3220      1.00000
     84      -7.2034      1.00000
     85      -7.1224      1.00000
     86      -7.0312      1.00000
     87      -7.0113      1.00000
     88      -6.7033      1.00000
     89      -6.6770      1.00000
     90      -6.6400      1.00000
     91      -6.5972      1.00000
     92      -6.1160      1.00000
     93      -6.0612      1.00000
     94      -6.0302      1.00000
     95      -6.0108      1.00000
     96      -5.7822      1.00000
     97      -4.9730      1.00000
     98      -4.8313      1.00000
     99      -4.7462      1.00000
    100      -4.6786      1.00000
    101      -4.4676      1.00000
    102      -4.2024      1.00000
    103      -4.1714      1.00000
    104      -4.1272      1.00000
    105      -3.7291      1.00000
    106      -3.4866      1.00000
    107      -1.8703      0.00000
    108      -1.8086      0.00000
    109      -1.5245      0.00000
    110      -1.3771      0.00000
    111      -1.3218      0.00000
    112      -1.2882      0.00000
    113      -0.7203      0.00000
    114      -0.3764      0.00000
    115      -0.2499      0.00000
    116       0.0360      0.00000
    117       0.5608      0.00000
    118       0.6994      0.00000
    119       0.7462      0.00000
    120       1.0481      0.00000
    121       1.0989      0.00000
    122       1.1527      0.00000
    123       1.2279      0.00000
    124       1.3837      0.00000
    125       1.5289      0.00000
    126       1.5950      0.00000
    127       1.7191      0.00000
    128       1.8041      0.00000
    129       1.8566      0.00000
    130       1.8821      0.00000
    131       2.0985      0.00000
    132       2.1973      0.00000
    133       2.2455      0.00000
    134       2.3170      0.00000
    135       2.5227      0.00000
    136       2.6033      0.00000
    137       2.6244      0.00000
    138       2.7847      0.00000
    139       2.7978      0.00000
    140       2.8256      0.00000
    141       2.8400      0.00000
    142       2.9052      0.00000
    143       2.9356      0.00000
    144       3.0978      0.00000
    145       3.1651      0.00000
    146       3.3241      0.00000
    147       3.3642      0.00000
    148       3.4114      0.00000
    149       3.4759      0.00000
    150       3.6166      0.00000
    151       3.6460      0.00000
    152       3.6730      0.00000
    153       3.7197      0.00000
    154       3.9236      0.00000
    155       3.9649      0.00000
    156       4.0240      0.00000
    157       4.0701      0.00000
    158       4.2506      0.00000
    159       4.2607      0.00000
    160       4.2821      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2819      1.00000
      2     -22.0764      1.00000
      3     -21.7150      1.00000
      4     -21.6833      1.00000
      5     -20.9778      1.00000
      6     -20.9374      1.00000
      7     -20.6103      1.00000
      8     -20.5737      1.00000
      9     -20.5675      1.00000
     10     -20.0312      1.00000
     11     -19.5019      1.00000
     12     -19.4902      1.00000
     13     -19.3055      1.00000
     14     -19.3002      1.00000
     15     -18.4463      1.00000
     16     -18.4097      1.00000
     17     -17.9210      1.00000
     18     -17.9117      1.00000
     19     -17.7603      1.00000
     20     -17.7246      1.00000
     21     -17.4347      1.00000
     22     -17.4274      1.00000
     23     -17.3397      1.00000
     24     -16.4618      1.00000
     25     -16.4607      1.00000
     26     -15.9657      1.00000
     27     -15.4127      1.00000
     28     -15.4077      1.00000
     29     -15.0951      1.00000
     30     -15.0920      1.00000
     31     -14.8539      1.00000
     32     -14.8462      1.00000
     33     -14.2894      1.00000
     34     -14.2565      1.00000
     35     -13.4359      1.00000
     36     -13.4033      1.00000
     37     -13.1764      1.00000
     38     -13.1729      1.00000
     39     -12.9803      1.00000
     40     -12.9754      1.00000
     41     -12.6120      1.00000
     42     -12.6086      1.00000
     43     -12.1969      1.00000
     44     -11.5750      1.00000
     45     -11.5413      1.00000
     46     -11.3091      1.00000
     47     -11.2864      1.00000
     48     -11.1413      1.00000
     49     -10.6752      1.00000
     50     -10.6600      1.00000
     51     -10.5509      1.00000
     52     -10.3225      1.00000
     53     -10.3164      1.00000
     54     -10.1677      1.00000
     55     -10.1147      1.00000
     56     -10.1118      1.00000
     57      -9.7966      1.00000
     58      -9.7641      1.00000
     59      -9.7507      1.00000
     60      -9.6986      1.00000
     61      -9.6964      1.00000
     62      -9.6605      1.00000
     63      -9.3537      1.00000
     64      -9.3502      1.00000
     65      -9.3142      1.00000
     66      -9.0394      1.00000
     67      -8.9616      1.00000
     68      -8.9480      1.00000
     69      -8.7980      1.00000
     70      -8.5936      1.00000
     71      -8.5562      1.00000
     72      -8.3969      1.00000
     73      -8.3635      1.00000
     74      -8.3234      1.00000
     75      -8.3061      1.00000
     76      -8.2579      1.00000
     77      -8.2565      1.00000
     78      -8.2352      1.00000
     79      -7.9037      1.00000
     80      -7.6500      1.00000
     81      -7.5480      1.00000
     82      -7.3862      1.00000
     83      -7.3488      1.00000
     84      -7.2308      1.00000
     85      -7.0956      1.00000
     86      -7.0378      1.00000
     87      -6.9329      1.00000
     88      -6.8477      1.00000
     89      -6.6116      1.00000
     90      -6.5587      1.00000
     91      -6.2688      1.00000
     92      -6.0426      1.00000
     93      -5.9506      1.00000
     94      -5.6616      1.00000
     95      -5.6221      1.00000
     96      -5.4619      1.00000
     97      -5.3188      1.00000
     98      -5.2780      1.00000
     99      -5.2128      1.00000
    100      -5.1934      1.00000
    101      -4.5071      1.00000
    102      -4.2065      1.00000
    103      -4.0582      1.00000
    104      -3.9887      1.00000
    105      -3.6940      1.00000
    106      -3.4968      1.00000
    107      -1.9459      0.00000
    108      -1.8963      0.00000
    109      -1.3389      0.00000
    110      -1.0851      0.00000
    111      -1.0579      0.00000
    112      -0.8007      0.00000
    113      -0.6774      0.00000
    114      -0.6472      0.00000
    115      -0.6076      0.00000
    116      -0.1089      0.00000
    117       0.2149      0.00000
    118       0.3281      0.00000
    119       0.6999      0.00000
    120       0.8920      0.00000
    121       1.1281      0.00000
    122       1.1990      0.00000
    123       1.3316      0.00000
    124       1.4274      0.00000
    125       1.5563      0.00000
    126       1.5770      0.00000
    127       1.6910      0.00000
    128       1.8104      0.00000
    129       1.8879      0.00000
    130       2.0616      0.00000
    131       2.1126      0.00000
    132       2.3120      0.00000
    133       2.3542      0.00000
    134       2.4080      0.00000
    135       2.5588      0.00000
    136       2.6358      0.00000
    137       2.7359      0.00000
    138       2.7387      0.00000
    139       2.8094      0.00000
    140       2.8897      0.00000
    141       3.0557      0.00000
    142       3.0663      0.00000
    143       3.1753      0.00000
    144       3.2721      0.00000
    145       3.3674      0.00000
    146       3.4226      0.00000
    147       3.4433      0.00000
    148       3.5699      0.00000
    149       3.5883      0.00000
    150       3.6118      0.00000
    151       3.6623      0.00000
    152       3.6814      0.00000
    153       3.7781      0.00000
    154       3.7902      0.00000
    155       3.8093      0.00000
    156       3.8943      0.00000
    157       3.9326      0.00000
    158       3.9975      0.00000
    159       4.2232      0.00000
    160       4.2293      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3159      1.00000
      2     -21.9612      1.00000
      3     -21.8921      1.00000
      4     -21.3794      1.00000
      5     -21.3502      1.00000
      6     -20.8382      1.00000
      7     -20.7730      1.00000
      8     -20.6226      1.00000
      9     -20.0761      1.00000
     10     -20.0706      1.00000
     11     -19.7154      1.00000
     12     -19.6909      1.00000
     13     -18.9950      1.00000
     14     -18.9894      1.00000
     15     -18.6393      1.00000
     16     -18.6235      1.00000
     17     -18.4608      1.00000
     18     -17.6740      1.00000
     19     -17.6237      1.00000
     20     -17.6209      1.00000
     21     -17.5790      1.00000
     22     -17.1254      1.00000
     23     -17.1039      1.00000
     24     -16.9613      1.00000
     25     -16.0011      1.00000
     26     -15.9276      1.00000
     27     -15.5845      1.00000
     28     -15.5843      1.00000
     29     -15.2854      1.00000
     30     -14.8631      1.00000
     31     -14.8359      1.00000
     32     -14.5780      1.00000
     33     -14.5361      1.00000
     34     -14.1672      1.00000
     35     -14.1537      1.00000
     36     -13.1477      1.00000
     37     -13.0992      1.00000
     38     -13.0287      1.00000
     39     -13.0186      1.00000
     40     -12.7081      1.00000
     41     -12.7042      1.00000
     42     -12.3400      1.00000
     43     -12.3088      1.00000
     44     -11.6348      1.00000
     45     -11.6212      1.00000
     46     -11.5703      1.00000
     47     -10.9481      1.00000
     48     -10.9151      1.00000
     49     -10.6313      1.00000
     50     -10.6241      1.00000
     51     -10.5459      1.00000
     52     -10.4984      1.00000
     53     -10.4982      1.00000
     54     -10.4396      1.00000
     55     -10.3596      1.00000
     56     -10.0977      1.00000
     57      -9.9020      1.00000
     58      -9.6079      1.00000
     59      -9.5555      1.00000
     60      -9.4511      1.00000
     61      -9.4109      1.00000
     62      -9.4040      1.00000
     63      -9.3765      1.00000
     64      -9.3763      1.00000
     65      -9.2859      1.00000
     66      -9.1674      1.00000
     67      -9.1422      1.00000
     68      -9.1131      1.00000
     69      -8.8635      1.00000
     70      -8.8561      1.00000
     71      -8.8137      1.00000
     72      -8.5956      1.00000
     73      -8.4786      1.00000
     74      -8.1976      1.00000
     75      -8.1623      1.00000
     76      -8.0078      1.00000
     77      -7.9620      1.00000
     78      -7.8506      1.00000
     79      -7.8399      1.00000
     80      -7.7037      1.00000
     81      -7.6965      1.00000
     82      -7.6214      1.00000
     83      -7.4476      1.00000
     84      -7.2999      1.00000
     85      -7.2523      1.00000
     86      -6.9057      1.00000
     87      -6.8919      1.00000
     88      -6.5877      1.00000
     89      -6.5504      1.00000
     90      -6.4067      1.00000
     91      -6.2528      1.00000
     92      -6.2323      1.00000
     93      -6.2040      1.00000
     94      -6.0218      1.00000
     95      -5.5488      1.00000
     96      -5.4878      1.00000
     97      -5.3491      1.00000
     98      -5.2187      1.00000
     99      -4.9791      1.00000
    100      -4.7316      1.00000
    101      -4.6772      1.00000
    102      -4.3865      1.00000
    103      -4.2019      1.00000
    104      -3.8699      1.00000
    105      -3.5466      1.00000
    106      -3.5087      1.00000
    107      -2.2558      0.00000
    108      -1.4564      0.00000
    109      -1.3708      0.00000
    110      -1.2418      0.00000
    111      -1.0981      0.00000
    112      -0.9454      0.00000
    113      -0.8642      0.00000
    114      -0.8038      0.00000
    115      -0.1402      0.00000
    116       0.1111      0.00000
    117       0.2405      0.00000
    118       0.3767      0.00000
    119       0.6579      0.00000
    120       0.8357      0.00000
    121       0.9362      0.00000
    122       1.0680      0.00000
    123       1.2400      0.00000
    124       1.4508      0.00000
    125       1.5651      0.00000
    126       1.7659      0.00000
    127       1.7928      0.00000
    128       1.8685      0.00000
    129       1.9838      0.00000
    130       2.0442      0.00000
    131       2.1882      0.00000
    132       2.1882      0.00000
    133       2.4215      0.00000
    134       2.4374      0.00000
    135       2.5124      0.00000
    136       2.6039      0.00000
    137       2.6348      0.00000
    138       2.7033      0.00000
    139       2.7885      0.00000
    140       2.8463      0.00000
    141       2.9623      0.00000
    142       3.0935      0.00000
    143       3.1913      0.00000
    144       3.2109      0.00000
    145       3.2443      0.00000
    146       3.3314      0.00000
    147       3.3423      0.00000
    148       3.4740      0.00000
    149       3.5130      0.00000
    150       3.6987      0.00000
    151       3.7195      0.00000
    152       3.7292      0.00000
    153       3.8643      0.00000
    154       3.9101      0.00000
    155       3.9576      0.00000
    156       3.9815      0.00000
    157       4.0019      0.00000
    158       4.0352      0.00000
    159       4.0573      0.00000
    160       4.0719      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2088      1.00000
      2     -22.1160      1.00000
      3     -21.9553      1.00000
      4     -21.4029      1.00000
      5     -21.0483      1.00000
      6     -21.0125      1.00000
      7     -20.4992      1.00000
      8     -20.4599      1.00000
      9     -20.2935      1.00000
     10     -20.2743      1.00000
     11     -19.9561      1.00000
     12     -19.8905      1.00000
     13     -18.8812      1.00000
     14     -18.8126      1.00000
     15     -18.3516      1.00000
     16     -18.3055      1.00000
     17     -18.1518      1.00000
     18     -18.1347      1.00000
     19     -17.8255      1.00000
     20     -17.7881      1.00000
     21     -17.2507      1.00000
     22     -17.2409      1.00000
     23     -17.1637      1.00000
     24     -17.1319      1.00000
     25     -16.1088      1.00000
     26     -15.8840      1.00000
     27     -15.8690      1.00000
     28     -15.8333      1.00000
     29     -15.2356      1.00000
     30     -14.5540      1.00000
     31     -14.5262      1.00000
     32     -14.2793      1.00000
     33     -13.9630      1.00000
     34     -13.9555      1.00000
     35     -13.8196      1.00000
     36     -13.8039      1.00000
     37     -13.6136      1.00000
     38     -13.5699      1.00000
     39     -13.3684      1.00000
     40     -12.6332      1.00000
     41     -12.1800      1.00000
     42     -12.1322      1.00000
     43     -12.0706      1.00000
     44     -12.0185      1.00000
     45     -11.6691      1.00000
     46     -11.6556      1.00000
     47     -11.1381      1.00000
     48     -11.1178      1.00000
     49     -10.7934      1.00000
     50     -10.7300      1.00000
     51     -10.5264      1.00000
     52     -10.2080      1.00000
     53     -10.2045      1.00000
     54     -10.1632      1.00000
     55     -10.0170      1.00000
     56     -10.0030      1.00000
     57      -9.9896      1.00000
     58      -9.8004      1.00000
     59      -9.7968      1.00000
     60      -9.7618      1.00000
     61      -9.7571      1.00000
     62      -9.4535      1.00000
     63      -9.4158      1.00000
     64      -9.0792      1.00000
     65      -9.0718      1.00000
     66      -9.0399      1.00000
     67      -8.9545      1.00000
     68      -8.8759      1.00000
     69      -8.7115      1.00000
     70      -8.6992      1.00000
     71      -8.5648      1.00000
     72      -8.5421      1.00000
     73      -8.4980      1.00000
     74      -8.4623      1.00000
     75      -8.4519      1.00000
     76      -8.2590      1.00000
     77      -8.1242      1.00000
     78      -8.0421      1.00000
     79      -7.9153      1.00000
     80      -7.8618      1.00000
     81      -7.6137      1.00000
     82      -7.5478      1.00000
     83      -7.4895      1.00000
     84      -7.2674      1.00000
     85      -6.9952      1.00000
     86      -6.9230      1.00000
     87      -6.8821      1.00000
     88      -6.5317      1.00000
     89      -6.4863      1.00000
     90      -6.4604      1.00000
     91      -6.4094      1.00000
     92      -5.9827      1.00000
     93      -5.8964      1.00000
     94      -5.7835      1.00000
     95      -5.7589      1.00000
     96      -5.4308      1.00000
     97      -5.3284      1.00000
     98      -5.2293      1.00000
     99      -5.2167      1.00000
    100      -5.1880      1.00000
    101      -4.6913      1.00000
    102      -4.4205      1.00000
    103      -4.2083      1.00000
    104      -3.8331      1.00000
    105      -3.5278      1.00000
    106      -3.2742      1.00000
    107      -2.5309      0.00000
    108      -1.4580      0.00000
    109      -1.2665      0.00000
    110      -1.2029      0.00000
    111      -1.1724      0.00000
    112      -0.7200      0.00000
    113      -0.5039      0.00000
    114      -0.4124      0.00000
    115      -0.3395      0.00000
    116      -0.1465      0.00000
    117      -0.0034      0.00000
    118       0.1930      0.00000
    119       0.5611      0.00000
    120       0.6123      0.00000
    121       0.8014      0.00000
    122       0.9124      0.00000
    123       1.1386      0.00000
    124       1.5025      0.00000
    125       1.6412      0.00000
    126       1.8686      0.00000
    127       1.9359      0.00000
    128       2.1140      0.00000
    129       2.1259      0.00000
    130       2.1295      0.00000
    131       2.1761      0.00000
    132       2.2794      0.00000
    133       2.3268      0.00000
    134       2.4596      0.00000
    135       2.5788      0.00000
    136       2.6643      0.00000
    137       2.8604      0.00000
    138       2.8719      0.00000
    139       2.9004      0.00000
    140       3.0312      0.00000
    141       3.0366      0.00000
    142       3.1488      0.00000
    143       3.1639      0.00000
    144       3.2394      0.00000
    145       3.2801      0.00000
    146       3.2891      0.00000
    147       3.3054      0.00000
    148       3.3518      0.00000
    149       3.4320      0.00000
    150       3.4519      0.00000
    151       3.5607      0.00000
    152       3.6262      0.00000
    153       3.6886      0.00000
    154       3.7197      0.00000
    155       3.7833      0.00000
    156       3.9005      0.00000
    157       3.9503      0.00000
    158       4.0143      0.00000
    159       4.1478      0.00000
    160       4.2366      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3157      1.00000
      2     -21.9627      1.00000
      3     -21.8907      1.00000
      4     -21.3830      1.00000
      5     -21.3467      1.00000
      6     -20.8379      1.00000
      7     -20.7717      1.00000
      8     -20.6235      1.00000
      9     -20.0881      1.00000
     10     -20.0595      1.00000
     11     -19.7170      1.00000
     12     -19.6883      1.00000
     13     -19.0084      1.00000
     14     -18.9775      1.00000
     15     -18.6484      1.00000
     16     -18.6158      1.00000
     17     -18.4594      1.00000
     18     -17.6593      1.00000
     19     -17.6456      1.00000
     20     -17.6095      1.00000
     21     -17.5769      1.00000
     22     -17.1361      1.00000
     23     -17.0963      1.00000
     24     -16.9647      1.00000
     25     -16.0071      1.00000
     26     -15.9218      1.00000
     27     -15.5975      1.00000
     28     -15.5741      1.00000
     29     -15.2789      1.00000
     30     -14.8754      1.00000
     31     -14.8286      1.00000
     32     -14.5736      1.00000
     33     -14.5360      1.00000
     34     -14.1628      1.00000
     35     -14.1588      1.00000
     36     -13.1611      1.00000
     37     -13.0945      1.00000
     38     -13.0220      1.00000
     39     -13.0177      1.00000
     40     -12.7168      1.00000
     41     -12.6937      1.00000
     42     -12.3393      1.00000
     43     -12.3121      1.00000
     44     -11.6308      1.00000
     45     -11.6216      1.00000
     46     -11.5690      1.00000
     47     -10.9397      1.00000
     48     -10.9218      1.00000
     49     -10.6677      1.00000
     50     -10.5889      1.00000
     51     -10.5714      1.00000
     52     -10.4998      1.00000
     53     -10.4877      1.00000
     54     -10.4380      1.00000
     55     -10.3550      1.00000
     56     -10.1020      1.00000
     57      -9.8963      1.00000
     58      -9.6074      1.00000
     59      -9.5504      1.00000
     60      -9.4527      1.00000
     61      -9.4172      1.00000
     62      -9.4083      1.00000
     63      -9.3782      1.00000
     64      -9.3710      1.00000
     65      -9.2661      1.00000
     66      -9.1647      1.00000
     67      -9.1406      1.00000
     68      -9.1150      1.00000
     69      -8.8651      1.00000
     70      -8.8592      1.00000
     71      -8.8009      1.00000
     72      -8.5951      1.00000
     73      -8.5251      1.00000
     74      -8.1924      1.00000
     75      -8.1697      1.00000
     76      -8.0746      1.00000
     77      -7.8564      1.00000
     78      -7.8360      1.00000
     79      -7.8226      1.00000
     80      -7.7098      1.00000
     81      -7.6954      1.00000
     82      -7.5965      1.00000
     83      -7.5289      1.00000
     84      -7.3493      1.00000
     85      -7.1673      1.00000
     86      -6.9047      1.00000
     87      -6.8951      1.00000
     88      -6.5914      1.00000
     89      -6.5506      1.00000
     90      -6.4052      1.00000
     91      -6.3011      1.00000
     92      -6.2464      1.00000
     93      -6.2009      1.00000
     94      -6.0031      1.00000
     95      -5.5307      1.00000
     96      -5.4649      1.00000
     97      -5.3133      1.00000
     98      -5.2089      1.00000
     99      -5.0457      1.00000
    100      -4.7225      1.00000
    101      -4.6708      1.00000
    102      -4.4228      1.00000
    103      -4.1936      1.00000
    104      -3.8418      1.00000
    105      -3.6335      1.00000
    106      -3.4157      1.00000
    107      -2.2927      0.00000
    108      -1.5094      0.00000
    109      -1.2702      0.00000
    110      -1.2625      0.00000
    111      -1.0344      0.00000
    112      -0.9774      0.00000
    113      -0.8682      0.00000
    114      -0.7998      0.00000
    115      -0.2623      0.00000
    116       0.2037      0.00000
    117       0.2390      0.00000
    118       0.3596      0.00000
    119       0.6962      0.00000
    120       0.8941      0.00000
    121       0.9237      0.00000
    122       1.0447      0.00000
    123       1.1719      0.00000
    124       1.5141      0.00000
    125       1.5730      0.00000
    126       1.7148      0.00000
    127       1.7791      0.00000
    128       1.8315      0.00000
    129       1.9582      0.00000
    130       1.9992      0.00000
    131       2.1773      0.00000
    132       2.2757      0.00000
    133       2.4259      0.00000
    134       2.4443      0.00000
    135       2.5081      0.00000
    136       2.6011      0.00000
    137       2.6180      0.00000
    138       2.7074      0.00000
    139       2.7667      0.00000
    140       2.8747      0.00000
    141       3.0449      0.00000
    142       3.0918      0.00000
    143       3.1865      0.00000
    144       3.2391      0.00000
    145       3.2454      0.00000
    146       3.3037      0.00000
    147       3.3686      0.00000
    148       3.4601      0.00000
    149       3.5322      0.00000
    150       3.6977      0.00000
    151       3.7181      0.00000
    152       3.7541      0.00000
    153       3.8347      0.00000
    154       3.8922      0.00000
    155       3.9432      0.00000
    156       3.9848      0.00000
    157       4.0075      0.00000
    158       4.0278      0.00000
    159       4.0475      0.00000
    160       4.0828      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3879      1.00000
      2     -21.8291      1.00000
      3     -21.6398      1.00000
      4     -21.6049      1.00000
      5     -21.2772      1.00000
      6     -21.2303      1.00000
      7     -21.0550      1.00000
      8     -20.1699      1.00000
      9     -20.1239      1.00000
     10     -19.6154      1.00000
     11     -19.5893      1.00000
     12     -19.4143      1.00000
     13     -19.0932      1.00000
     14     -19.0545      1.00000
     15     -19.0503      1.00000
     16     -19.0374      1.00000
     17     -18.3654      1.00000
     18     -18.3457      1.00000
     19     -18.0155      1.00000
     20     -17.0711      1.00000
     21     -17.0226      1.00000
     22     -16.9485      1.00000
     23     -16.9348      1.00000
     24     -16.4736      1.00000
     25     -16.4617      1.00000
     26     -15.6082      1.00000
     27     -15.6077      1.00000
     28     -15.2488      1.00000
     29     -15.2368      1.00000
     30     -15.1899      1.00000
     31     -15.1000      1.00000
     32     -15.0669      1.00000
     33     -14.6971      1.00000
     34     -14.6962      1.00000
     35     -13.7239      1.00000
     36     -13.7239      1.00000
     37     -13.2340      1.00000
     38     -12.6231      1.00000
     39     -12.5789      1.00000
     40     -12.4532      1.00000
     41     -12.4478      1.00000
     42     -12.1045      1.00000
     43     -12.0995      1.00000
     44     -11.7204      1.00000
     45     -11.6819      1.00000
     46     -11.2445      1.00000
     47     -11.2237      1.00000
     48     -11.0163      1.00000
     49     -11.0046      1.00000
     50     -10.9266      1.00000
     51     -10.8980      1.00000
     52     -10.6349      1.00000
     53     -10.1708      1.00000
     54     -10.1479      1.00000
     55     -10.0835      1.00000
     56      -9.9902      1.00000
     57      -9.6952      1.00000
     58      -9.6887      1.00000
     59      -9.6689      1.00000
     60      -9.5904      1.00000
     61      -9.5668      1.00000
     62      -9.5524      1.00000
     63      -9.3115      1.00000
     64      -9.2989      1.00000
     65      -9.2816      1.00000
     66      -9.2422      1.00000
     67      -9.1208      1.00000
     68      -9.1113      1.00000
     69      -9.1097      1.00000
     70      -8.9381      1.00000
     71      -8.8746      1.00000
     72      -8.6044      1.00000
     73      -8.5860      1.00000
     74      -8.2693      1.00000
     75      -8.1001      1.00000
     76      -7.8672      1.00000
     77      -7.8423      1.00000
     78      -7.7895      1.00000
     79      -7.7638      1.00000
     80      -7.7547      1.00000
     81      -7.4461      1.00000
     82      -7.3337      1.00000
     83      -7.3219      1.00000
     84      -7.2648      1.00000
     85      -7.1617      1.00000
     86      -7.0148      1.00000
     87      -6.9857      1.00000
     88      -6.7164      1.00000
     89      -6.6896      1.00000
     90      -6.6307      1.00000
     91      -6.5900      1.00000
     92      -6.1164      1.00000
     93      -6.0585      1.00000
     94      -6.0436      1.00000
     95      -6.0283      1.00000
     96      -5.7474      1.00000
     97      -4.9734      1.00000
     98      -4.8384      1.00000
     99      -4.7085      1.00000
    100      -4.6731      1.00000
    101      -4.4826      1.00000
    102      -4.3508      1.00000
    103      -4.1109      1.00000
    104      -4.0547      1.00000
    105      -3.7544      1.00000
    106      -3.4644      1.00000
    107      -1.9507      0.00000
    108      -1.7716      0.00000
    109      -1.4799      0.00000
    110      -1.3557      0.00000
    111      -1.3359      0.00000
    112      -1.2921      0.00000
    113      -0.6782      0.00000
    114      -0.4723      0.00000
    115      -0.2359      0.00000
    116       0.0508      0.00000
    117       0.5938      0.00000
    118       0.6918      0.00000
    119       0.7693      0.00000
    120       1.0227      0.00000
    121       1.0966      0.00000
    122       1.1782      0.00000
    123       1.2519      0.00000
    124       1.3396      0.00000
    125       1.4425      0.00000
    126       1.6107      0.00000
    127       1.7556      0.00000
    128       1.8450      0.00000
    129       1.8569      0.00000
    130       1.8904      0.00000
    131       2.0414      0.00000
    132       2.2231      0.00000
    133       2.2448      0.00000
    134       2.2999      0.00000
    135       2.4843      0.00000
    136       2.6177      0.00000
    137       2.6373      0.00000
    138       2.7687      0.00000
    139       2.7984      0.00000
    140       2.8358      0.00000
    141       2.8503      0.00000
    142       2.8511      0.00000
    143       2.9322      0.00000
    144       3.1036      0.00000
    145       3.3207      0.00000
    146       3.3510      0.00000
    147       3.3890      0.00000
    148       3.4114      0.00000
    149       3.4333      0.00000
    150       3.6041      0.00000
    151       3.6439      0.00000
    152       3.6872      0.00000
    153       3.7394      0.00000
    154       3.9030      0.00000
    155       3.9332      0.00000
    156       3.9577      0.00000
    157       4.1086      0.00000
    158       4.2121      0.00000
    159       4.2701      0.00000
    160       4.2887      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2079      1.00000
      2     -22.1174      1.00000
      3     -21.9550      1.00000
      4     -21.4030      1.00000
      5     -21.0445      1.00000
      6     -21.0162      1.00000
      7     -20.4944      1.00000
      8     -20.4646      1.00000
      9     -20.2846      1.00000
     10     -20.2828      1.00000
     11     -19.9551      1.00000
     12     -19.8921      1.00000
     13     -18.8819      1.00000
     14     -18.8144      1.00000
     15     -18.3364      1.00000
     16     -18.3172      1.00000
     17     -18.1478      1.00000
     18     -18.1402      1.00000
     19     -17.8145      1.00000
     20     -17.7964      1.00000
     21     -17.2568      1.00000
     22     -17.2374      1.00000
     23     -17.1594      1.00000
     24     -17.1342      1.00000
     25     -16.1145      1.00000
     26     -15.8792      1.00000
     27     -15.8681      1.00000
     28     -15.8392      1.00000
     29     -15.2302      1.00000
     30     -14.5497      1.00000
     31     -14.5313      1.00000
     32     -14.2750      1.00000
     33     -13.9736      1.00000
     34     -13.9499      1.00000
     35     -13.8236      1.00000
     36     -13.8014      1.00000
     37     -13.6031      1.00000
     38     -13.5777      1.00000
     39     -13.3683      1.00000
     40     -12.6369      1.00000
     41     -12.1680      1.00000
     42     -12.1416      1.00000
     43     -12.0667      1.00000
     44     -12.0199      1.00000
     45     -11.6638      1.00000
     46     -11.6590      1.00000
     47     -11.1357      1.00000
     48     -11.1249      1.00000
     49     -10.7893      1.00000
     50     -10.7332      1.00000
     51     -10.5332      1.00000
     52     -10.2071      1.00000
     53     -10.2010      1.00000
     54     -10.1689      1.00000
     55     -10.0214      1.00000
     56      -9.9927      1.00000
     57      -9.9889      1.00000
     58      -9.8039      1.00000
     59      -9.7948      1.00000
     60      -9.7636      1.00000
     61      -9.7560      1.00000
     62      -9.4535      1.00000
     63      -9.4157      1.00000
     64      -9.0835      1.00000
     65      -9.0447      1.00000
     66      -9.0240      1.00000
     67      -8.9695      1.00000
     68      -8.8963      1.00000
     69      -8.7071      1.00000
     70      -8.6981      1.00000
     71      -8.5594      1.00000
     72      -8.5485      1.00000
     73      -8.4765      1.00000
     74      -8.4590      1.00000
     75      -8.4558      1.00000
     76      -8.3067      1.00000
     77      -8.0937      1.00000
     78      -8.0880      1.00000
     79      -7.9251      1.00000
     80      -7.8307      1.00000
     81      -7.5996      1.00000
     82      -7.5371      1.00000
     83      -7.4430      1.00000
     84      -7.3135      1.00000
     85      -6.9928      1.00000
     86      -6.9184      1.00000
     87      -6.8808      1.00000
     88      -6.5278      1.00000
     89      -6.5140      1.00000
     90      -6.4805      1.00000
     91      -6.4194      1.00000
     92      -5.9260      1.00000
     93      -5.9047      1.00000
     94      -5.7880      1.00000
     95      -5.7738      1.00000
     96      -5.3687      1.00000
     97      -5.3619      1.00000
     98      -5.2200      1.00000
     99      -5.2147      1.00000
    100      -5.1977      1.00000
    101      -4.7191      1.00000
    102      -4.4411      1.00000
    103      -4.1898      1.00000
    104      -3.8195      1.00000
    105      -3.5640      1.00000
    106      -3.2211      1.00000
    107      -2.5628      0.00000
    108      -1.4632      0.00000
    109      -1.2666      0.00000
    110      -1.1857      0.00000
    111      -1.1839      0.00000
    112      -0.6448      0.00000
    113      -0.5517      0.00000
    114      -0.4152      0.00000
    115      -0.3477      0.00000
    116      -0.0777      0.00000
    117      -0.0635      0.00000
    118       0.1253      0.00000
    119       0.5923      0.00000
    120       0.6262      0.00000
    121       0.8607      0.00000
    122       0.9921      0.00000
    123       1.0078      0.00000
    124       1.4981      0.00000
    125       1.6907      0.00000
    126       1.7846      0.00000
    127       1.8726      0.00000
    128       2.1233      0.00000
    129       2.1253      0.00000
    130       2.1841      0.00000
    131       2.2096      0.00000
    132       2.2515      0.00000
    133       2.3426      0.00000
    134       2.4967      0.00000
    135       2.5004      0.00000
    136       2.6746      0.00000
    137       2.8519      0.00000
    138       2.8605      0.00000
    139       2.9613      0.00000
    140       3.0185      0.00000
    141       3.0522      0.00000
    142       3.1427      0.00000
    143       3.1752      0.00000
    144       3.2506      0.00000
    145       3.2629      0.00000
    146       3.2838      0.00000
    147       3.3085      0.00000
    148       3.3601      0.00000
    149       3.4261      0.00000
    150       3.5582      0.00000
    151       3.5726      0.00000
    152       3.6547      0.00000
    153       3.6654      0.00000
    154       3.6866      0.00000
    155       3.7175      0.00000
    156       3.9033      0.00000
    157       3.9706      0.00000
    158       4.0483      0.00000
    159       4.0921      0.00000
    160       4.1994      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2815      1.00000
      2     -22.0770      1.00000
      3     -21.7186      1.00000
      4     -21.6795      1.00000
      5     -20.9811      1.00000
      6     -20.9336      1.00000
      7     -20.6097      1.00000
      8     -20.5777      1.00000
      9     -20.5642      1.00000
     10     -20.0308      1.00000
     11     -19.5118      1.00000
     12     -19.4819      1.00000
     13     -19.3100      1.00000
     14     -19.2969      1.00000
     15     -18.4482      1.00000
     16     -18.4053      1.00000
     17     -17.9262      1.00000
     18     -17.9059      1.00000
     19     -17.7646      1.00000
     20     -17.7198      1.00000
     21     -17.4404      1.00000
     22     -17.4220      1.00000
     23     -17.3373      1.00000
     24     -16.4696      1.00000
     25     -16.4595      1.00000
     26     -15.9686      1.00000
     27     -15.4097      1.00000
     28     -15.4087      1.00000
     29     -15.0947      1.00000
     30     -15.0916      1.00000
     31     -14.8523      1.00000
     32     -14.8401      1.00000
     33     -14.2965      1.00000
     34     -14.2527      1.00000
     35     -13.4431      1.00000
     36     -13.3992      1.00000
     37     -13.1742      1.00000
     38     -13.1727      1.00000
     39     -12.9837      1.00000
     40     -12.9748      1.00000
     41     -12.6099      1.00000
     42     -12.6078      1.00000
     43     -12.1955      1.00000
     44     -11.5783      1.00000
     45     -11.5373      1.00000
     46     -11.3122      1.00000
     47     -11.2820      1.00000
     48     -11.1408      1.00000
     49     -10.6913      1.00000
     50     -10.6621      1.00000
     51     -10.5450      1.00000
     52     -10.3209      1.00000
     53     -10.3133      1.00000
     54     -10.1740      1.00000
     55     -10.1204      1.00000
     56     -10.1073      1.00000
     57      -9.8098      1.00000
     58      -9.7509      1.00000
     59      -9.7508      1.00000
     60      -9.7008      1.00000
     61      -9.6972      1.00000
     62      -9.6452      1.00000
     63      -9.3514      1.00000
     64      -9.3499      1.00000
     65      -9.3171      1.00000
     66      -9.0261      1.00000
     67      -8.9605      1.00000
     68      -8.9567      1.00000
     69      -8.7740      1.00000
     70      -8.5911      1.00000
     71      -8.5864      1.00000
     72      -8.4223      1.00000
     73      -8.3484      1.00000
     74      -8.3217      1.00000
     75      -8.3014      1.00000
     76      -8.2651      1.00000
     77      -8.2541      1.00000
     78      -8.2387      1.00000
     79      -7.9203      1.00000
     80      -7.7328      1.00000
     81      -7.3784      1.00000
     82      -7.3485      1.00000
     83      -7.3227      1.00000
     84      -7.2163      1.00000
     85      -7.1589      1.00000
     86      -7.0643      1.00000
     87      -6.9594      1.00000
     88      -6.9042      1.00000
     89      -6.6136      1.00000
     90      -6.5554      1.00000
     91      -6.2713      1.00000
     92      -5.9958      1.00000
     93      -5.9585      1.00000
     94      -5.6741      1.00000
     95      -5.6475      1.00000
     96      -5.3868      1.00000
     97      -5.3146      1.00000
     98      -5.2930      1.00000
     99      -5.2111      1.00000
    100      -5.1996      1.00000
    101      -4.5103      1.00000
    102      -4.3372      1.00000
    103      -3.9954      1.00000
    104      -3.8851      1.00000
    105      -3.7921      1.00000
    106      -3.4424      1.00000
    107      -2.0346      0.00000
    108      -1.8639      0.00000
    109      -1.2177      0.00000
    110      -1.1835      0.00000
    111      -1.0361      0.00000
    112      -0.7726      0.00000
    113      -0.6775      0.00000
    114      -0.6601      0.00000
    115      -0.6095      0.00000
    116      -0.1024      0.00000
    117       0.2224      0.00000
    118       0.2392      0.00000
    119       0.7760      0.00000
    120       0.9892      0.00000
    121       1.0747      0.00000
    122       1.2420      0.00000
    123       1.2519      0.00000
    124       1.3459      0.00000
    125       1.5811      0.00000
    126       1.5845      0.00000
    127       1.7160      0.00000
    128       1.7979      0.00000
    129       1.9554      0.00000
    130       1.9787      0.00000
    131       2.0654      0.00000
    132       2.2754      0.00000
    133       2.3419      0.00000
    134       2.4260      0.00000
    135       2.5524      0.00000
    136       2.6338      0.00000
    137       2.7461      0.00000
    138       2.8116      0.00000
    139       2.8512      0.00000
    140       2.8752      0.00000
    141       3.0547      0.00000
    142       3.1085      0.00000
    143       3.1653      0.00000
    144       3.2297      0.00000
    145       3.3772      0.00000
    146       3.4183      0.00000
    147       3.5154      0.00000
    148       3.5647      0.00000
    149       3.5921      0.00000
    150       3.6163      0.00000
    151       3.6587      0.00000
    152       3.7412      0.00000
    153       3.7534      0.00000
    154       3.7731      0.00000
    155       3.7969      0.00000
    156       3.8765      0.00000
    157       4.0238      0.00000
    158       4.0966      0.00000
    159       4.1787      0.00000
    160       4.2226      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.4246      1.00000
      2     -21.6013      1.00000
      3     -21.4798      1.00000
      4     -21.4709      1.00000
      5     -21.4393      1.00000
      6     -21.4385      1.00000
      7     -21.4283      1.00000
      8     -19.7057      1.00000
      9     -19.6511      1.00000
     10     -19.6279      1.00000
     11     -19.6170      1.00000
     12     -19.6116      1.00000
     13     -19.6105      1.00000
     14     -18.7883      1.00000
     15     -18.7531      1.00000
     16     -18.7334      1.00000
     17     -18.7241      1.00000
     18     -18.7168      1.00000
     19     -18.7116      1.00000
     20     -16.6335      1.00000
     21     -16.6081      1.00000
     22     -16.5837      1.00000
     23     -16.5803      1.00000
     24     -16.5534      1.00000
     25     -16.5515      1.00000
     26     -15.6128      1.00000
     27     -15.6010      1.00000
     28     -15.5976      1.00000
     29     -15.5633      1.00000
     30     -15.5616      1.00000
     31     -15.5598      1.00000
     32     -14.2583      1.00000
     33     -14.2492      1.00000
     34     -14.2395      1.00000
     35     -14.2346      1.00000
     36     -14.2211      1.00000
     37     -14.2183      1.00000
     38     -11.9046      1.00000
     39     -11.8781      1.00000
     40     -11.8673      1.00000
     41     -11.8643      1.00000
     42     -11.8439      1.00000
     43     -11.8436      1.00000
     44     -11.7697      1.00000
     45     -11.7672      1.00000
     46     -11.7341      1.00000
     47     -11.7277      1.00000
     48     -11.7238      1.00000
     49     -11.7208      1.00000
     50     -10.6739      1.00000
     51     -10.3869      1.00000
     52     -10.3826      1.00000
     53     -10.3755      1.00000
     54     -10.3670      1.00000
     55     -10.3545      1.00000
     56     -10.3524      1.00000
     57      -9.9017      1.00000
     58      -9.4488      1.00000
     59      -9.4040      1.00000
     60      -9.3609      1.00000
     61      -9.3604      1.00000
     62      -9.3525      1.00000
     63      -9.1410      1.00000
     64      -9.1213      1.00000
     65      -9.1199      1.00000
     66      -9.0843      1.00000
     67      -9.0707      1.00000
     68      -9.0697      1.00000
     69      -9.0695      1.00000
     70      -9.0633      1.00000
     71      -9.0632      1.00000
     72      -9.0376      1.00000
     73      -9.0279      1.00000
     74      -9.0252      1.00000
     75      -8.1287      1.00000
     76      -7.7438      1.00000
     77      -7.4685      1.00000
     78      -7.4654      1.00000
     79      -7.4528      1.00000
     80      -7.4335      1.00000
     81      -7.4237      1.00000
     82      -7.4055      1.00000
     83      -7.3113      1.00000
     84      -7.2698      1.00000
     85      -7.2561      1.00000
     86      -7.2476      1.00000
     87      -7.1499      1.00000
     88      -7.0487      1.00000
     89      -6.4452      1.00000
     90      -6.4146      1.00000
     91      -6.3991      1.00000
     92      -6.3627      1.00000
     93      -6.3520      1.00000
     94      -6.3400      1.00000
     95      -5.9588      1.00000
     96      -5.9570      1.00000
     97      -4.8047      1.00000
     98      -4.5430      1.00000
     99      -4.4810      1.00000
    100      -4.4732      1.00000
    101      -4.3819      1.00000
    102      -4.3810      1.00000
    103      -4.2668      1.00000
    104      -4.1863      1.00000
    105      -3.7388      1.00000
    106      -3.4765      1.00000
    107      -1.8620      0.00000
    108      -1.6705      0.00000
    109      -1.6238      0.00000
    110      -1.5916      0.00000
    111      -1.5757      0.00000
    112      -1.5750      0.00000
    113      -0.4294      0.00000
    114       0.1457      0.00000
    115       0.1916      0.00000
    116       0.2550      0.00000
    117       0.2674      0.00000
    118       0.2708      0.00000
    119       0.4760      0.00000
    120       0.5547      0.00000
    121       1.2555      0.00000
    122       1.2912      0.00000
    123       1.5464      0.00000
    124       1.7777      0.00000
    125       1.7794      0.00000
    126       1.7813      0.00000
    127       1.7820      0.00000
    128       1.8318      0.00000
    129       1.9573      0.00000
    130       1.9710      0.00000
    131       1.9739      0.00000
    132       1.9881      0.00000
    133       1.9955      0.00000
    134       2.0846      0.00000
    135       2.2619      0.00000
    136       2.3429      0.00000
    137       2.6287      0.00000
    138       2.6301      0.00000
    139       2.6596      0.00000
    140       2.7245      0.00000
    141       2.9437      0.00000
    142       3.0323      0.00000
    143       3.0438      0.00000
    144       3.0753      0.00000
    145       3.0771      0.00000
    146       3.0811      0.00000
    147       3.1000      0.00000
    148       3.2854      0.00000
    149       3.4516      0.00000
    150       3.5192      0.00000
    151       3.8248      0.00000
    152       3.9630      0.00000
    153       3.9752      0.00000
    154       3.9790      0.00000
    155       3.9858      0.00000
    156       4.0030      0.00000
    157       4.1905      0.00000
    158       4.2656      0.00000
    159       4.2762      0.00000
    160       4.2873      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.3879      1.00000
      2     -21.8288      1.00000
      3     -21.6366      1.00000
      4     -21.6089      1.00000
      5     -21.2730      1.00000
      6     -21.2338      1.00000
      7     -21.0554      1.00000
      8     -20.1661      1.00000
      9     -20.1280      1.00000
     10     -19.6071      1.00000
     11     -19.5961      1.00000
     12     -19.4158      1.00000
     13     -19.0881      1.00000
     14     -19.0588      1.00000
     15     -19.0476      1.00000
     16     -19.0399      1.00000
     17     -18.3594      1.00000
     18     -18.3509      1.00000
     19     -18.0178      1.00000
     20     -17.0679      1.00000
     21     -17.0293      1.00000
     22     -16.9428      1.00000
     23     -16.9390      1.00000
     24     -16.4668      1.00000
     25     -16.4623      1.00000
     26     -15.6123      1.00000
     27     -15.6062      1.00000
     28     -15.2511      1.00000
     29     -15.2423      1.00000
     30     -15.1836      1.00000
     31     -15.0969      1.00000
     32     -15.0699      1.00000
     33     -14.6972      1.00000
     34     -14.6952      1.00000
     35     -13.7253      1.00000
     36     -13.7227      1.00000
     37     -13.2348      1.00000
     38     -12.6135      1.00000
     39     -12.5833      1.00000
     40     -12.4529      1.00000
     41     -12.4492      1.00000
     42     -12.1083      1.00000
     43     -12.1036      1.00000
     44     -11.7157      1.00000
     45     -11.6849      1.00000
     46     -11.2342      1.00000
     47     -11.2255      1.00000
     48     -11.0166      1.00000
     49     -11.0086      1.00000
     50     -10.9250      1.00000
     51     -10.9039      1.00000
     52     -10.6288      1.00000
     53     -10.1541      1.00000
     54     -10.1498      1.00000
     55     -10.0912      1.00000
     56      -9.9966      1.00000
     57      -9.7012      1.00000
     58      -9.6942      1.00000
     59      -9.6544      1.00000
     60      -9.5908      1.00000
     61      -9.5756      1.00000
     62      -9.5578      1.00000
     63      -9.3062      1.00000
     64      -9.3023      1.00000
     65      -9.2726      1.00000
     66      -9.2353      1.00000
     67      -9.1352      1.00000
     68      -9.1145      1.00000
     69      -9.1101      1.00000
     70      -8.9383      1.00000
     71      -8.8709      1.00000
     72      -8.6034      1.00000
     73      -8.5901      1.00000
     74      -8.2350      1.00000
     75      -8.1002      1.00000
     76      -7.9117      1.00000
     77      -7.8627      1.00000
     78      -7.7712      1.00000
     79      -7.7559      1.00000
     80      -7.6911      1.00000
     81      -7.5592      1.00000
     82      -7.3386      1.00000
     83      -7.3220      1.00000
     84      -7.2034      1.00000
     85      -7.1224      1.00000
     86      -7.0312      1.00000
     87      -7.0113      1.00000
     88      -6.7033      1.00000
     89      -6.6770      1.00000
     90      -6.6400      1.00000
     91      -6.5972      1.00000
     92      -6.1160      1.00000
     93      -6.0612      1.00000
     94      -6.0302      1.00000
     95      -6.0108      1.00000
     96      -5.7822      1.00000
     97      -4.9730      1.00000
     98      -4.8313      1.00000
     99      -4.7462      1.00000
    100      -4.6786      1.00000
    101      -4.4676      1.00000
    102      -4.2024      1.00000
    103      -4.1714      1.00000
    104      -4.1272      1.00000
    105      -3.7291      1.00000
    106      -3.4866      1.00000
    107      -1.8703      0.00000
    108      -1.8086      0.00000
    109      -1.5245      0.00000
    110      -1.3771      0.00000
    111      -1.3218      0.00000
    112      -1.2882      0.00000
    113      -0.7203      0.00000
    114      -0.3764      0.00000
    115      -0.2499      0.00000
    116       0.0360      0.00000
    117       0.5608      0.00000
    118       0.6994      0.00000
    119       0.7462      0.00000
    120       1.0481      0.00000
    121       1.0989      0.00000
    122       1.1527      0.00000
    123       1.2279      0.00000
    124       1.3837      0.00000
    125       1.5289      0.00000
    126       1.5950      0.00000
    127       1.7191      0.00000
    128       1.8041      0.00000
    129       1.8566      0.00000
    130       1.8821      0.00000
    131       2.0985      0.00000
    132       2.1973      0.00000
    133       2.2455      0.00000
    134       2.3170      0.00000
    135       2.5227      0.00000
    136       2.6033      0.00000
    137       2.6244      0.00000
    138       2.7847      0.00000
    139       2.7978      0.00000
    140       2.8256      0.00000
    141       2.8400      0.00000
    142       2.9052      0.00000
    143       2.9356      0.00000
    144       3.0978      0.00000
    145       3.1651      0.00000
    146       3.3241      0.00000
    147       3.3642      0.00000
    148       3.4114      0.00000
    149       3.4759      0.00000
    150       3.6166      0.00000
    151       3.6460      0.00000
    152       3.6730      0.00000
    153       3.7197      0.00000
    154       3.9236      0.00000
    155       3.9649      0.00000
    156       4.0240      0.00000
    157       4.0701      0.00000
    158       4.2506      0.00000
    159       4.2607      0.00000
    160       4.2821      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.2819      1.00000
      2     -22.0764      1.00000
      3     -21.7150      1.00000
      4     -21.6833      1.00000
      5     -20.9778      1.00000
      6     -20.9374      1.00000
      7     -20.6103      1.00000
      8     -20.5737      1.00000
      9     -20.5675      1.00000
     10     -20.0312      1.00000
     11     -19.5019      1.00000
     12     -19.4902      1.00000
     13     -19.3055      1.00000
     14     -19.3002      1.00000
     15     -18.4463      1.00000
     16     -18.4097      1.00000
     17     -17.9210      1.00000
     18     -17.9117      1.00000
     19     -17.7603      1.00000
     20     -17.7246      1.00000
     21     -17.4347      1.00000
     22     -17.4274      1.00000
     23     -17.3397      1.00000
     24     -16.4618      1.00000
     25     -16.4607      1.00000
     26     -15.9657      1.00000
     27     -15.4127      1.00000
     28     -15.4077      1.00000
     29     -15.0951      1.00000
     30     -15.0920      1.00000
     31     -14.8539      1.00000
     32     -14.8462      1.00000
     33     -14.2894      1.00000
     34     -14.2565      1.00000
     35     -13.4359      1.00000
     36     -13.4033      1.00000
     37     -13.1764      1.00000
     38     -13.1729      1.00000
     39     -12.9803      1.00000
     40     -12.9754      1.00000
     41     -12.6120      1.00000
     42     -12.6086      1.00000
     43     -12.1969      1.00000
     44     -11.5750      1.00000
     45     -11.5413      1.00000
     46     -11.3091      1.00000
     47     -11.2864      1.00000
     48     -11.1413      1.00000
     49     -10.6752      1.00000
     50     -10.6600      1.00000
     51     -10.5509      1.00000
     52     -10.3225      1.00000
     53     -10.3164      1.00000
     54     -10.1677      1.00000
     55     -10.1147      1.00000
     56     -10.1118      1.00000
     57      -9.7966      1.00000
     58      -9.7641      1.00000
     59      -9.7507      1.00000
     60      -9.6986      1.00000
     61      -9.6964      1.00000
     62      -9.6605      1.00000
     63      -9.3537      1.00000
     64      -9.3502      1.00000
     65      -9.3142      1.00000
     66      -9.0394      1.00000
     67      -8.9616      1.00000
     68      -8.9480      1.00000
     69      -8.7980      1.00000
     70      -8.5936      1.00000
     71      -8.5562      1.00000
     72      -8.3969      1.00000
     73      -8.3635      1.00000
     74      -8.3234      1.00000
     75      -8.3061      1.00000
     76      -8.2579      1.00000
     77      -8.2565      1.00000
     78      -8.2352      1.00000
     79      -7.9037      1.00000
     80      -7.6500      1.00000
     81      -7.5480      1.00000
     82      -7.3862      1.00000
     83      -7.3488      1.00000
     84      -7.2308      1.00000
     85      -7.0956      1.00000
     86      -7.0378      1.00000
     87      -6.9329      1.00000
     88      -6.8477      1.00000
     89      -6.6116      1.00000
     90      -6.5587      1.00000
     91      -6.2688      1.00000
     92      -6.0426      1.00000
     93      -5.9506      1.00000
     94      -5.6616      1.00000
     95      -5.6221      1.00000
     96      -5.4619      1.00000
     97      -5.3188      1.00000
     98      -5.2780      1.00000
     99      -5.2128      1.00000
    100      -5.1934      1.00000
    101      -4.5071      1.00000
    102      -4.2065      1.00000
    103      -4.0582      1.00000
    104      -3.9887      1.00000
    105      -3.6940      1.00000
    106      -3.4968      1.00000
    107      -1.9459      0.00000
    108      -1.8963      0.00000
    109      -1.3389      0.00000
    110      -1.0851      0.00000
    111      -1.0579      0.00000
    112      -0.8007      0.00000
    113      -0.6774      0.00000
    114      -0.6472      0.00000
    115      -0.6076      0.00000
    116      -0.1089      0.00000
    117       0.2149      0.00000
    118       0.3281      0.00000
    119       0.6999      0.00000
    120       0.8920      0.00000
    121       1.1281      0.00000
    122       1.1990      0.00000
    123       1.3316      0.00000
    124       1.4274      0.00000
    125       1.5563      0.00000
    126       1.5770      0.00000
    127       1.6910      0.00000
    128       1.8104      0.00000
    129       1.8879      0.00000
    130       2.0616      0.00000
    131       2.1126      0.00000
    132       2.3120      0.00000
    133       2.3542      0.00000
    134       2.4080      0.00000
    135       2.5588      0.00000
    136       2.6358      0.00000
    137       2.7359      0.00000
    138       2.7387      0.00000
    139       2.8094      0.00000
    140       2.8897      0.00000
    141       3.0557      0.00000
    142       3.0663      0.00000
    143       3.1753      0.00000
    144       3.2721      0.00000
    145       3.3674      0.00000
    146       3.4226      0.00000
    147       3.4433      0.00000
    148       3.5699      0.00000
    149       3.5883      0.00000
    150       3.6118      0.00000
    151       3.6623      0.00000
    152       3.6814      0.00000
    153       3.7781      0.00000
    154       3.7902      0.00000
    155       3.8093      0.00000
    156       3.8943      0.00000
    157       3.9326      0.00000
    158       3.9975      0.00000
    159       4.2232      0.00000
    160       4.2293      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3159      1.00000
      2     -21.9612      1.00000
      3     -21.8921      1.00000
      4     -21.3794      1.00000
      5     -21.3502      1.00000
      6     -20.8382      1.00000
      7     -20.7730      1.00000
      8     -20.6226      1.00000
      9     -20.0761      1.00000
     10     -20.0706      1.00000
     11     -19.7154      1.00000
     12     -19.6909      1.00000
     13     -18.9950      1.00000
     14     -18.9894      1.00000
     15     -18.6393      1.00000
     16     -18.6235      1.00000
     17     -18.4608      1.00000
     18     -17.6740      1.00000
     19     -17.6237      1.00000
     20     -17.6209      1.00000
     21     -17.5790      1.00000
     22     -17.1254      1.00000
     23     -17.1039      1.00000
     24     -16.9613      1.00000
     25     -16.0011      1.00000
     26     -15.9276      1.00000
     27     -15.5845      1.00000
     28     -15.5843      1.00000
     29     -15.2854      1.00000
     30     -14.8631      1.00000
     31     -14.8359      1.00000
     32     -14.5780      1.00000
     33     -14.5361      1.00000
     34     -14.1672      1.00000
     35     -14.1537      1.00000
     36     -13.1477      1.00000
     37     -13.0992      1.00000
     38     -13.0287      1.00000
     39     -13.0186      1.00000
     40     -12.7081      1.00000
     41     -12.7042      1.00000
     42     -12.3400      1.00000
     43     -12.3088      1.00000
     44     -11.6348      1.00000
     45     -11.6212      1.00000
     46     -11.5703      1.00000
     47     -10.9481      1.00000
     48     -10.9151      1.00000
     49     -10.6313      1.00000
     50     -10.6241      1.00000
     51     -10.5459      1.00000
     52     -10.4984      1.00000
     53     -10.4982      1.00000
     54     -10.4396      1.00000
     55     -10.3596      1.00000
     56     -10.0977      1.00000
     57      -9.9020      1.00000
     58      -9.6079      1.00000
     59      -9.5555      1.00000
     60      -9.4511      1.00000
     61      -9.4109      1.00000
     62      -9.4040      1.00000
     63      -9.3765      1.00000
     64      -9.3763      1.00000
     65      -9.2859      1.00000
     66      -9.1674      1.00000
     67      -9.1422      1.00000
     68      -9.1131      1.00000
     69      -8.8635      1.00000
     70      -8.8561      1.00000
     71      -8.8137      1.00000
     72      -8.5956      1.00000
     73      -8.4786      1.00000
     74      -8.1976      1.00000
     75      -8.1623      1.00000
     76      -8.0078      1.00000
     77      -7.9620      1.00000
     78      -7.8506      1.00000
     79      -7.8399      1.00000
     80      -7.7037      1.00000
     81      -7.6965      1.00000
     82      -7.6214      1.00000
     83      -7.4476      1.00000
     84      -7.2999      1.00000
     85      -7.2523      1.00000
     86      -6.9057      1.00000
     87      -6.8919      1.00000
     88      -6.5877      1.00000
     89      -6.5504      1.00000
     90      -6.4067      1.00000
     91      -6.2528      1.00000
     92      -6.2323      1.00000
     93      -6.2040      1.00000
     94      -6.0218      1.00000
     95      -5.5488      1.00000
     96      -5.4878      1.00000
     97      -5.3491      1.00000
     98      -5.2187      1.00000
     99      -4.9791      1.00000
    100      -4.7316      1.00000
    101      -4.6772      1.00000
    102      -4.3865      1.00000
    103      -4.2019      1.00000
    104      -3.8699      1.00000
    105      -3.5466      1.00000
    106      -3.5087      1.00000
    107      -2.2558      0.00000
    108      -1.4564      0.00000
    109      -1.3708      0.00000
    110      -1.2418      0.00000
    111      -1.0981      0.00000
    112      -0.9454      0.00000
    113      -0.8642      0.00000
    114      -0.8038      0.00000
    115      -0.1402      0.00000
    116       0.1111      0.00000
    117       0.2405      0.00000
    118       0.3767      0.00000
    119       0.6579      0.00000
    120       0.8357      0.00000
    121       0.9362      0.00000
    122       1.0680      0.00000
    123       1.2400      0.00000
    124       1.4508      0.00000
    125       1.5651      0.00000
    126       1.7659      0.00000
    127       1.7928      0.00000
    128       1.8685      0.00000
    129       1.9838      0.00000
    130       2.0442      0.00000
    131       2.1882      0.00000
    132       2.1882      0.00000
    133       2.4215      0.00000
    134       2.4374      0.00000
    135       2.5124      0.00000
    136       2.6039      0.00000
    137       2.6348      0.00000
    138       2.7033      0.00000
    139       2.7885      0.00000
    140       2.8463      0.00000
    141       2.9623      0.00000
    142       3.0935      0.00000
    143       3.1913      0.00000
    144       3.2109      0.00000
    145       3.2443      0.00000
    146       3.3314      0.00000
    147       3.3423      0.00000
    148       3.4740      0.00000
    149       3.5130      0.00000
    150       3.6987      0.00000
    151       3.7195      0.00000
    152       3.7292      0.00000
    153       3.8643      0.00000
    154       3.9101      0.00000
    155       3.9576      0.00000
    156       3.9815      0.00000
    157       4.0019      0.00000
    158       4.0352      0.00000
    159       4.0573      0.00000
    160       4.0719      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.2088      1.00000
      2     -22.1160      1.00000
      3     -21.9553      1.00000
      4     -21.4029      1.00000
      5     -21.0483      1.00000
      6     -21.0125      1.00000
      7     -20.4992      1.00000
      8     -20.4599      1.00000
      9     -20.2935      1.00000
     10     -20.2743      1.00000
     11     -19.9561      1.00000
     12     -19.8905      1.00000
     13     -18.8812      1.00000
     14     -18.8126      1.00000
     15     -18.3516      1.00000
     16     -18.3055      1.00000
     17     -18.1518      1.00000
     18     -18.1347      1.00000
     19     -17.8255      1.00000
     20     -17.7881      1.00000
     21     -17.2507      1.00000
     22     -17.2409      1.00000
     23     -17.1637      1.00000
     24     -17.1319      1.00000
     25     -16.1088      1.00000
     26     -15.8840      1.00000
     27     -15.8690      1.00000
     28     -15.8333      1.00000
     29     -15.2356      1.00000
     30     -14.5540      1.00000
     31     -14.5262      1.00000
     32     -14.2793      1.00000
     33     -13.9630      1.00000
     34     -13.9555      1.00000
     35     -13.8196      1.00000
     36     -13.8039      1.00000
     37     -13.6136      1.00000
     38     -13.5699      1.00000
     39     -13.3684      1.00000
     40     -12.6332      1.00000
     41     -12.1800      1.00000
     42     -12.1322      1.00000
     43     -12.0706      1.00000
     44     -12.0185      1.00000
     45     -11.6691      1.00000
     46     -11.6556      1.00000
     47     -11.1381      1.00000
     48     -11.1178      1.00000
     49     -10.7934      1.00000
     50     -10.7300      1.00000
     51     -10.5264      1.00000
     52     -10.2080      1.00000
     53     -10.2045      1.00000
     54     -10.1632      1.00000
     55     -10.0170      1.00000
     56     -10.0030      1.00000
     57      -9.9896      1.00000
     58      -9.8004      1.00000
     59      -9.7968      1.00000
     60      -9.7618      1.00000
     61      -9.7571      1.00000
     62      -9.4535      1.00000
     63      -9.4158      1.00000
     64      -9.0792      1.00000
     65      -9.0718      1.00000
     66      -9.0399      1.00000
     67      -8.9545      1.00000
     68      -8.8759      1.00000
     69      -8.7115      1.00000
     70      -8.6992      1.00000
     71      -8.5648      1.00000
     72      -8.5421      1.00000
     73      -8.4980      1.00000
     74      -8.4623      1.00000
     75      -8.4519      1.00000
     76      -8.2590      1.00000
     77      -8.1242      1.00000
     78      -8.0421      1.00000
     79      -7.9153      1.00000
     80      -7.8618      1.00000
     81      -7.6137      1.00000
     82      -7.5478      1.00000
     83      -7.4895      1.00000
     84      -7.2674      1.00000
     85      -6.9952      1.00000
     86      -6.9230      1.00000
     87      -6.8821      1.00000
     88      -6.5317      1.00000
     89      -6.4863      1.00000
     90      -6.4604      1.00000
     91      -6.4094      1.00000
     92      -5.9827      1.00000
     93      -5.8964      1.00000
     94      -5.7835      1.00000
     95      -5.7589      1.00000
     96      -5.4308      1.00000
     97      -5.3284      1.00000
     98      -5.2293      1.00000
     99      -5.2167      1.00000
    100      -5.1880      1.00000
    101      -4.6913      1.00000
    102      -4.4205      1.00000
    103      -4.2083      1.00000
    104      -3.8331      1.00000
    105      -3.5278      1.00000
    106      -3.2742      1.00000
    107      -2.5309      0.00000
    108      -1.4580      0.00000
    109      -1.2665      0.00000
    110      -1.2029      0.00000
    111      -1.1724      0.00000
    112      -0.7200      0.00000
    113      -0.5039      0.00000
    114      -0.4124      0.00000
    115      -0.3395      0.00000
    116      -0.1465      0.00000
    117      -0.0034      0.00000
    118       0.1930      0.00000
    119       0.5611      0.00000
    120       0.6123      0.00000
    121       0.8014      0.00000
    122       0.9124      0.00000
    123       1.1386      0.00000
    124       1.5025      0.00000
    125       1.6412      0.00000
    126       1.8686      0.00000
    127       1.9359      0.00000
    128       2.1140      0.00000
    129       2.1259      0.00000
    130       2.1295      0.00000
    131       2.1761      0.00000
    132       2.2794      0.00000
    133       2.3268      0.00000
    134       2.4596      0.00000
    135       2.5788      0.00000
    136       2.6643      0.00000
    137       2.8604      0.00000
    138       2.8719      0.00000
    139       2.9004      0.00000
    140       3.0312      0.00000
    141       3.0366      0.00000
    142       3.1488      0.00000
    143       3.1639      0.00000
    144       3.2394      0.00000
    145       3.2801      0.00000
    146       3.2891      0.00000
    147       3.3054      0.00000
    148       3.3518      0.00000
    149       3.4320      0.00000
    150       3.4519      0.00000
    151       3.5607      0.00000
    152       3.6262      0.00000
    153       3.6886      0.00000
    154       3.7197      0.00000
    155       3.7833      0.00000
    156       3.9005      0.00000
    157       3.9503      0.00000
    158       4.0143      0.00000
    159       4.1478      0.00000
    160       4.2366      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3157      1.00000
      2     -21.9627      1.00000
      3     -21.8907      1.00000
      4     -21.3830      1.00000
      5     -21.3467      1.00000
      6     -20.8379      1.00000
      7     -20.7717      1.00000
      8     -20.6235      1.00000
      9     -20.0881      1.00000
     10     -20.0595      1.00000
     11     -19.7170      1.00000
     12     -19.6883      1.00000
     13     -19.0084      1.00000
     14     -18.9775      1.00000
     15     -18.6484      1.00000
     16     -18.6158      1.00000
     17     -18.4594      1.00000
     18     -17.6593      1.00000
     19     -17.6456      1.00000
     20     -17.6095      1.00000
     21     -17.5769      1.00000
     22     -17.1361      1.00000
     23     -17.0963      1.00000
     24     -16.9647      1.00000
     25     -16.0071      1.00000
     26     -15.9218      1.00000
     27     -15.5975      1.00000
     28     -15.5741      1.00000
     29     -15.2789      1.00000
     30     -14.8754      1.00000
     31     -14.8286      1.00000
     32     -14.5736      1.00000
     33     -14.5360      1.00000
     34     -14.1628      1.00000
     35     -14.1588      1.00000
     36     -13.1611      1.00000
     37     -13.0945      1.00000
     38     -13.0220      1.00000
     39     -13.0177      1.00000
     40     -12.7168      1.00000
     41     -12.6937      1.00000
     42     -12.3393      1.00000
     43     -12.3121      1.00000
     44     -11.6308      1.00000
     45     -11.6216      1.00000
     46     -11.5690      1.00000
     47     -10.9397      1.00000
     48     -10.9218      1.00000
     49     -10.6677      1.00000
     50     -10.5889      1.00000
     51     -10.5714      1.00000
     52     -10.4998      1.00000
     53     -10.4877      1.00000
     54     -10.4380      1.00000
     55     -10.3550      1.00000
     56     -10.1020      1.00000
     57      -9.8963      1.00000
     58      -9.6074      1.00000
     59      -9.5504      1.00000
     60      -9.4527      1.00000
     61      -9.4172      1.00000
     62      -9.4083      1.00000
     63      -9.3782      1.00000
     64      -9.3710      1.00000
     65      -9.2661      1.00000
     66      -9.1647      1.00000
     67      -9.1406      1.00000
     68      -9.1150      1.00000
     69      -8.8651      1.00000
     70      -8.8592      1.00000
     71      -8.8009      1.00000
     72      -8.5951      1.00000
     73      -8.5251      1.00000
     74      -8.1924      1.00000
     75      -8.1697      1.00000
     76      -8.0746      1.00000
     77      -7.8564      1.00000
     78      -7.8360      1.00000
     79      -7.8226      1.00000
     80      -7.7098      1.00000
     81      -7.6954      1.00000
     82      -7.5965      1.00000
     83      -7.5289      1.00000
     84      -7.3493      1.00000
     85      -7.1673      1.00000
     86      -6.9047      1.00000
     87      -6.8951      1.00000
     88      -6.5914      1.00000
     89      -6.5506      1.00000
     90      -6.4052      1.00000
     91      -6.3011      1.00000
     92      -6.2464      1.00000
     93      -6.2009      1.00000
     94      -6.0031      1.00000
     95      -5.5307      1.00000
     96      -5.4649      1.00000
     97      -5.3133      1.00000
     98      -5.2089      1.00000
     99      -5.0457      1.00000
    100      -4.7225      1.00000
    101      -4.6708      1.00000
    102      -4.4228      1.00000
    103      -4.1936      1.00000
    104      -3.8418      1.00000
    105      -3.6335      1.00000
    106      -3.4157      1.00000
    107      -2.2927      0.00000
    108      -1.5094      0.00000
    109      -1.2702      0.00000
    110      -1.2625      0.00000
    111      -1.0344      0.00000
    112      -0.9774      0.00000
    113      -0.8682      0.00000
    114      -0.7998      0.00000
    115      -0.2623      0.00000
    116       0.2037      0.00000
    117       0.2390      0.00000
    118       0.3596      0.00000
    119       0.6962      0.00000
    120       0.8941      0.00000
    121       0.9237      0.00000
    122       1.0447      0.00000
    123       1.1719      0.00000
    124       1.5141      0.00000
    125       1.5730      0.00000
    126       1.7148      0.00000
    127       1.7791      0.00000
    128       1.8315      0.00000
    129       1.9582      0.00000
    130       1.9992      0.00000
    131       2.1773      0.00000
    132       2.2757      0.00000
    133       2.4259      0.00000
    134       2.4443      0.00000
    135       2.5081      0.00000
    136       2.6011      0.00000
    137       2.6180      0.00000
    138       2.7074      0.00000
    139       2.7667      0.00000
    140       2.8747      0.00000
    141       3.0449      0.00000
    142       3.0918      0.00000
    143       3.1865      0.00000
    144       3.2391      0.00000
    145       3.2454      0.00000
    146       3.3037      0.00000
    147       3.3686      0.00000
    148       3.4601      0.00000
    149       3.5322      0.00000
    150       3.6977      0.00000
    151       3.7181      0.00000
    152       3.7541      0.00000
    153       3.8347      0.00000
    154       3.8922      0.00000
    155       3.9432      0.00000
    156       3.9848      0.00000
    157       4.0075      0.00000
    158       4.0278      0.00000
    159       4.0475      0.00000
    160       4.0828      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.3879      1.00000
      2     -21.8291      1.00000
      3     -21.6398      1.00000
      4     -21.6049      1.00000
      5     -21.2772      1.00000
      6     -21.2303      1.00000
      7     -21.0550      1.00000
      8     -20.1699      1.00000
      9     -20.1239      1.00000
     10     -19.6154      1.00000
     11     -19.5893      1.00000
     12     -19.4143      1.00000
     13     -19.0932      1.00000
     14     -19.0545      1.00000
     15     -19.0503      1.00000
     16     -19.0374      1.00000
     17     -18.3654      1.00000
     18     -18.3457      1.00000
     19     -18.0155      1.00000
     20     -17.0711      1.00000
     21     -17.0226      1.00000
     22     -16.9485      1.00000
     23     -16.9348      1.00000
     24     -16.4736      1.00000
     25     -16.4617      1.00000
     26     -15.6082      1.00000
     27     -15.6077      1.00000
     28     -15.2488      1.00000
     29     -15.2368      1.00000
     30     -15.1899      1.00000
     31     -15.1000      1.00000
     32     -15.0669      1.00000
     33     -14.6971      1.00000
     34     -14.6962      1.00000
     35     -13.7239      1.00000
     36     -13.7239      1.00000
     37     -13.2340      1.00000
     38     -12.6231      1.00000
     39     -12.5789      1.00000
     40     -12.4532      1.00000
     41     -12.4478      1.00000
     42     -12.1045      1.00000
     43     -12.0995      1.00000
     44     -11.7204      1.00000
     45     -11.6819      1.00000
     46     -11.2445      1.00000
     47     -11.2237      1.00000
     48     -11.0163      1.00000
     49     -11.0046      1.00000
     50     -10.9266      1.00000
     51     -10.8980      1.00000
     52     -10.6349      1.00000
     53     -10.1708      1.00000
     54     -10.1479      1.00000
     55     -10.0835      1.00000
     56      -9.9902      1.00000
     57      -9.6952      1.00000
     58      -9.6887      1.00000
     59      -9.6689      1.00000
     60      -9.5904      1.00000
     61      -9.5668      1.00000
     62      -9.5524      1.00000
     63      -9.3115      1.00000
     64      -9.2989      1.00000
     65      -9.2816      1.00000
     66      -9.2422      1.00000
     67      -9.1208      1.00000
     68      -9.1113      1.00000
     69      -9.1097      1.00000
     70      -8.9381      1.00000
     71      -8.8746      1.00000
     72      -8.6044      1.00000
     73      -8.5860      1.00000
     74      -8.2693      1.00000
     75      -8.1001      1.00000
     76      -7.8672      1.00000
     77      -7.8423      1.00000
     78      -7.7895      1.00000
     79      -7.7638      1.00000
     80      -7.7547      1.00000
     81      -7.4461      1.00000
     82      -7.3337      1.00000
     83      -7.3219      1.00000
     84      -7.2648      1.00000
     85      -7.1617      1.00000
     86      -7.0148      1.00000
     87      -6.9857      1.00000
     88      -6.7164      1.00000
     89      -6.6896      1.00000
     90      -6.6307      1.00000
     91      -6.5900      1.00000
     92      -6.1164      1.00000
     93      -6.0585      1.00000
     94      -6.0436      1.00000
     95      -6.0283      1.00000
     96      -5.7474      1.00000
     97      -4.9734      1.00000
     98      -4.8384      1.00000
     99      -4.7085      1.00000
    100      -4.6731      1.00000
    101      -4.4826      1.00000
    102      -4.3508      1.00000
    103      -4.1109      1.00000
    104      -4.0547      1.00000
    105      -3.7544      1.00000
    106      -3.4644      1.00000
    107      -1.9507      0.00000
    108      -1.7716      0.00000
    109      -1.4799      0.00000
    110      -1.3557      0.00000
    111      -1.3359      0.00000
    112      -1.2921      0.00000
    113      -0.6782      0.00000
    114      -0.4723      0.00000
    115      -0.2359      0.00000
    116       0.0508      0.00000
    117       0.5938      0.00000
    118       0.6918      0.00000
    119       0.7693      0.00000
    120       1.0227      0.00000
    121       1.0966      0.00000
    122       1.1782      0.00000
    123       1.2519      0.00000
    124       1.3396      0.00000
    125       1.4425      0.00000
    126       1.6107      0.00000
    127       1.7556      0.00000
    128       1.8450      0.00000
    129       1.8569      0.00000
    130       1.8904      0.00000
    131       2.0414      0.00000
    132       2.2231      0.00000
    133       2.2448      0.00000
    134       2.2999      0.00000
    135       2.4843      0.00000
    136       2.6177      0.00000
    137       2.6373      0.00000
    138       2.7687      0.00000
    139       2.7984      0.00000
    140       2.8358      0.00000
    141       2.8503      0.00000
    142       2.8511      0.00000
    143       2.9322      0.00000
    144       3.1036      0.00000
    145       3.3207      0.00000
    146       3.3510      0.00000
    147       3.3890      0.00000
    148       3.4114      0.00000
    149       3.4333      0.00000
    150       3.6041      0.00000
    151       3.6439      0.00000
    152       3.6872      0.00000
    153       3.7394      0.00000
    154       3.9030      0.00000
    155       3.9332      0.00000
    156       3.9577      0.00000
    157       4.1086      0.00000
    158       4.2121      0.00000
    159       4.2701      0.00000
    160       4.2887      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2079      1.00000
      2     -22.1174      1.00000
      3     -21.9550      1.00000
      4     -21.4030      1.00000
      5     -21.0445      1.00000
      6     -21.0162      1.00000
      7     -20.4944      1.00000
      8     -20.4646      1.00000
      9     -20.2846      1.00000
     10     -20.2828      1.00000
     11     -19.9551      1.00000
     12     -19.8921      1.00000
     13     -18.8819      1.00000
     14     -18.8144      1.00000
     15     -18.3364      1.00000
     16     -18.3172      1.00000
     17     -18.1478      1.00000
     18     -18.1402      1.00000
     19     -17.8145      1.00000
     20     -17.7964      1.00000
     21     -17.2568      1.00000
     22     -17.2374      1.00000
     23     -17.1594      1.00000
     24     -17.1342      1.00000
     25     -16.1145      1.00000
     26     -15.8792      1.00000
     27     -15.8681      1.00000
     28     -15.8392      1.00000
     29     -15.2302      1.00000
     30     -14.5497      1.00000
     31     -14.5313      1.00000
     32     -14.2750      1.00000
     33     -13.9736      1.00000
     34     -13.9499      1.00000
     35     -13.8236      1.00000
     36     -13.8014      1.00000
     37     -13.6031      1.00000
     38     -13.5777      1.00000
     39     -13.3683      1.00000
     40     -12.6369      1.00000
     41     -12.1680      1.00000
     42     -12.1416      1.00000
     43     -12.0667      1.00000
     44     -12.0199      1.00000
     45     -11.6638      1.00000
     46     -11.6590      1.00000
     47     -11.1357      1.00000
     48     -11.1249      1.00000
     49     -10.7893      1.00000
     50     -10.7332      1.00000
     51     -10.5332      1.00000
     52     -10.2071      1.00000
     53     -10.2010      1.00000
     54     -10.1689      1.00000
     55     -10.0214      1.00000
     56      -9.9927      1.00000
     57      -9.9889      1.00000
     58      -9.8039      1.00000
     59      -9.7948      1.00000
     60      -9.7636      1.00000
     61      -9.7560      1.00000
     62      -9.4535      1.00000
     63      -9.4157      1.00000
     64      -9.0835      1.00000
     65      -9.0447      1.00000
     66      -9.0240      1.00000
     67      -8.9695      1.00000
     68      -8.8963      1.00000
     69      -8.7071      1.00000
     70      -8.6981      1.00000
     71      -8.5594      1.00000
     72      -8.5485      1.00000
     73      -8.4765      1.00000
     74      -8.4590      1.00000
     75      -8.4558      1.00000
     76      -8.3067      1.00000
     77      -8.0937      1.00000
     78      -8.0880      1.00000
     79      -7.9251      1.00000
     80      -7.8307      1.00000
     81      -7.5996      1.00000
     82      -7.5371      1.00000
     83      -7.4430      1.00000
     84      -7.3135      1.00000
     85      -6.9928      1.00000
     86      -6.9184      1.00000
     87      -6.8808      1.00000
     88      -6.5278      1.00000
     89      -6.5140      1.00000
     90      -6.4805      1.00000
     91      -6.4194      1.00000
     92      -5.9260      1.00000
     93      -5.9047      1.00000
     94      -5.7880      1.00000
     95      -5.7738      1.00000
     96      -5.3687      1.00000
     97      -5.3619      1.00000
     98      -5.2200      1.00000
     99      -5.2147      1.00000
    100      -5.1977      1.00000
    101      -4.7191      1.00000
    102      -4.4411      1.00000
    103      -4.1898      1.00000
    104      -3.8195      1.00000
    105      -3.5640      1.00000
    106      -3.2211      1.00000
    107      -2.5628      0.00000
    108      -1.4632      0.00000
    109      -1.2666      0.00000
    110      -1.1857      0.00000
    111      -1.1839      0.00000
    112      -0.6448      0.00000
    113      -0.5517      0.00000
    114      -0.4152      0.00000
    115      -0.3477      0.00000
    116      -0.0777      0.00000
    117      -0.0635      0.00000
    118       0.1253      0.00000
    119       0.5923      0.00000
    120       0.6262      0.00000
    121       0.8607      0.00000
    122       0.9921      0.00000
    123       1.0078      0.00000
    124       1.4981      0.00000
    125       1.6907      0.00000
    126       1.7846      0.00000
    127       1.8726      0.00000
    128       2.1233      0.00000
    129       2.1253      0.00000
    130       2.1841      0.00000
    131       2.2096      0.00000
    132       2.2515      0.00000
    133       2.3426      0.00000
    134       2.4967      0.00000
    135       2.5004      0.00000
    136       2.6746      0.00000
    137       2.8519      0.00000
    138       2.8605      0.00000
    139       2.9613      0.00000
    140       3.0185      0.00000
    141       3.0522      0.00000
    142       3.1427      0.00000
    143       3.1752      0.00000
    144       3.2506      0.00000
    145       3.2629      0.00000
    146       3.2838      0.00000
    147       3.3085      0.00000
    148       3.3601      0.00000
    149       3.4261      0.00000
    150       3.5582      0.00000
    151       3.5726      0.00000
    152       3.6547      0.00000
    153       3.6654      0.00000
    154       3.6866      0.00000
    155       3.7175      0.00000
    156       3.9033      0.00000
    157       3.9706      0.00000
    158       4.0483      0.00000
    159       4.0921      0.00000
    160       4.1994      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -22.2815      1.00000
      2     -22.0770      1.00000
      3     -21.7186      1.00000
      4     -21.6795      1.00000
      5     -20.9811      1.00000
      6     -20.9336      1.00000
      7     -20.6097      1.00000
      8     -20.5777      1.00000
      9     -20.5642      1.00000
     10     -20.0308      1.00000
     11     -19.5118      1.00000
     12     -19.4819      1.00000
     13     -19.3100      1.00000
     14     -19.2969      1.00000
     15     -18.4482      1.00000
     16     -18.4053      1.00000
     17     -17.9262      1.00000
     18     -17.9059      1.00000
     19     -17.7646      1.00000
     20     -17.7198      1.00000
     21     -17.4404      1.00000
     22     -17.4220      1.00000
     23     -17.3373      1.00000
     24     -16.4696      1.00000
     25     -16.4595      1.00000
     26     -15.9686      1.00000
     27     -15.4097      1.00000
     28     -15.4087      1.00000
     29     -15.0947      1.00000
     30     -15.0916      1.00000
     31     -14.8523      1.00000
     32     -14.8401      1.00000
     33     -14.2965      1.00000
     34     -14.2527      1.00000
     35     -13.4431      1.00000
     36     -13.3992      1.00000
     37     -13.1742      1.00000
     38     -13.1727      1.00000
     39     -12.9837      1.00000
     40     -12.9748      1.00000
     41     -12.6099      1.00000
     42     -12.6078      1.00000
     43     -12.1955      1.00000
     44     -11.5783      1.00000
     45     -11.5373      1.00000
     46     -11.3122      1.00000
     47     -11.2820      1.00000
     48     -11.1408      1.00000
     49     -10.6913      1.00000
     50     -10.6621      1.00000
     51     -10.5450      1.00000
     52     -10.3209      1.00000
     53     -10.3133      1.00000
     54     -10.1740      1.00000
     55     -10.1204      1.00000
     56     -10.1073      1.00000
     57      -9.8098      1.00000
     58      -9.7509      1.00000
     59      -9.7508      1.00000
     60      -9.7008      1.00000
     61      -9.6972      1.00000
     62      -9.6452      1.00000
     63      -9.3514      1.00000
     64      -9.3499      1.00000
     65      -9.3171      1.00000
     66      -9.0261      1.00000
     67      -8.9605      1.00000
     68      -8.9567      1.00000
     69      -8.7740      1.00000
     70      -8.5911      1.00000
     71      -8.5864      1.00000
     72      -8.4223      1.00000
     73      -8.3484      1.00000
     74      -8.3217      1.00000
     75      -8.3014      1.00000
     76      -8.2651      1.00000
     77      -8.2541      1.00000
     78      -8.2387      1.00000
     79      -7.9203      1.00000
     80      -7.7328      1.00000
     81      -7.3784      1.00000
     82      -7.3485      1.00000
     83      -7.3227      1.00000
     84      -7.2163      1.00000
     85      -7.1589      1.00000
     86      -7.0643      1.00000
     87      -6.9594      1.00000
     88      -6.9042      1.00000
     89      -6.6136      1.00000
     90      -6.5554      1.00000
     91      -6.2713      1.00000
     92      -5.9958      1.00000
     93      -5.9585      1.00000
     94      -5.6741      1.00000
     95      -5.6475      1.00000
     96      -5.3868      1.00000
     97      -5.3146      1.00000
     98      -5.2930      1.00000
     99      -5.2111      1.00000
    100      -5.1996      1.00000
    101      -4.5103      1.00000
    102      -4.3372      1.00000
    103      -3.9954      1.00000
    104      -3.8851      1.00000
    105      -3.7921      1.00000
    106      -3.4424      1.00000
    107      -2.0346      0.00000
    108      -1.8639      0.00000
    109      -1.2177      0.00000
    110      -1.1835      0.00000
    111      -1.0361      0.00000
    112      -0.7726      0.00000
    113      -0.6775      0.00000
    114      -0.6601      0.00000
    115      -0.6095      0.00000
    116      -0.1024      0.00000
    117       0.2224      0.00000
    118       0.2392      0.00000
    119       0.7760      0.00000
    120       0.9892      0.00000
    121       1.0747      0.00000
    122       1.2420      0.00000
    123       1.2519      0.00000
    124       1.3459      0.00000
    125       1.5811      0.00000
    126       1.5845      0.00000
    127       1.7160      0.00000
    128       1.7979      0.00000
    129       1.9554      0.00000
    130       1.9787      0.00000
    131       2.0654      0.00000
    132       2.2754      0.00000
    133       2.3419      0.00000
    134       2.4260      0.00000
    135       2.5524      0.00000
    136       2.6338      0.00000
    137       2.7461      0.00000
    138       2.8116      0.00000
    139       2.8512      0.00000
    140       2.8752      0.00000
    141       3.0547      0.00000
    142       3.1085      0.00000
    143       3.1653      0.00000
    144       3.2297      0.00000
    145       3.3772      0.00000
    146       3.4183      0.00000
    147       3.5154      0.00000
    148       3.5647      0.00000
    149       3.5921      0.00000
    150       3.6163      0.00000
    151       3.6587      0.00000
    152       3.7412      0.00000
    153       3.7534      0.00000
    154       3.7731      0.00000
    155       3.7969      0.00000
    156       3.8765      0.00000
    157       4.0238      0.00000
    158       4.0966      0.00000
    159       4.1787      0.00000
    160       4.2226      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   204.0431   -7.3909    4.1985   -1.2758   -0.2386   17.5949    0.1469   -0.5324    0.6339   -0.4651
x    -3.0918   -0.0374   -0.0632    0.0617   -0.0093   -2.9775   -0.0108   -0.0070    0.0049    0.0016
x    -0.0965    0.0017   -0.0013    0.0004    0.0003   -0.0236   -0.0001   -0.0001    0.0000    0.0001
x    -0.0035    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   204.0431    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0000    0.0002    0.0005    0.0007   -0.0941   -0.0088    0.0374    0.0378
y    -0.0459   -3.2471   -0.5377   -0.1638   -1.1812   -0.6055
z   204.0431    1.1261   -0.2815    0.0411    0.0088    0.0617    0.0004    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0774    0.0012   -0.0003    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0007    0.0000    0.0000    0.0000
z     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.1456
z    -0.2813    0.1885   -0.0395    0.0469   -0.1053    0.0013
 total charge-density along one line
x   212.0000  -10.2211    6.1466   -2.0858   -0.4744   19.5118   -0.9964    0.4744   -0.0450   -0.1261
x    -2.6449   -0.0277   -0.0610    0.0846   -0.0533   -2.2247   -0.0248   -0.0026    0.0052    0.0021
x    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
x    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   212.0000  -10.2211    6.1466   -2.0858   -0.4744   19.5118   -0.9964    0.4744   -0.0450   -0.1261
y    -2.6449   -0.0277   -0.0610    0.0846   -0.0533   -2.2247   -0.0248   -0.0026    0.0052    0.0021
y    -0.0896    0.0059   -0.0050    0.0027   -0.0007   -0.0354   -0.0002   -0.0003    0.0003   -0.0002
y    -0.0056    0.0000   -0.0001    0.0000    0.0000    0.0013   -0.0001    0.0002   -0.0002    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0005    0.0001    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   212.0000 -205.4863  189.2748 -170.3459  153.6346 -139.4284  125.4244 -110.1031   93.9468  -78.3254
z    64.1116  -51.4576   40.3951  -31.1972   24.1108  -18.9357   15.0245  -11.7098    8.7036   -6.1100
z     4.1231   -2.7546    1.8188   -1.1084    0.5375   -0.1259   -0.1111    0.2274   -0.3097    0.4012
z    -0.4775    0.4930   -0.4387    0.3534   -0.2852    0.2511   -0.2335    0.2086   -0.1705    0.1313
z    -0.1035    0.0880   -0.0767    0.0635   -0.0488    0.0372   -0.0308    0.0276   -0.0242    0.0196
z    -0.0150    0.0119   -0.0101    0.0088   -0.0073    0.0057   -0.0043    0.0033   -0.0024    0.0016
z    -0.0011    0.0008   -0.0006    0.0002    0.0002   -0.0004    0.0004   -0.0002    0.0001   -0.0002
z     0.0003   -0.0003    0.0001    0.0000   -0.0001    0.0000    0.0000    0.0001   -0.0001    0.0001
z    -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.840   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.840   0.000  -0.052   0.000   0.005   0.186   0.000   0.007
  0.000 -11.005   0.000   0.131   0.000   0.000   0.207   0.000
 -0.052   0.000 -11.102   0.000   0.030   0.007   0.000   0.219
  0.000   0.131   0.000 -11.156   0.000   0.000  -0.015   0.000
  0.005   0.000   0.030   0.000 -10.835  -0.001   0.000  -0.004
  0.186   0.000   0.007   0.000  -0.001   0.177   0.000  -0.001
  0.000   0.207   0.000  -0.015   0.000   0.000   0.174   0.000
  0.007   0.000   0.219   0.000  -0.004  -0.001   0.000   0.173
  0.000  -0.015   0.000   0.224   0.000   0.000   0.002   0.000
 -0.001   0.000  -0.004   0.000   0.186   0.000   0.000   0.000
 -0.050   0.000   0.086   0.000   0.029   0.003   0.000  -0.005
  0.003   0.000  -0.005   0.000  -0.002   0.000   0.000   0.000
  0.000  -0.029   0.000  -0.005   0.000   0.000   0.002   0.000
 -0.005   0.000  -0.028   0.000   0.003   0.000   0.000   0.002
  0.000  -0.005   0.000  -0.024   0.000   0.000   0.000   0.000
  0.000   0.023   0.000   0.004   0.000   0.000  -0.002   0.000
  0.004   0.000   0.022   0.000  -0.002   0.000   0.000  -0.002
  0.000   0.004   0.000   0.018   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.938   0.000   0.051   0.000   0.008   0.056   0.000  -0.069   0.000  -0.025   0.078  -0.017   0.000  -0.041   0.000   0.000
  0.000   1.811   0.000   0.212   0.000   0.000   0.269   0.000  -0.311   0.000   0.000   0.000   0.034   0.000  -0.116  -0.047
  0.051   0.000   1.797   0.000  -0.024  -0.052   0.000   0.301   0.000   0.028  -0.191  -0.030   0.000   0.095   0.000   0.000
  0.000   0.212   0.000   1.566   0.000   0.000  -0.311   0.000   0.629   0.000   0.000   0.000  -0.118   0.000   0.171  -0.009
  0.008   0.000  -0.024   0.000   1.953  -0.025   0.000   0.037   0.000   0.026  -0.051   0.010   0.000   0.026   0.000   0.000
  0.056   0.000  -0.052   0.000  -0.025   0.079   0.000  -0.131   0.000  -0.034  -0.281   0.082   0.000  -0.094   0.000   0.000
  0.000   0.269   0.000  -0.311   0.000   0.000   0.157   0.000  -0.191   0.000   0.000   0.000   0.011   0.000  -0.051  -0.005
 -0.069   0.000   0.301   0.000   0.037  -0.131   0.000   0.413   0.000   0.077   0.584  -0.238   0.000   0.059   0.000   0.000
  0.000  -0.311   0.000   0.629   0.000   0.000  -0.191   0.000   0.378   0.000   0.000   0.000  -0.051   0.000   0.069   0.006
 -0.025   0.000   0.028   0.000   0.026  -0.034   0.000   0.077   0.000   0.040   0.164  -0.047   0.000   0.053   0.000   0.000
  0.078   0.000  -0.191   0.000  -0.051  -0.281   0.000   0.584   0.000   0.164   1.369  -0.419   0.000   0.283   0.000   0.000
 -0.017   0.000  -0.030   0.000   0.010   0.082   0.000  -0.238   0.000  -0.047  -0.419   0.175   0.000  -0.034   0.000   0.000
  0.000   0.034   0.000  -0.118   0.000   0.000   0.011   0.000  -0.051   0.000   0.000   0.000   0.028   0.000  -0.035  -0.001
 -0.041   0.000   0.095   0.000   0.026  -0.094   0.000   0.059   0.000   0.053   0.283  -0.034   0.000   0.263   0.000   0.000
  0.000  -0.116   0.000   0.171   0.000   0.000  -0.051   0.000   0.069   0.000   0.000   0.000  -0.035   0.000   0.069   0.003
  0.000  -0.047   0.000  -0.009   0.000   0.000  -0.005   0.000   0.006   0.000   0.000   0.000  -0.001   0.000   0.003   0.001
 -0.006   0.000  -0.046   0.000   0.003   0.005   0.000  -0.009   0.000  -0.003  -0.009   0.001   0.000  -0.014   0.000   0.000
  0.000  -0.009   0.000  -0.037   0.000   0.000   0.006   0.000  -0.012   0.000   0.000   0.000   0.003   0.000  -0.005   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.261   8.029   8.934
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.783   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.781   0.000   2.645
 22        0.864   1.771   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.781   0.000   2.645
 33        0.864   1.782   0.000   2.645
 34        0.864   1.783   0.000   2.646
 35        0.864   1.781   0.000   2.645
 36        0.864   1.771   0.000   2.634
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.783   0.000   2.647
 40        0.863   1.785   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.784   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.866  89.418   8.029 142.314
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------


    CHARGE:  VPU time  113.59: CPU time   57.47
    FORLOC:  VPU time    1.25: CPU time    1.25
    FORNL :  VPU time  449.27: CPU time  225.55
    STRESS:  VPU time 1345.55: CPU time  676.81
    FORCOR:  VPU time    8.66: CPU time    8.66
    FORHAR:  VPU time    2.27: CPU time    2.27
    MIXING:  VPU time    0.18: CPU time    0.19
 d Force = 0.3125612E-04[ 0.255E-04, 0.371E-04]  d Energy = 0.3490886E-04-0.365E-05
 d Force = 0.1071466E+01[ 0.107E+01, 0.107E+01]  d Ewald  = 0.3333268E+01-0.226E+01


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -471.726504 eV

  energy  without entropy=     -471.726504  energy(sigma->0) =     -471.726504
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     93.93     93.93     93.93
  Ewald    40828.68  40783.54 -47527.00    -39.09      0.00      0.00
  Hartree  40253.45  40234.41 -39512.16    -16.49      0.00      0.00
  E(xc)     -779.42   -779.71   -807.35     -0.25      0.00      0.00
  Local   -83366.23 -83311.01  84353.97     47.82      0.00      0.00
  n-local   -216.79   -215.66   -203.38      0.71      0.00      0.00
  augment     20.06     22.05     17.82      1.72      0.00      0.00
  Kinetic   3162.24   3175.89   3583.84      3.47      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.34     -0.28     -0.33      0.05      0.00      0.00
  in kB       -0.21     -0.17     -0.20      0.03      0.00      0.00
  external pressure =       -0.19 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.346375904  0.000719322  0.000000000     0.080992704  0.046754935  0.000000000
    -6.172571644 10.692630916  0.000000000    -0.000005449  0.093519207  0.000000000
     0.000000000  0.000000000 19.982337467     0.000000000  0.000000000  0.050044195

  length of vectors
    12.346375925 12.346375849 19.982337467     0.093519207  0.093519208  0.050044195


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.475E-05 -.491E-04 -.951E+03   0.447E-05 -.278E-04 0.960E+03   -.170E-20 0.759E-24 -.870E+01   -.153E-07 0.522E-09 0.223E-01
   0.322E+02 -.186E+02 -.135E+03   -.338E+02 0.195E+02 0.137E+03   0.154E+01 -.891E+00 -.253E+01   0.531E-03 -.307E-03 -.178E-02
   -.322E+02 0.186E+02 -.135E+03   0.338E+02 -.195E+02 0.137E+03   -.154E+01 0.891E+00 -.253E+01   -.531E-03 0.307E-03 -.178E-02
   -.206E+01 0.119E+01 0.162E+02   0.206E+01 -.119E+01 -.162E+02   -.307E-02 0.177E-02 -.242E-01   0.315E-03 -.185E-03 -.919E-04
   0.617E+01 0.684E+01 0.193E+02   -.618E+01 -.686E+01 -.193E+02   0.451E-03 0.212E-01 -.276E-01   -.134E-02 0.168E-02 0.460E-03
   0.112E+02 0.510E+01 0.161E+02   -.112E+02 -.510E+01 -.161E+02   0.211E-01 0.705E-02 -.488E-01   -.664E-03 -.258E-03 0.137E-02
   0.471E+01 -.880E+00 0.126E+02   -.472E+01 0.887E+00 -.126E+02   0.159E-01 -.858E-02 -.170E-01   -.269E-03 0.864E-04 0.194E-02
   -.310E+01 -.252E+01 0.126E+02   0.310E+01 0.251E+01 -.126E+02   0.210E-02 0.171E-02 -.125E-01   0.751E-04 -.682E-04 0.650E-03
   0.630E+00 0.394E+01 0.126E+02   -.627E+00 -.394E+01 -.126E+02   -.429E-03 -.267E-02 -.125E-01   0.911E-04 -.371E-04 0.647E-03
   0.241E+01 0.189E+02 0.240E+02   -.241E+01 -.190E+02 -.240E+02   -.122E-03 0.102E+00 -.484E-01   -.127E-02 -.196E-02 0.184E-02
   0.226E+02 0.214E+02 0.423E+02   -.227E+02 -.216E+02 -.423E+02   0.792E-01 0.260E+00 -.599E-01   0.618E-03 -.114E-02 0.354E-02
   0.268E+02 -.343E+01 0.256E+02   -.271E+02 0.354E+01 -.256E+02   0.267E+00 -.109E+00 -.346E-01   -.173E-02 0.789E-03 0.199E-02
   0.914E+01 -.528E+01 0.135E+02   -.918E+01 0.530E+01 -.135E+02   0.435E-01 -.251E-01 -.138E-01   -.584E-03 0.331E-03 0.643E-04
   0.312E+01 -.364E+01 0.126E+02   -.313E+01 0.365E+01 -.126E+02   0.154E-01 -.948E-02 -.170E-01   -.211E-03 0.185E-03 0.193E-02
   -.593E+01 0.136E+02 0.162E+02   0.593E+01 -.137E+02 -.161E+02   -.132E-02 0.717E-01 -.514E-01   0.254E-03 0.717E-04 0.191E-02
   -.118E+02 0.362E+02 0.479E+02   0.119E+02 -.368E+02 -.482E+02   -.294E-01 0.611E+00 0.297E+00   0.205E-03 -.798E-03 0.274E-02
   0.236E+02 -.136E+02 0.938E+02   -.242E+02 0.140E+02 -.959E+02   0.637E+00 -.368E+00 0.204E+01   -.253E-02 0.146E-02 -.659E-03
   0.164E+02 -.215E+02 0.256E+02   -.166E+02 0.217E+02 -.256E+02   0.228E+00 -.176E+00 -.346E-01   -.155E-02 0.109E-02 0.198E-02
   0.117E+01 -.122E+02 0.161E+02   -.118E+01 0.122E+02 -.161E+02   0.444E-02 -.218E-01 -.488E-01   -.105E-03 0.703E-03 0.137E-02
   -.416E+01 0.193E+01 0.116E+02   0.416E+01 -.194E+01 -.116E+02   0.956E-03 0.917E-02 -.432E-01   0.151E-04 0.698E-04 0.851E-03
   -.193E+02 0.111E+02 0.217E+02   0.193E+02 -.111E+02 -.216E+02   -.530E-01 0.306E-01 -.443E-01   -.921E-04 0.569E-04 0.645E-03
   -.372E+02 -.783E+01 0.479E+02   0.378E+02 0.811E+01 -.482E+02   -.544E+00 -.280E+00 0.297E+00   0.796E-03 0.221E-03 0.275E-02
   -.720E+01 -.303E+02 0.423E+02   0.739E+01 0.304E+02 -.423E+02   -.185E+00 -.198E+00 -.599E-01   0.130E-02 0.310E-04 0.354E-02
   -.284E+01 -.877E+01 0.193E+02   0.285E+01 0.878E+01 -.193E+02   -.181E-01 -.110E-01 -.276E-01   -.213E-02 0.315E-03 0.459E-03
   0.138E+01 -.797E+00 0.134E+02   -.138E+01 0.797E+00 -.134E+02   0.248E-02 -.143E-02 -.188E-01   -.111E-03 0.663E-04 0.589E-04
   -.375E+01 0.264E+01 0.116E+02   0.376E+01 -.263E+01 -.116E+02   -.747E-02 -.541E-02 -.432E-01   -.510E-04 -.432E-04 0.855E-03
   -.148E+02 -.168E+01 0.162E+02   0.148E+02 0.171E+01 -.161E+02   -.627E-01 -.347E-01 -.514E-01   0.668E-04 -.258E-03 0.192E-02
   -.151E+02 -.115E+02 0.240E+02   0.152E+02 0.116E+02 -.240E+02   -.884E-01 -.509E-01 -.484E-01   0.106E-02 0.208E-02 0.184E-02
   0.284E+01 0.877E+01 0.193E+02   -.285E+01 -.878E+01 -.193E+02   0.181E-01 0.110E-01 -.276E-01   0.213E-02 -.315E-03 0.459E-03
   0.151E+02 0.115E+02 0.240E+02   -.152E+02 -.116E+02 -.240E+02   0.884E-01 0.509E-01 -.484E-01   -.106E-02 -.208E-02 0.184E-02
   0.148E+02 0.168E+01 0.162E+02   -.148E+02 -.171E+01 -.161E+02   0.627E-01 0.347E-01 -.514E-01   -.669E-04 0.258E-03 0.192E-02
   0.375E+01 -.264E+01 0.116E+02   -.376E+01 0.263E+01 -.116E+02   0.747E-02 0.541E-02 -.432E-01   0.510E-04 0.432E-04 0.855E-03
   -.138E+01 0.797E+00 0.134E+02   0.138E+01 -.797E+00 -.134E+02   -.248E-02 0.143E-02 -.188E-01   0.111E-03 -.663E-04 0.589E-04
   -.117E+01 0.122E+02 0.161E+02   0.118E+01 -.122E+02 -.161E+02   -.444E-02 0.218E-01 -.488E-01   0.105E-03 -.703E-03 0.137E-02
   0.720E+01 0.303E+02 0.423E+02   -.739E+01 -.304E+02 -.423E+02   0.185E+00 0.198E+00 -.599E-01   -.130E-02 -.310E-04 0.354E-02
   0.372E+02 0.783E+01 0.479E+02   -.378E+02 -.811E+01 -.482E+02   0.544E+00 0.280E+00 0.297E+00   -.796E-03 -.221E-03 0.275E-02
   0.193E+02 -.111E+02 0.217E+02   -.193E+02 0.111E+02 -.216E+02   0.530E-01 -.306E-01 -.443E-01   0.921E-04 -.569E-04 0.645E-03
   0.416E+01 -.193E+01 0.116E+02   -.416E+01 0.194E+01 -.116E+02   -.956E-03 -.917E-02 -.432E-01   -.152E-04 -.697E-04 0.851E-03
   -.312E+01 0.364E+01 0.126E+02   0.313E+01 -.364E+01 -.126E+02   -.154E-01 0.948E-02 -.170E-01   0.211E-03 -.185E-03 0.193E-02
   -.164E+02 0.215E+02 0.256E+02   0.166E+02 -.217E+02 -.256E+02   -.228E+00 0.176E+00 -.346E-01   0.155E-02 -.109E-02 0.198E-02
   -.236E+02 0.136E+02 0.938E+02   0.242E+02 -.140E+02 -.959E+02   -.637E+00 0.368E+00 0.204E+01   0.253E-02 -.146E-02 -.659E-03
   0.118E+02 -.362E+02 0.479E+02   -.119E+02 0.368E+02 -.482E+02   0.294E-01 -.611E+00 0.297E+00   -.205E-03 0.798E-03 0.274E-02
   0.593E+01 -.136E+02 0.162E+02   -.593E+01 0.137E+02 -.161E+02   0.132E-02 -.717E-01 -.514E-01   -.254E-03 -.717E-04 0.191E-02
   -.630E+00 -.394E+01 0.126E+02   0.627E+00 0.394E+01 -.126E+02   0.429E-03 0.267E-02 -.125E-01   -.911E-04 0.371E-04 0.647E-03
   -.914E+01 0.528E+01 0.135E+02   0.918E+01 -.530E+01 -.135E+02   -.435E-01 0.251E-01 -.138E-01   0.584E-03 -.331E-03 0.643E-04
   -.268E+02 0.343E+01 0.256E+02   0.271E+02 -.354E+01 -.256E+02   -.267E+00 0.109E+00 -.346E-01   0.173E-02 -.789E-03 0.199E-02
   -.226E+02 -.214E+02 0.423E+02   0.227E+02 0.216E+02 -.423E+02   -.792E-01 -.260E+00 -.599E-01   -.618E-03 0.114E-02 0.354E-02
   -.241E+01 -.189E+02 0.240E+02   0.241E+01 0.190E+02 -.240E+02   0.122E-03 -.102E+00 -.484E-01   0.127E-02 0.196E-02 0.184E-02
   0.206E+01 -.119E+01 0.162E+02   -.206E+01 0.119E+01 -.162E+02   0.307E-02 -.177E-02 -.242E-01   -.315E-03 0.185E-03 -.919E-04
   0.310E+01 0.252E+01 0.126E+02   -.310E+01 -.251E+01 -.126E+02   -.210E-02 -.171E-02 -.125E-01   -.751E-04 0.682E-04 0.650E-03
   -.471E+01 0.880E+00 0.126E+02   0.472E+01 -.888E+00 -.126E+02   -.159E-01 0.858E-02 -.170E-01   0.269E-03 -.864E-04 0.194E-02
   -.112E+02 -.510E+01 0.161E+02   0.112E+02 0.510E+01 -.161E+02   -.211E-01 -.705E-02 -.488E-01   0.664E-03 0.258E-03 0.137E-02
   -.617E+01 -.684E+01 0.193E+02   0.618E+01 0.686E+01 -.193E+02   -.451E-03 -.212E-01 -.276E-01   0.134E-02 -.168E-02 0.460E-03
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.291E-03 0.998E+01   -.277E-12 -.139E-12 -.288E-12   -.439E-15 -.260E-15 -.101E+02   -.280E-07 0.136E-07 0.879E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85231      6.05947     12.26413         0.000000      0.000000      0.008508
      1.07508      6.50820     13.52339         0.000940     -0.000542      0.009842
      2.62953      5.61074     13.52339        -0.000940      0.000542      0.009842
      0.00011     -0.00007      9.90885        -0.000668      0.000386      0.000459
     -1.23482      2.13707      9.90746        -0.002130      0.000469     -0.000122
     -2.47020      4.27681      9.92736         0.002020     -0.000218     -0.001136
     -3.70402      6.41570      9.93498         0.000750     -0.000809     -0.000327
     -4.93793      8.55412      9.92568         0.003623     -0.001234     -0.000019
      2.46932      0.00002      9.92568         0.002880     -0.002521     -0.000019
      1.23400      2.13692      9.91685         0.001724     -0.001625     -0.001128
     -0.00268      4.27125      9.92915         0.002734     -0.002347     -0.001765
     -1.23841      6.41630      9.95145        -0.002673      0.000275     -0.001697
     -2.46916      8.55447      9.93711        -0.000013      0.000008     -0.000458
      4.93821      0.00064      9.93498         0.001075     -0.000245     -0.000327
      3.70447      2.13690      9.93829        -0.000162      0.001428     -0.001204
      2.47008      4.26888      9.96567         0.001146      0.000226      0.000169
      1.22918      6.41923      9.97231         0.001757     -0.001014      0.001459
     -0.00208      8.55769      9.95145        -0.001575      0.002178     -0.001697
      7.40745      0.00157      9.92736         0.001199     -0.001641     -0.001136
      6.17303      2.13902      9.93370         0.002246     -0.001261     -0.000007
      4.93948      4.27709      9.94653        -0.003278      0.001893     -0.000898
      3.71189      6.41976      9.96567         0.000377     -0.001105      0.000169
      2.47346      8.56005      9.92915         0.003399     -0.001195     -0.001765
      9.87821      0.00157      9.90746        -0.001471      0.001610     -0.000122
      8.64245      2.13918      9.91870         0.002113     -0.001220     -0.000185
      7.40788      4.27785      9.93370         0.002215     -0.001315     -0.000007
      6.17543      6.41674      9.93829        -0.001318     -0.000574     -0.001204
      4.94018      8.55621      9.91685         0.002269     -0.000681     -0.001128
     -0.00103      1.42474      9.90746         0.001471     -0.001610     -0.000122
     -1.23557      3.56273      9.91685        -0.002269      0.000681     -0.001128
     -2.47082      5.70220      9.93829         0.001318      0.000574     -0.001204
     -3.70327      7.84109      9.93370        -0.002215      0.001315     -0.000007
     -4.93783      9.97976      9.91870        -0.002113      0.001220     -0.000185
      2.46973      1.42473      9.92736        -0.001199      0.001641     -0.001136
      1.23116      3.55889      9.92915        -0.003399      0.001195     -0.001765
     -0.00727      5.69918      9.96567        -0.000377      0.001105      0.000169
     -1.23487      7.84185      9.94653         0.003278     -0.001893     -0.000898
     -2.46841      9.97992      9.93370        -0.002246      0.001261     -0.000007
      4.93897      1.42566      9.93498        -0.001075      0.000245     -0.000327
      3.70669      3.56125      9.95145         0.001575     -0.002178     -0.001697
      2.47543      5.69971      9.97231        -0.001757      0.001014      0.001459
      1.23454      7.85006      9.96567        -0.001146     -0.000226      0.000169
      0.00014      9.98204      9.93829         0.000162     -0.001428     -0.001204
      7.40786      1.42629      9.92568        -0.002880      0.002521     -0.000019
      6.17378      3.56447      9.93711         0.000013     -0.000008     -0.000458
      4.94302      5.70264      9.95145         0.002673     -0.000275     -0.001697
      3.70729      7.84769      9.92915        -0.002734      0.002347     -0.001765
      2.47061      9.98202      9.91685        -0.001724      0.001625     -0.001128
      9.87707      1.42637      9.90885         0.000668     -0.000386      0.000459
      8.64254      3.56481      9.92568        -0.003623      0.001234     -0.000019
      7.40863      5.70324      9.93498        -0.000750      0.000809     -0.000327
      6.17482      7.84213      9.92736        -0.002020      0.000218     -0.001136
      4.93943      9.98187      9.90746         0.002130     -0.000469     -0.000122
 -----------------------------------------------------------------------------------
    total drift:                               -0.001805      0.000291      0.005715


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


  
 reached required accuracy - stopping structural energy minimisation
 writing wavefunctions
     LOOP+:  VPU time 5250.21: CPU time 2729.59
 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.644   0.261   8.029   8.934
  2        0.521   0.027   0.000   0.548
  3        0.521   0.027   0.000   0.548
  4        0.864   1.783   0.000   2.647
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.783   0.000   2.647
  8        0.864   1.782   0.000   2.646
  9        0.864   1.783   0.000   2.647
 10        0.864   1.784   0.000   2.648
 11        0.864   1.783   0.000   2.647
 12        0.863   1.785   0.000   2.648
 13        0.864   1.783   0.000   2.647
 14        0.864   1.783   0.000   2.647
 15        0.864   1.784   0.000   2.648
 16        0.864   1.774   0.000   2.638
 17        0.860   1.780   0.000   2.640
 18        0.863   1.785   0.000   2.649
 19        0.864   1.783   0.000   2.646
 20        0.864   1.783   0.000   2.647
 21        0.864   1.781   0.000   2.645
 22        0.864   1.771   0.000   2.634
 23        0.864   1.781   0.000   2.645
 24        0.864   1.783   0.000   2.647
 25        0.864   1.782   0.000   2.645
 26        0.864   1.781   0.000   2.645
 27        0.864   1.783   0.000   2.647
 28        0.864   1.784   0.000   2.648
 29        0.864   1.783   0.000   2.647
 30        0.864   1.784   0.000   2.648
 31        0.864   1.783   0.000   2.647
 32        0.864   1.781   0.000   2.645
 33        0.864   1.782   0.000   2.645
 34        0.864   1.783   0.000   2.646
 35        0.864   1.781   0.000   2.645
 36        0.864   1.771   0.000   2.634
 37        0.864   1.781   0.000   2.645
 38        0.864   1.783   0.000   2.647
 39        0.864   1.783   0.000   2.647
 40        0.863   1.785   0.000   2.649
 41        0.860   1.780   0.000   2.640
 42        0.864   1.774   0.000   2.638
 43        0.864   1.784   0.000   2.648
 44        0.864   1.783   0.000   2.647
 45        0.864   1.783   0.000   2.647
 46        0.863   1.785   0.000   2.648
 47        0.864   1.783   0.000   2.647
 48        0.864   1.784   0.000   2.648
 49        0.864   1.783   0.000   2.647
 50        0.864   1.782   0.000   2.646
 51        0.864   1.783   0.000   2.647
 52        0.864   1.782   0.000   2.646
 53        0.864   1.784   0.000   2.648
------------------------------------------------
tot       44.866  89.418   8.029 142.314
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 
 BZINTS: Fermi energy: -3.206843;212.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):   256889.290
                            User time (sec):   250398.560
                          System time (sec):     6490.730
                         Elapsed time (sec):   131902.861
  
                   Maximum memory used (kb):           0.
                   Average memory used (kb):           0.
  
                          Minor page faults:   -266276014
                          Major page faults:            8
                 Voluntary context switches:       905615
